data_2lfh_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 2lfh _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 ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.734 0.778 . . . . 73.32 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.45 -35.07 73.36 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 114.469 -1.241 . . . . 64.4 111.281 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.439 ' HB2' HG23 ' B' ' 52' ' ' VAL . 22.4 ttm -53.91 -44.56 70.66 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.899 1.28 . . . . 73.43 112.413 173.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -65.49 -40.48 93.11 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 122.997 0.519 . . . . 73.01 111.411 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -61.27 -43.61 98.59 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.127 0.489 . . . . 74.32 111.192 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.44 -47.64 78.3 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.426 -0.806 . . . . 62.15 112.275 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.36 -32.28 73.05 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.232 0.827 . . . . 74.53 113.232 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -63.11 -52.68 61.62 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.824 0.449 . . . . 75.02 110.634 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -65.8 -32.27 73.7 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.051 0.941 . . . . 72.03 112.727 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 40' ' ' VAL . 74.9 mt -60.81 -55.01 38.23 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.937 0.495 . . . . 74.02 111.032 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.29 -18.68 51.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.665 0.987 . . . . 75.2 113.665 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.32 -34.56 21.83 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.038 0.535 . . . . 74.52 110.887 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.5 mt -78.46 -29.53 46.94 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.326 0.65 . . . . 72.13 111.509 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 36' ' ' LEU . 57.3 t -86.58 109.93 27.86 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 123.858 0.863 . . . . 72.42 110.228 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.64 -10.71 25.47 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.932 2.421 . . . . 74.53 113.92 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.65 29.08 3.36 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 115.424 0.929 . . . . 55.45 115.424 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.29 124.26 56.21 Favored Pre-proline 0 N--CA 1.484 1.229 0 CA-C-N 117.436 0.618 . . . . 73.44 109.91 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -71.28 139.78 35.79 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.771 2.314 . . . . 74.42 112.752 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -65.07 114.48 4.64 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.117 0.567 . . . . 74.01 111.535 177.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.76 16.87 14.33 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 116.217 -0.447 . . . . 70.11 113.87 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -114.84 140.09 49.23 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 117.603 0.701 . . . . 73.43 111.53 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.33 -43.8 11.87 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.83 -0.804 . . . . 75.4 108.83 173.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 HH11 ' A' ' 57' ' ' ARG . 76.2 mt 69.99 141.38 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 125.634 1.574 . . . . 73.25 112.095 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.401 ' HG ' ' HG3' ' A' ' 53' ' ' GLU . 59.0 p -80.38 162.54 24.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.746 0.418 . . . . 74.44 111.272 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.55 -38.19 68.99 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.196 0.998 . . . . 73.11 112.843 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.525 HG23 ' HG2' ' B' ' 29' ' ' MET . 6.6 t -74.99 -41.1 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 122.985 0.514 . . . . 74.13 111.698 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HG3' ' HG ' ' A' ' 50' ' ' SER . 36.0 mt-10 -54.08 -41.34 68.11 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.265 0.626 . . . . 65.43 112.18 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' O ' HG21 ' A' ' 58' ' ' VAL . 63.4 mt -56.4 -51.09 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 O-C-N 123.932 0.77 . . . . 74.2 110.775 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.39 -50.65 64.7 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.058 0.943 . . . . 74.24 112.7 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.12 -44.07 97.45 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.937 -1.029 . . . . 75.4 110.725 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.468 HH11 HD13 ' A' ' 49' ' ' LEU . 28.6 ttm180 -75.6 -24.07 56.52 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.618 1.167 . . . . 73.3 112.092 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 54' ' ' ILE . 53.6 t -70.66 -39.11 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.301 0.641 . . . . 62.23 109.757 171.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.706 HG21 ' HE ' ' B' ' 35' ' ' ARG . 77.5 mt -62.31 -45.68 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.797 0.439 . . . . 73.04 110.962 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -55.7 -43.75 76.74 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.188 0.595 . . . . 64.44 111.451 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -56.94 -46.65 81.92 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.123 0.969 . . . . 75.12 112.092 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 58' ' ' VAL . 62.5 mt -71.65 -27.26 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 122.752 0.421 . . . . 74.1 111.706 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 95.0 mt -59.36 -43.7 92.81 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.027 0.531 . . . . 73.42 111.701 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.82 -33.81 76.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 74.23 112.334 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.03 -35.08 66.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.241 0.616 . . . . 74.44 111.566 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 123.615 0.766 . . . . 73.03 111.507 -179.399 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.536 0.684 . . . . 53.21 109.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.94 -31.12 68.41 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.199 1.0 . . . . 63.21 113.001 -164.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.525 ' HG2' HG23 ' A' ' 52' ' ' VAL . 32.6 mtp -60.42 -46.77 88.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.875 0.47 . . . . 74.34 111.439 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.465 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 31.2 m-80 -72.68 -26.51 61.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.1 0.96 . . . . 73.13 112.047 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.26 -40.46 97.48 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.862 0.465 . . . . 74.03 110.964 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.28 -41.5 80.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.012 0.525 . . . . 64.13 111.447 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 17.8 m-85 -64.27 -36.47 84.21 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.02 0.928 . . . . 74.35 112.653 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 44.4 t -65.81 -45.68 81.44 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.809 0.444 . . . . 65.35 110.187 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.706 ' HE ' HG21 ' A' ' 59' ' ' ILE . 25.0 ttp180 -65.51 -26.04 67.73 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.867 0.867 . . . . 75.44 112.104 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 40' ' ' VAL . 90.6 mt -66.77 -51.55 54.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.988 0.515 . . . . 75.55 110.609 167.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.529 HH21 HD11 ' B' ' 54' ' ' ILE . 99.6 mtt180 -56.15 -32.48 64.31 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.054 0.941 . . . . 73.11 112.908 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.5 mm-40 -59.67 -37.11 77.87 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.686 0.794 . . . . 74.32 110.983 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.41 -3.12 47.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.88 0.872 . . . . 73.33 112.661 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 36' ' ' LEU . 45.6 t -101.06 106.16 43.02 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.867 0.467 . . . . 74.02 110.894 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.57 13.35 2.71 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.449 2.766 . . . . 62.42 113.111 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.49 -15.09 45.01 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.382 0.515 . . . . 75.13 114.247 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.9 131.6 56.65 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.362 0.665 . . . . 72.14 111.014 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.14 -69.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 123.083 2.522 . . . . 75.21 113.834 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -179.13 -76.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.906 0.882 . . . . 75.32 109.621 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.01 66.0 0.4 Allowed Glycine 0 C--N 1.353 1.484 0 N-CA-C 111.514 -0.634 . . . . 52.52 111.514 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -102.59 172.05 7.08 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.647 0.779 . . . . 71.25 111.074 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -74.09 92.82 2.2 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.252 0.621 . . . . 75.24 110.905 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -114.25 102.97 10.63 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.366 0.667 . . . . 73.4 110.813 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 83.3 p -71.12 164.62 25.25 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.912 -0.403 . . . . 73.14 109.912 165.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.58 -29.66 59.44 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.021 0.528 . . . . 64.14 111.64 172.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 29' ' ' MET . 43.7 t -72.44 -51.82 27.01 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 124.001 0.92 . . . . 64.53 112.331 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.52 -26.85 66.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.269 0.47 . . . . 73.01 112.269 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.529 HD11 HH21 ' B' ' 37' ' ' ARG . 87.5 mt -58.45 -50.3 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 122.483 0.313 . . . . 73.43 110.495 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.99 -48.53 70.3 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.741 0.816 . . . . 75.43 111.722 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.75 -45.09 95.43 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.247 1.019 . . . . 73.32 111.556 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -75.02 -25.09 58.5 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.482 0.713 . . . . 72.42 112.363 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.24 -38.1 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.719 -0.474 . . . . 74.22 109.719 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 73.8 mt -62.47 -47.46 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 N-CA-C 110.209 -0.293 . . . . 73.04 110.209 172.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.54 -39.26 73.09 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.76 0.824 . . . . 73.3 111.748 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.3 -46.73 89.07 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.026 -0.988 . . . . 73.42 111.507 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.76 -27.74 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.551 0 CA-C-N 115.663 -0.698 . . . . 74.23 111.127 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 95.4 mt -67.87 -29.34 68.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.389 0.676 . . . . 75.2 111.333 176.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.54 -36.85 76.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.276 0.63 . . . . 74.45 110.64 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -79.15 -33.99 43.65 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.65 0.78 . . . . 75.2 112.572 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -87.6 -33.88 18.71 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.891 0.877 . . . . 75.45 111.665 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t 57.55 81.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.109 1.364 . . . . 73.12 111.103 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 124.111 0.965 . . . . 63.21 110.695 -176.273 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 120.869 0.366 . . . . 72.44 111.7 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -54.62 -43.05 71.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.652 0.781 . . . . 73.25 110.046 170.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.586 ' HG2' HG22 ' B' ' 52' ' ' VAL . 38.6 mtp -58.58 -49.12 78.62 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.526 -0.761 . . . . 74.33 111.576 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -70.97 -29.67 65.73 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.296 0.638 . . . . 73.54 111.646 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.68 -39.83 95.29 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.414 0.686 . . . . 71.24 110.346 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.23 -38.56 81.99 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.78 0.832 . . . . 72.41 112.088 173.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.94 -30.09 67.61 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.031 0.932 . . . . 73.21 112.908 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 m -58.36 -47.29 84.27 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.22 0.608 . . . . 71.32 111.322 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -71.95 -25.2 61.79 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.142 0.793 . . . . 75.23 113.142 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD11 HD23 ' B' ' 55' ' ' LEU . 67.8 mt -66.99 -19.73 65.76 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.742 0.417 . . . . 62.44 111.765 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -89.91 -30.61 17.74 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.898 -0.501 . . . . 72.52 111.902 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' SER . 8.0 mm-40 -72.33 -44.45 62.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.679 0.752 . . . . 73.33 111.288 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' B' ' 62' ' ' ILE . 87.5 mt -87.27 -1.49 57.94 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.788 -1.096 . . . . 74.32 112.76 -172.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 61' ' ' TYR . 77.1 t -111.39 105.34 56.84 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.515 0.726 . . . . 75.04 111.221 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.49 -15.66 30.85 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.169 2.579 . . . . 63.14 113.343 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.25 -26.6 64.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.451 0.548 . . . . 73.1 114.245 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.85 124.06 62.21 Favored Pre-proline 0 CA--C 1.565 1.556 0 C-N-CA 123.323 0.649 . . . . 74.14 110.594 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.42 -173.75 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.686 2.257 . . . . 73.55 113.731 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -60.77 103.8 0.29 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.48 0.712 . . . . 73.12 111.057 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.25 -109.83 3.06 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.885 -0.598 . . . . 53.34 112.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 m 64.66 115.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.115 1.366 . . . . 61.03 113.204 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -78.88 94.78 5.26 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.471 0.708 . . . . 74.33 110.138 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.72 134.79 41.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.769 0.827 . . . . 73.42 111.495 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -64.96 157.08 29.14 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.842 0.457 . . . . 72.11 109.997 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.47 -28.24 69.15 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.758 0.423 . . . . 74.45 112.116 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.5 t -72.13 -47.4 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 122.992 0.517 . . . . 73.5 110.653 171.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -55.77 -34.49 65.29 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.376 0.67 . . . . 74.21 111.913 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.8 mt -59.48 -50.36 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.351 0.66 . . . . 74.5 110.94 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.698 HD21 HD12 ' B' ' 36' ' ' LEU . 89.0 mt -57.55 -45.37 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.29 0.636 . . . . 75.14 111.67 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -34.2 77.67 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.153 0.981 . . . . 72.14 112.116 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.47 87.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.29 0.636 . . . . 63.0 111.061 172.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 54' ' ' ILE . 61.6 t -67.76 -39.8 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 123.174 0.59 . . . . 74.55 111.283 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.9 mt -58.52 -57.41 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.056 0.542 . . . . 75.44 110.373 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.61 -27.6 69.34 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.348 0.659 . . . . 73.31 112.657 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.572 ' HB2' HG11 ' A' ' 40' ' ' VAL . 24.1 t80 -61.47 -55.57 29.77 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.408 0.683 . . . . 73.32 111.362 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.576 ' HB ' HD13 ' B' ' 39' ' ' LEU . 45.9 mt -68.5 -31.24 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 C-N-CA 122.707 0.403 . . . . 75.5 110.951 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.27 -42.9 99.17 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.39 0.676 . . . . 74.03 111.535 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.13 -36.56 84.01 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.43 0.692 . . . . 74.41 111.823 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -64.36 -47.12 80.51 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.19 0.596 . . . . 74.02 112.228 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 . . . . . 0 N--CA 1.488 1.464 0 CA-C-N 115.405 -0.816 . . . . 63.15 112.53 -168.74 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.41 0.624 . . . . 74.43 111.986 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.07 -38.02 64.83 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 114.808 -1.087 . . . . 74.25 111.493 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.602 ' HG2' HG22 ' A' ' 52' ' ' VAL . 44.6 mtp -65.59 -37.11 85.7 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.516 -0.765 . . . . 74.42 112.003 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -65.35 -36.13 83.08 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.319 0.648 . . . . 73.42 110.892 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -65.83 -37.23 85.68 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.948 0.499 . . . . 74.31 110.958 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -67.48 -37.46 82.92 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.081 0.552 . . . . 75.22 111.952 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.38 -35.11 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.895 0.878 . . . . 75.52 111.795 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.1 t -60.63 -48.77 80.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.243 0.617 . . . . 61.24 110.675 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.21 -36.28 77.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.055 0.942 . . . . 75.34 112.565 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.698 HD12 HD21 ' A' ' 55' ' ' LEU . 80.5 mt -58.18 -55.87 29.34 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.781 -0.452 . . . . 72.33 109.781 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.28 -21.88 65.57 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.427 0.899 . . . . 74.52 113.427 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.02 -34.29 50.71 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.338 0.589 . . . . 74.25 110.483 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.576 HD13 ' HB ' ' A' ' 62' ' ' ILE . 97.1 mt -87.85 -18.87 28.29 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.141 0.976 . . . . 74.55 112.314 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 36' ' ' LEU . 46.0 t -105.34 100.53 26.22 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 123.717 0.807 . . . . 72.44 110.767 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.2 -7.46 16.15 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.822 2.348 . . . . 74.52 113.124 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.32 19.62 8.18 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.815 0.686 . . . . 75.35 114.815 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.78 131.82 85.59 Favored Pre-proline 0 CA--C 1.565 1.541 0 C-N-CA 123.471 0.708 . . . . 64.12 110.57 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.437 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 12.2 Cg_endo -53.86 156.48 12.2 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.323 2.682 . . . . 75.32 114.564 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.5 108.03 0.89 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.331 1.053 . . . . 74.53 112.435 -170.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.84 2.42 61.22 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 114.921 0.729 . . . . 60.43 114.921 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.437 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 26.1 m -89.83 128.04 36.09 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.265 0.626 . . . . 55.54 110.536 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -78.59 -29.89 46.35 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.37 0.668 . . . . 75.25 112.12 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.48 121.31 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.851 1.261 . . . . 73.43 110.842 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.0 m -66.51 -64.05 0.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.153 0.427 . . . . 54.52 112.153 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -161.31 -55.65 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.43 0.53 . . . . 71.03 112.43 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.586 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.0 t -73.42 -37.58 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 121.722 0.772 . . . . 74.21 110.69 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.46 -29.35 67.74 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.135 -1.393 . . . . 70.44 111.422 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -65.71 -50.14 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.333 0.653 . . . . 75.0 110.63 172.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.573 HD23 HD11 ' A' ' 36' ' ' LEU . 98.4 mt -59.59 -48.82 80.16 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.299 0.64 . . . . 70.04 112.283 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.41 -34.79 78.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.616 0.767 . . . . 72.2 111.72 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.85 -40.58 96.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.412 0.685 . . . . 74.54 111.085 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.406 ' O ' HG13 ' B' ' 62' ' ' ILE . 73.4 t -67.58 -45.18 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.728 0.811 . . . . 74.44 111.387 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.92 -53.14 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 122.898 0.479 . . . . 74.43 110.687 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.25 -40.18 81.11 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.95 0.9 . . . . 62.33 111.83 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.416 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 70.2 t80 -56.95 -50.58 72.19 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.416 1.087 . . . . 74.03 111.248 176.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.643 HG21 ' HB3' ' A' ' 39' ' ' LEU . 77.9 mt -65.01 -40.9 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.782 0.833 . . . . 73.42 111.578 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.52 -41.65 98.99 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.411 0.684 . . . . 74.11 111.306 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.4 -29.84 70.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.956 0.902 . . . . 75.11 111.844 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 76.1 mt -75.39 -54.8 6.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.917 0.487 . . . . 72.13 111.579 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -101.32 -90.67 0.33 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.243 0.617 . . . . 71.32 111.664 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 m -109.88 120.09 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.736 0.814 . . . . 61.32 111.32 -168.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 118.885 -0.579 . . . . 74.54 111.867 -179.194 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 112.867 0.691 . . . . 71.13 112.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.3 -39.59 68.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.386 0.674 . . . . 75.02 110.065 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.635 ' HG2' HG22 ' B' ' 52' ' ' VAL . 46.7 mtp -62.07 -36.56 82.04 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.265 -0.879 . . . . 72.34 111.691 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.99 -41.36 87.44 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.728 0.811 . . . . 74.24 111.788 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -73.03 -30.51 63.79 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.824 0.45 . . . . 72.24 111.636 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' NE2' ' B' ' 56' ' ' GLN . 71.3 m -65.61 -41.56 92.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.975 0.51 . . . . 63.43 110.944 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -68.88 -33.29 73.54 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.441 1.096 . . . . 75.43 111.99 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 44.3 t -62.34 -48.63 78.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.32 0.648 . . . . 71.41 110.246 172.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.154 0.982 . . . . 75.14 113.108 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 HG21 ' A' ' 58' ' ' VAL . 96.9 mt -55.48 -55.24 34.04 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.703 0.627 . . . . 75.4 110.147 169.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.38 -27.08 65.65 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.803 1.241 . . . . 73.34 112.754 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' SER . 13.6 mm-40 -71.04 -41.19 71.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.239 0.542 . . . . 74.5 110.926 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.4 -23.36 37.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.153 -0.931 . . . . 75.24 111.622 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' LEU . 48.5 t -92.41 109.06 35.7 Favored Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 123.637 0.775 . . . . 72.03 110.853 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -83.42 -5.62 10.96 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.593 2.196 . . . . 75.44 113.043 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.72 49.84 4.3 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 123.147 0.403 . . . . 73.54 113.494 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.85 112.44 55.91 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.984 0.914 . . . . 73.43 109.735 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 14.2 Cg_exo -69.61 122.54 9.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.643 2.229 . . . . 64.32 111.825 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -72.09 119.27 16.04 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.373 0.669 . . . . 72.35 110.87 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.95 -15.66 33.64 Favored Glycine 0 N--CA 1.479 1.507 0 CA-C-N 116.253 -0.431 . . . . 53.33 113.083 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 44' ' ' PRO . 54.4 m -73.37 -49.74 25.66 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.839 0.856 . . . . 63.2 112.238 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 67.75 130.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.071 1.348 . . . . 54.2 111.865 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt -109.56 132.11 54.44 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.271 0.629 . . . . 74.11 111.457 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.6 p -83.06 176.36 9.3 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 123.023 0.529 . . . . 62.31 109.707 166.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.13 -34.38 71.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 117.966 0.348 . . . . 74.34 111.56 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' B' ' 29' ' ' MET . 16.4 t -70.46 -46.16 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.869 0.468 . . . . 73.44 111.157 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 42.1 mm-40 -61.3 -38.48 86.96 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.295 0.638 . . . . 73.33 111.808 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.75 -47.73 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.204 0.602 . . . . 63.14 110.783 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -49.52 -46.22 48.24 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.169 0.588 . . . . 74.23 111.511 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -67.83 -40.21 83.8 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.135 -0.939 . . . . 72.14 112.196 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 13.0 mmp_? -67.36 -32.77 73.93 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 122.985 0.514 . . . . 73.13 111.929 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 36' ' ' LEU . 91.5 t -69.18 -41.32 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 123.261 0.624 . . . . 71.54 110.715 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 95.6 mt -57.75 -50.67 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 122.583 0.353 . . . . 74.43 110.543 173.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -54.38 -46.1 72.97 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.628 0.771 . . . . 71.15 111.908 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.45 -48.41 79.25 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.416 1.086 . . . . 73.54 112.167 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' B' ' 39' ' ' LEU . 64.5 mt -67.94 -30.41 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 122.792 0.437 . . . . 75.21 110.705 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 96.9 mt -65.87 -33.11 75.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.649 0.379 . . . . 72.11 111.494 173.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.3 -34.64 77.8 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.105 0.562 . . . . 72.22 111.902 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.62 -33.4 72.59 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.258 0.623 . . . . 71.34 111.472 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.515 HE22 HD21 ' B' ' 39' ' ' LEU . 42.1 mt-30 . . . . . 0 N--CA 1.481 1.108 0 C-N-CA 123.846 0.858 . . . . 73.42 111.349 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 114.48 1.289 . . . . 74.34 114.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.89 -34.38 28.07 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 124.038 0.935 . . . . 65.42 110.91 169.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.2 mtp -64.56 -45.71 85.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.967 0.907 . . . . 72.22 111.58 175.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.5 -42.78 99.73 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.393 1.077 . . . . 72.23 112.254 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -64.24 -36.09 82.96 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.861 0.464 . . . . 73.43 111.831 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.53 -39.82 80.99 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 122.868 0.467 . . . . 75.32 111.624 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . 0.453 ' HD1' HG21 ' B' ' 54' ' ' ILE . 14.8 m-85 -66.38 -34.42 77.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.805 0.842 . . . . 62.21 112.072 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -57.95 -51.89 67.76 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.304 0.642 . . . . 71.42 110.318 173.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 2.3 mmp_? -61.66 -41.1 97.07 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.008 -0.996 . . . . 74.01 112.517 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 40' ' ' VAL . 85.5 mt -56.67 -51.3 69.27 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 117.988 0.358 . . . . 73.12 110.731 174.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -55.5 -31.2 61.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.634 0.773 . . . . 74.24 112.398 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.02 -31.79 34.45 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.917 0.487 . . . . 74.51 111.542 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.515 HD21 HE22 ' A' ' 66' ' ' GLN . 95.8 mt -83.61 -15.81 47.64 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.834 0.854 . . . . 75.43 111.986 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.3 t -86.11 108.33 16.8 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 109.613 -0.514 . . . . 73.51 109.613 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.5 16.1 2.04 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 123.027 2.485 . . . . 71.45 113.787 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.97 36.0 2.61 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 113.72 0.248 . . . . 72.42 113.72 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.92 115.68 65.71 Favored Pre-proline 0 CA--C 1.561 1.401 0 C-N-CA 123.136 0.575 . . . . 64.54 110.69 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.03 140.95 51.43 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.679 2.253 . . . . 74.3 112.378 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 106.7 2.47 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.218 0.607 . . . . 72.21 110.429 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.59 -22.07 6.6 Favored Glycine 0 N--CA 1.477 1.41 0 CA-C-N 116.076 -0.511 . . . . 73.14 112.714 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -74.76 100.7 4.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.604 0.762 . . . . 72.01 110.813 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.3 101.17 3.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.416 0.686 . . . . 71.25 110.732 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.92 108.3 6.66 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.061 0.544 . . . . 75.43 110.993 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.24 163.21 13.2 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.207 0.603 . . . . 73.02 110.731 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.89 -47.21 52.13 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.07 0.948 . . . . 74.41 113.058 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.635 HG22 ' HG2' ' A' ' 29' ' ' MET . 9.1 t -72.58 -41.88 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.796 -0.638 . . . . 72.12 111.142 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -59.85 -29.21 68.13 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.043 0.937 . . . . 74.22 113.243 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.453 HG21 ' HD1' ' B' ' 33' ' ' TYR . 95.7 mt -59.93 -52.6 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.191 0.596 . . . . 73.4 109.99 170.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -41.2 89.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.52 111.422 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' SG ' ' A' ' 32' ' ' CYS . 82.5 mm-40 -60.26 -41.87 94.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.947 0.899 . . . . 74.12 111.938 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -69.14 -32.72 72.27 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.996 0.518 . . . . 73.51 111.837 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -73.12 -48.09 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 122.745 0.418 . . . . 73.02 111.696 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -58.55 -50.12 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 123.096 0.558 . . . . 73.53 110.424 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.79 -36.37 78.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.345 1.058 . . . . 64.22 112.181 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.42 -51.02 71.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.114 0.966 . . . . 74.12 111.597 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.36 -35.75 68.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 123.111 0.564 . . . . 70.42 111.285 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.63 ' HB3' HG21 ' B' ' 68' ' ' VAL . 86.6 mt -67.85 -29.78 69.01 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.687 0.795 . . . . 73.51 112.045 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.37 -36.02 78.58 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.082 0.553 . . . . 71.11 110.911 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.92 -48.68 43.74 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.529 0.68 . . . . 74.45 110.757 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.43 -160.83 0.68 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.385 1.074 . . . . 72.41 110.445 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 m -94.78 138.95 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 O-C-N 121.894 -0.504 . . . . 72.23 110.771 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' B' ' 63' ' ' LEU . 49.1 t . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.051 0.54 . . . . 75.22 110.298 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 113.0 0.741 . . . . 74.03 113.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -55.67 -42.6 75.34 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.835 0.854 . . . . 74.3 112.225 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ttm -60.55 -49.16 78.67 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.76 0.824 . . . . 71.43 111.689 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -66.97 -31.75 72.54 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.478 0.711 . . . . 73.54 111.754 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -65.9 -51.07 61.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.43 1.092 . . . . 73.13 109.88 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.36 -42.92 92.68 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.493 -1.23 . . . . 75.11 111.672 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.02 -39.06 93.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.76 0.824 . . . . 74.32 113.079 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 m -60.07 -47.77 84.5 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.988 0.423 . . . . 74.23 110.491 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.81 -36.74 83.06 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.217 -0.901 . . . . 74.43 112.348 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 40' ' ' VAL . 62.7 mt -60.19 -52.47 65.18 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.838 0.455 . . . . 74.23 110.676 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 43' ' ' VAL . 44.3 ttt180 -55.22 -27.35 45.48 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.355 1.062 . . . . 73.23 112.618 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.91 -40.39 20.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.053 0.941 . . . . 73.25 111.417 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 ' HB3' HG23 ' B' ' 62' ' ' ILE . 96.3 mt -79.22 -7.95 58.64 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.563 0.745 . . . . 65.34 112.303 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG13 ' HB2' ' A' ' 61' ' ' TYR . 58.2 t -104.31 98.99 15.53 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.645 0.778 . . . . 73.43 111.058 175.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.22 142.66 50.95 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.403 2.069 . . . . 75.02 110.851 167.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.01 -21.4 15.78 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-N 116.454 -0.339 . . . . 73.04 112.428 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 37' ' ' ARG . 87.6 t -67.12 121.42 78.24 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.639 0.376 . . . . 71.33 110.139 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 112.98 3.47 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.529 2.153 . . . . 65.32 112.227 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -69.18 91.72 0.53 Allowed 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 109.269 -0.641 . . . . 74.25 109.269 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 149.25 -35.08 1.07 Allowed Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.216 -0.902 . . . . 72.04 111.206 -170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -81.46 130.72 35.15 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.402 0.681 . . . . 72.14 109.941 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -67.6 -44.56 77.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.844 0.683 . . . . 74.42 112.844 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt 62.15 -167.03 0.21 Allowed 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 124.099 0.96 . . . . 73.35 111.955 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.595 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 47.2 t -146.57 172.24 13.87 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.134 0.974 . . . . 70.54 109.782 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.814 0.846 . . . . 75.53 111.699 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.623 HG23 ' HG2' ' B' ' 29' ' ' MET . 3.4 t -72.24 -42.05 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 115.584 -0.734 . . . . 73.42 110.884 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' HB2' ' H ' ' A' ' 50' ' ' SER . 25.5 mm-40 -58.94 -35.32 72.92 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.649 0.78 . . . . 73.51 112.597 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 58' ' ' VAL . 79.5 mt -61.27 -49.59 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 110.029 -0.36 . . . . 75.35 110.029 173.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.37 -45.44 69.21 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.523 0.729 . . . . 73.42 111.848 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -60.09 -49.1 78.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.475 0.71 . . . . 70.35 110.868 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -61.18 -33.79 74.01 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.986 0.914 . . . . 74.44 112.177 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 54' ' ' ILE . 83.6 t -68.29 -42.98 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.17 0.588 . . . . 75.14 110.838 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.95 -47.69 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.739 0.416 . . . . 74.01 110.57 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.97 -42.98 77.11 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.68 0.792 . . . . 62.22 111.24 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' HB2' HG13 ' A' ' 40' ' ' VAL . 64.7 t80 -56.03 -50.04 72.03 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.239 1.016 . . . . 75.42 111.503 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 58' ' ' VAL . 67.8 mt -62.94 -38.42 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.293 0 C-N-CA 123.274 0.63 . . . . 74.53 111.06 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 -36.49 83.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.264 0.626 . . . . 73.21 112.031 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.04 -31.03 64.16 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.393 0.677 . . . . 75.42 111.962 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 78.6 mt -64.01 -36.25 83.38 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.316 0.579 . . . . 73.22 111.057 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 CA--C 1.553 1.075 0 CA-C-N 115.215 -0.902 . . . . 72.02 111.132 177.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 111.94 0.348 . . . . 65.25 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -51.61 -33.45 33.13 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.279 0.632 . . . . 63.31 111.369 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.623 ' HG2' HG23 ' A' ' 52' ' ' VAL . 25.0 mtp -58.53 -49.87 75.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 114.884 -1.053 . . . . 75.3 110.957 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -62.92 -38.04 89.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.973 0.909 . . . . 74.31 111.764 -176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -67.63 -34.35 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.91 0.484 . . . . 63.53 111.491 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.74 -38.63 87.04 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.319 -0.4 . . . . 70.13 111.085 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -67.75 -29.78 69.08 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.173 0.989 . . . . 73.02 112.01 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 55.8 m -61.41 -46.47 90.0 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.281 0.632 . . . . 64.4 109.998 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.3 -43.19 95.49 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.363 0.665 . . . . 75.33 112.463 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.15 -17.86 64.99 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.001 0.52 . . . . 71.32 112.131 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -86.24 -39.16 16.85 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.229 0.612 . . . . 74.24 111.549 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 34' ' ' SER . 63.2 mm-40 -86.67 -39.4 16.1 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 112.896 0.702 . . . . 74.55 112.896 -170.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -76.11 -19.9 58.12 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.635 0.774 . . . . 60.02 111.596 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -93.32 109.76 42.3 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 123.252 0.621 . . . . 74.21 109.424 174.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.79 14.0 1.98 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.44 114.389 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.52 1.17 61.84 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-O 119.675 -0.514 . . . . 70.1 114.09 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -81.43 124.92 79.92 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-N 117.206 0.503 . . . . 75.04 112.159 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.33 143.73 48.96 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.862 2.375 . . . . 74.23 112.433 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -69.23 96.09 0.81 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.437 0.695 . . . . 73.35 109.456 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.87 102.91 1.0 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 110.927 -0.869 . . . . 71.31 110.927 -169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -153.6 174.92 13.83 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.613 0.765 . . . . 73.34 111.84 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -102.54 28.53 5.94 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.013 0.925 . . . . 70.12 112.442 -171.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.9 115.59 14.67 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.758 0.651 . . . . 74.03 112.758 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' B' ' 53' ' ' GLU . 54.7 p -84.8 175.88 8.87 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.458 -0.571 . . . . 63.51 109.458 166.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.0 -35.75 75.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.11 0.564 . . . . 74.34 111.832 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.22 -46.43 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 122.742 0.417 . . . . 73.11 110.563 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 15.2 mm-40 -58.75 -38.19 77.89 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.584 0.754 . . . . 73.31 111.953 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.492 HG12 HH21 ' B' ' 57' ' ' ARG . 84.9 mt -59.62 -48.04 88.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.608 0.763 . . . . 71.34 111.34 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.5 -43.6 71.95 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.567 0.747 . . . . 75.42 112.233 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -60.02 -48.87 79.91 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.321 -0.854 . . . . 61.54 111.025 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.492 HH21 HG12 ' B' ' 54' ' ' ILE . 37.3 mtm105 -60.25 -38.39 83.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.633 0.773 . . . . 62.53 112.476 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.415 HG11 HG12 ' A' ' 58' ' ' VAL . 95.3 t -64.67 -39.73 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.166 0.586 . . . . 74.34 110.855 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.02 -50.04 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 122.779 0.432 . . . . 61.24 110.504 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.55 -34.49 74.23 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.379 0.672 . . . . 72.03 112.132 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.25 -49.27 70.29 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.804 0.842 . . . . 74.14 110.875 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.48 HG23 ' HB3' ' A' ' 39' ' ' LEU . 84.3 mt -62.35 -54.9 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 123.434 0.693 . . . . 74.32 110.687 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.12 -29.69 68.78 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.938 0.895 . . . . 70.41 112.68 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.76 -45.67 91.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.521 0.728 . . . . 74.13 111.288 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.72 -39.53 91.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.204 0.602 . . . . 72.41 111.352 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 14.9 mm100 -61.98 -58.07 9.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.027 0.931 . . . . 70.4 112.386 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.77 160.52 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.447 0.699 . . . . 73.55 112.244 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.857 0.863 . . . . 74.21 110.429 177.744 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.946 0.403 . . . . 74.0 111.977 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.54 -38.39 77.71 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.737 0.815 . . . . 74.45 110.794 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.648 ' HB3' HG21 ' B' ' 52' ' ' VAL . 9.2 ptm -67.46 -35.33 78.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.029 -0.987 . . . . 72.44 112.132 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.96 -38.17 79.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.748 0.819 . . . . 74.03 110.588 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.38 -41.64 98.79 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.824 -0.626 . . . . 72.11 110.75 171.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -62.53 -39.02 92.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.348 0.659 . . . . 72.14 111.347 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.579 ' HH ' HD23 ' A' ' 55' ' ' LEU . 17.6 m-85 -65.24 -35.3 80.63 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.938 0.895 . . . . 75.24 112.65 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -61.74 -43.84 98.08 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.927 -0.579 . . . . 74.53 110.405 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -31.56 60.73 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.38 0.672 . . . . 73.34 112.214 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.1 mt -62.07 -45.12 94.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.032 0.378 . . . . 70.41 110.225 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -60.45 -19.45 56.45 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.339 0.866 . . . . 74.23 113.339 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.21 -39.41 15.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.167 0.587 . . . . 65.1 110.392 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' HB3' HG23 ' B' ' 62' ' ' ILE . 95.9 mt -72.66 -25.74 61.39 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.755 0.822 . . . . 75.42 111.936 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.2 t -94.5 108.66 38.23 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.711 0.804 . . . . 75.12 110.494 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.79 -9.26 17.0 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.514 2.143 . . . . 63.51 113.036 176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.03 9.08 58.43 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.501 0.56 . . . . 74.3 114.501 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.68 120.77 81.0 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 117.556 0.678 . . . . 74.23 110.847 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.23 144.42 80.95 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.669 2.246 . . . . 73.03 112.609 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -68.75 130.18 42.06 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.399 0.68 . . . . 73.12 111.574 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 40.47 94.57 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.461 0.476 . . . . 63.03 113.424 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 m -128.89 112.0 13.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.456 0.702 . . . . 74.34 110.643 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.17 95.57 4.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.237 0.615 . . . . 71.44 109.868 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.8 mt -77.11 113.62 15.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.952 -0.567 . . . . 74.33 110.163 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.44 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 42.0 t -60.93 158.31 13.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.772 0.429 . . . . 65.3 110.558 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.19 -34.93 33.84 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.187 0.81 . . . . 73.24 113.187 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' B' ' 29' ' ' MET . 5.9 t -72.15 -42.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.5 0.72 . . . . 75.23 111.027 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG2' ' HB3' ' A' ' 50' ' ' SER . 6.6 mm-40 -70.26 -27.29 64.32 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.846 0.858 . . . . 73.2 111.512 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.9 mt -64.04 -48.17 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.85 0.86 . . . . 73.23 110.056 172.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD23 ' HH ' ' A' ' 33' ' ' TYR . 95.1 mt -52.81 -48.11 67.16 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.401 0.68 . . . . 74.34 111.793 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.18 -43.91 97.77 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.951 -1.022 . . . . 71.21 111.408 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -33.81 76.66 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.512 0.725 . . . . 74.44 111.44 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' ILE . 93.1 t -68.11 -36.92 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 123.391 0.676 . . . . 71.32 110.785 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.39 -46.38 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 122.848 0.459 . . . . 73.51 110.422 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.88 -50.12 71.51 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 122.973 0.509 . . . . 72.51 111.303 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.78 -49.47 70.84 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.236 1.014 . . . . 75.24 112.26 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' B' ' 39' ' ' LEU . 63.7 mt -69.54 -37.06 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.005 0.522 . . . . 73.44 111.233 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.83 -30.77 71.06 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 112.534 0.568 . . . . 75.22 112.534 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.4 -31.04 63.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.094 0.558 . . . . 63.23 111.815 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.96 -29.89 50.08 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.33 0.586 . . . . 75.4 111.637 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 124.541 1.137 . . . . 74.1 110.129 177.385 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 CA--C 1.559 1.304 0 CA-C-O 121.267 0.556 . . . . 72.1 111.574 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.78 -39.5 58.74 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.734 1.213 . . . . 72.3 112.728 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.638 ' HG2' HG23 ' A' ' 52' ' ' VAL . 38.7 mtp -71.54 -40.7 69.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.01 -0.995 . . . . 73.23 112.169 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -64.3 -36.07 82.91 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.924 0.889 . . . . 75.5 111.915 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.4 -42.34 77.8 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.366 0.667 . . . . 74.5 111.191 173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.0 m -72.39 -39.9 67.62 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.421 0.689 . . . . 73.13 111.502 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.58 -36.21 73.61 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.83 0.852 . . . . 71.5 112.285 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 52.3 m -56.52 -49.29 75.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.516 0.726 . . . . 73.42 111.737 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -74.28 -26.33 60.13 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.36 0.504 . . . . 72.24 112.36 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.49 HD11 HD22 ' A' ' 55' ' ' LEU . 89.5 mt -58.84 -49.73 76.65 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.839 -0.43 . . . . 73.14 109.839 169.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -58.11 -28.62 64.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.848 0.684 . . . . 75.24 112.848 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.9 mm-40 -81.96 -43.33 18.2 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.313 0.645 . . . . 74.11 110.353 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' A' ' 62' ' ' ILE . 88.2 mt -78.25 -16.11 58.13 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.095 -0.957 . . . . 71.43 112.056 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 36' ' ' LEU . 41.4 t -103.66 96.64 9.23 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.701 0.8 . . . . 75.53 110.542 174.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.41 -3.26 13.6 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.552 2.168 . . . . 73.32 112.583 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.71 -4.93 77.55 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.903 -0.387 . . . . 63.35 113.82 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.674 HG22 ' HG2' ' B' ' 57' ' ' ARG . 26.9 t -79.21 122.32 84.1 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 117.187 0.493 . . . . 74.21 110.045 171.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.522 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 20.3 Cg_endo -71.73 110.56 2.92 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 121.484 1.456 . . . . 71.22 110.394 169.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.42 91.14 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.641 0.776 . . . . 73.0 110.937 -170.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.32 20.95 1.71 Allowed Glycine 0 N--CA 1.48 1.633 0 CA-C-N 115.713 -0.676 . . . . 53.33 113.21 -175.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.522 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 9.7 t -87.57 -17.32 32.25 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.708 0.803 . . . . 75.33 112.513 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 61.94 78.76 0.28 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.423 1.089 . . . . 74.14 112.069 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.506 ' HG ' HG22 ' B' ' 47' ' ' THR . 76.2 mt -101.79 142.73 32.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.499 0.72 . . . . 63.23 110.922 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 t -85.18 175.6 8.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.845 0.458 . . . . 72.4 110.147 168.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -48.83 -37.85 20.56 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.666 1.186 . . . . 75.15 113.02 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 29' ' ' MET . 24.4 t -72.04 -47.4 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 123.426 0.69 . . . . 71.22 111.797 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.426 ' HB3' HD22 ' B' ' 49' ' ' LEU . 1.7 mp0 -67.28 -26.2 66.43 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.187 0.595 . . . . 74.43 112.187 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.87 -51.73 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.772 -0.455 . . . . 75.03 109.772 168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.52 -42.66 96.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.716 0.807 . . . . 75.23 111.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.51 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -59.84 -45.49 92.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.473 0.709 . . . . 74.44 110.874 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.674 ' HG2' HG22 ' B' ' 43' ' ' VAL . 0.3 OUTLIER -66.6 -34.49 78.01 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.552 0.741 . . . . 75.04 111.486 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.4 HG13 HG12 ' A' ' 58' ' ' VAL . 72.9 t -65.14 -41.85 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.387 0.675 . . . . 72.31 110.665 173.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.54 -48.06 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 122.71 0.404 . . . . 62.44 110.431 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -57.44 -41.86 81.33 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.546 0.738 . . . . 64.52 111.774 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.49 -51.1 70.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.572 1.149 . . . . 75.2 111.69 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.57 HG23 ' HB3' ' A' ' 39' ' ' LEU . 87.9 mt -61.72 -47.42 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.363 0.665 . . . . 73.12 110.474 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -32.92 73.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.77 0.828 . . . . 75.33 112.441 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.38 -39.45 87.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.799 0.84 . . . . 72.53 110.799 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.12 -36.2 27.74 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.66 0.784 . . . . 73.12 111.81 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.59 -37.88 73.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.14 0.976 . . . . 74.25 112.084 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t 57.39 87.41 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.498 0 C-N-CA 124.421 1.089 . . . . 74.4 111.26 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 123.645 0.778 . . . . 75.04 111.113 -173.127 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 CA--C 1.563 1.471 0 N-CA-C 112.628 0.603 . . . . 75.25 112.628 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.09 -31.55 70.13 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.47 0.708 . . . . 73.04 111.151 174.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.615 ' HG2' HG22 ' B' ' 52' ' ' VAL . 34.4 mtp -66.5 -46.31 76.67 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.118 -0.946 . . . . 73.34 110.74 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -63.62 -32.28 73.7 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.709 0.803 . . . . 74.04 111.779 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -62.41 -42.81 99.72 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 122.967 0.507 . . . . 75.22 110.265 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.86 -34.2 71.41 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.147 0.579 . . . . 63.21 111.656 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.58 -29.94 70.96 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.239 1.016 . . . . 73.43 111.501 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 42.4 t -58.15 -54.6 45.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.258 0.623 . . . . 74.24 110.656 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -62.01 -38.51 88.92 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.597 0.759 . . . . 75.41 112.759 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 HD21 ' B' ' 55' ' ' LEU . 84.2 mt -56.21 -55.72 29.69 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.515 -0.55 . . . . 74.12 109.515 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HG3' HG13 ' A' ' 43' ' ' VAL . 27.1 ttp180 -53.7 -31.7 48.99 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.598 1.159 . . . . 72.21 112.674 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 34' ' ' SER . 25.9 mm-40 -75.56 -37.55 59.86 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.055 0.455 . . . . 72.3 110.949 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.79 -12.06 43.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.773 0.829 . . . . 72.12 112.03 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 36' ' ' LEU . 97.4 t -103.31 110.77 64.37 Favored Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 123.609 0.764 . . . . 73.44 112.101 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.84 -17.71 32.45 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 123.215 2.61 . . . . 60.44 113.303 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.35 -27.93 66.33 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 114.047 0.379 . . . . 64.44 114.047 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 37' ' ' ARG . 42.6 t -85.47 114.71 57.98 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 109.039 -0.726 . . . . 74.31 109.039 170.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.14 75.57 4.56 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.286 1.991 . . . . 71.31 113.16 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 59.5 -152.83 0.39 Allowed 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.136 0.975 . . . . 74.21 111.909 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.27 59.52 4.33 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 114.224 0.45 . . . . 75.23 114.224 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -76.22 -13.72 60.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.989 0.915 . . . . 74.44 110.589 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 69.8 87.31 0.12 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.204 1.402 . . . . 64.33 112.115 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.79 149.48 23.31 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.239 1.015 . . . . 74.32 109.163 172.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -72.44 -73.85 0.18 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 117.72 0.236 . . . . 61.13 111.448 -171.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.07 -54.23 0.07 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.514 0.561 . . . . 74.42 112.514 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.482 HG22 ' HE2' ' B' ' 29' ' ' MET . 14.3 t -72.75 -34.81 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.667 0.387 . . . . 72.51 111.08 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -53.43 -46.49 69.83 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.048 0.939 . . . . 72.41 111.802 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 58' ' ' VAL . 74.5 mt -58.26 -54.0 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 O-C-N 123.705 0.628 . . . . 71.14 110.25 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 96.4 mt -51.02 -47.89 61.56 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.156 0.983 . . . . 75.04 113.349 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.44 HE21 HG12 ' A' ' 52' ' ' VAL . 78.6 mt-30 -59.72 -42.52 93.29 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.575 0.75 . . . . 74.41 111.595 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -75.43 -23.58 56.98 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.578 0.751 . . . . 74.24 112.304 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 54' ' ' ILE . 88.0 t -68.1 -45.97 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 122.78 0.432 . . . . 74.22 109.857 172.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 32' ' ' CYS . 68.3 mt -55.49 -46.43 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.257 0.623 . . . . 72.23 110.061 172.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.2 -42.97 78.02 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.358 1.063 . . . . 72.31 112.067 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.81 -46.53 87.56 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.237 0.615 . . . . 74.12 111.682 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' B' ' 39' ' ' LEU . 63.1 mt -68.71 -37.03 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 C-N-CA 122.526 0.33 . . . . 74.43 111.21 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.14 -29.38 68.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.425 0.69 . . . . 75.44 111.5 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.21 77.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 122.934 0.494 . . . . 63.53 111.244 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.38 -37.48 25.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.744 0.818 . . . . 75.42 112.138 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 . . . . . 0 N--CA 1.493 1.697 0 C-N-CA 123.649 0.78 . . . . 75.22 112.87 -171.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.652 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 112.694 0.627 . . . . 73.14 112.694 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.09 -41.44 71.57 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.039 0.936 . . . . 71.3 111.564 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.482 ' HE2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -66.24 -41.39 90.09 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.666 1.186 . . . . 74.23 112.282 174.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 37.0 t-20 -70.78 -29.06 65.16 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.251 0.62 . . . . 61.21 111.257 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.615 0.721 . . . . 71.34 110.509 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.44 ' HA ' HD12 ' A' ' 59' ' ' ILE . 75.5 m -69.22 -46.23 67.9 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.867 -1.06 . . . . 64.02 111.735 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.59 -30.74 70.01 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.786 0.835 . . . . 73.22 112.365 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.49 ' HA ' ' HE ' ' B' ' 37' ' ' ARG . 23.2 t -62.65 -52.83 61.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.914 0.486 . . . . 74.05 110.572 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.35 -31.41 72.56 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.868 0.692 . . . . 73.11 112.868 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 40' ' ' VAL . 73.1 mt -58.38 -52.59 64.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 110.172 -0.307 . . . . 74.23 110.172 172.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.49 ' HE ' ' HA ' ' B' ' 34' ' ' SER . 75.8 mtm180 -59.28 -27.23 65.65 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.895 0.878 . . . . 74.22 112.837 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.33 -32.55 20.95 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.489 0.716 . . . . 71.34 111.208 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 62' ' ' ILE . 94.4 mt -87.26 -17.79 31.72 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.855 0.862 . . . . 55.31 112.286 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.664 HG12 ' HG3' ' B' ' 57' ' ' ARG . 58.1 t -93.39 106.64 21.31 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 123.275 0.63 . . . . 73.4 110.399 174.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.25 -10.48 16.3 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.822 2.348 . . . . 75.31 113.182 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.51 25.28 4.52 Favored Glycine 0 CA--C 1.54 1.627 0 N-CA-C 115.114 0.806 . . . . 71.4 115.114 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.03 120.54 70.74 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 123.333 0.653 . . . . 73.03 110.07 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.56 175.01 5.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.764 2.309 . . . . 72.1 113.9 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -88.3 105.94 17.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.229 0.612 . . . . 74.32 111.626 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.97 48.61 5.69 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 116.522 -0.308 . . . . 74.33 112.752 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -104.89 135.3 46.49 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.438 0.695 . . . . 73.44 111.874 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -102.19 91.82 4.47 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.728 0.811 . . . . 64.33 110.57 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.31 122.34 41.36 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.955 0.502 . . . . 72.03 111.204 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -73.42 172.84 10.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.355 0.662 . . . . 64.33 111.198 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.0 -46.43 21.7 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.784 1.234 . . . . 75.05 112.933 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.615 HG22 ' HG2' ' A' ' 29' ' ' MET . 3.4 t -71.63 -40.97 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 115.278 -0.874 . . . . 70.31 110.481 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.17 -26.59 66.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.731 0.812 . . . . 70.21 112.603 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.403 ' O ' HG21 ' B' ' 58' ' ' VAL . 83.3 mt -67.14 -44.89 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.798 0.439 . . . . 74.5 110.155 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 36' ' ' LEU . 93.0 mt -56.73 -48.06 78.61 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.176 0.591 . . . . 75.02 111.019 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.44 -44.5 84.78 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.217 1.007 . . . . 75.12 111.368 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.664 ' HG3' HG12 ' B' ' 40' ' ' VAL . 5.3 tpm_? -58.94 -38.18 78.41 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.663 1.185 . . . . 71.43 111.888 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 54' ' ' ILE . 85.0 t -71.81 -39.83 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.803 0.841 . . . . 73.51 111.246 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 55' ' ' LEU . 71.5 mt -62.32 -45.31 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.563 0.345 . . . . 71.33 110.247 175.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -56.89 -43.61 81.5 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.667 0.787 . . . . 71.41 111.61 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.54 ' HB2' HG13 ' B' ' 40' ' ' VAL . 39.1 t80 -57.23 -51.78 67.98 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.044 0.938 . . . . 74.33 111.99 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.497 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 69.1 mt -65.47 -46.71 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.554 0.342 . . . . 72.13 110.491 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -30.22 71.31 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.307 0.643 . . . . 73.11 112.161 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.58 -34.48 78.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.138 0.975 . . . . 75.13 110.782 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.78 -39.99 56.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.652 0.781 . . . . 64.21 111.291 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 68.8 mm-40 -72.7 138.22 46.46 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.225 0.61 . . . . 75.2 112.189 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.79 141.75 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.283 0.633 . . . . 73.31 110.117 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 CA--C 1.563 1.476 0 C-N-CA 123.684 0.794 . . . . 71.44 109.973 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 1.3 m-20 . . . . . 0 CA--C 1.56 1.35 0 N-CA-C 113.15 0.796 . . . . 74.41 113.15 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.45 -39.09 86.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.713 0.805 . . . . 72.4 111.763 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.607 ' HG2' HG22 ' B' ' 52' ' ' VAL . 29.1 mtp -64.76 -43.29 93.78 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.332 -0.395 . . . . 64.14 111.243 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.61 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 27.6 t-20 -67.57 -30.29 69.87 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.54 0.736 . . . . 74.15 111.314 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.37 -40.02 81.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.518 0.727 . . . . 72.33 110.574 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.2 m -68.12 -39.39 82.76 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.113 -0.494 . . . . 73.4 111.101 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.71 -38.49 73.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.05 0.94 . . . . 73.53 112.357 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.0 p -64.29 -40.73 96.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.981 0.513 . . . . 72.51 110.123 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HD3' HD13 ' B' ' 59' ' ' ILE . 64.8 ttt180 -64.83 -40.29 94.94 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.385 -0.825 . . . . 65.54 111.739 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.3 mt -61.55 -42.8 99.36 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.874 0.47 . . . . 75.4 111.41 174.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HE ' HD11 ' A' ' 54' ' ' ILE . 92.9 mtt180 -55.4 -28.36 53.61 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.541 0.736 . . . . 73.05 112.017 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.96 -32.59 20.02 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.959 0.903 . . . . 74.52 110.583 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.512 HD23 HE22 ' B' ' 66' ' ' GLN . 82.1 mt -85.71 -9.41 57.21 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.592 0.757 . . . . 74.03 112.966 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' LEU . 42.0 t -102.27 101.53 19.92 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 123.047 0.539 . . . . 73.31 110.348 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.81 -31.36 25.34 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.402 2.734 . . . . 74.03 113.729 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.96 66.3 3.8 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 121.37 0.428 . . . . 73.31 113.677 -175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.67 130.87 21.84 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.348 1.059 . . . . 72.1 109.924 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.8 118.54 5.52 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.443 2.096 . . . . 74.24 110.828 167.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -71.41 105.43 3.54 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.131 0.573 . . . . 73.13 110.804 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.74 35.68 1.83 Allowed Glycine 0 N--CA 1.477 1.429 0 CA-C-N 116.514 -0.312 . . . . 75.43 113.455 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 48' ' ' GLN . 20.7 m -104.73 -129.48 0.26 Allowed 'General case' 0 CA--C 1.569 1.696 0 C-N-CA 123.427 0.691 . . . . 75.44 109.164 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' H ' HG21 ' A' ' 47' ' ' THR . 96.8 mt-30 -130.43 -78.8 0.54 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 120.066 1.303 . . . . 75.31 110.561 -174.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 53' ' ' GLU . 18.2 mt 51.7 67.39 0.97 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.217 1.007 . . . . 73.24 112.268 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -78.11 -68.07 0.67 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.44 -176.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -127.28 -78.51 0.58 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.108 0.563 . . . . 55.24 111.083 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' B' ' 29' ' ' MET . 2.4 t -73.86 -34.06 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 123.817 0.847 . . . . 72.42 111.82 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 49' ' ' LEU . 27.3 mt-10 -52.0 -37.96 55.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.503 1.121 . . . . 74.51 111.884 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.46 HD11 ' HE ' ' A' ' 37' ' ' ARG . 79.9 mt -62.94 -55.14 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.749 0.82 . . . . 73.41 110.519 173.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.9 -48.46 51.59 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.124 0.97 . . . . 75.42 112.719 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.7 -44.08 93.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.959 0.904 . . . . 72.14 112.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -74.5 -24.9 59.07 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.889 0.7 . . . . 73.45 112.889 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG11 HG13 ' B' ' 58' ' ' VAL . 77.2 t -70.96 -43.07 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.571 0.348 . . . . 73.12 110.464 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.93 -48.02 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.163 0.585 . . . . 74.02 110.271 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.21 -37.6 75.13 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.184 0.994 . . . . 74.44 112.019 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.01 -52.75 61.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.273 1.029 . . . . 74.14 111.359 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.56 -43.43 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 123.016 0.526 . . . . 74.54 111.342 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.64 -35.81 77.12 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.673 0.789 . . . . 73.11 112.51 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.04 -35.83 82.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.757 0.423 . . . . 73.43 111.06 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.11 -40.54 62.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.446 0.699 . . . . 73.54 111.506 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 124.192 0.997 . . . . 61.15 111.751 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.578 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 7.9 m-20 . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 112.334 0.494 . . . . 73.25 112.334 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.15 -39.26 78.32 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 122.964 0.506 . . . . 73.23 111.563 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.538 ' HG2' HG23 ' A' ' 52' ' ' VAL . 60.1 mtp -67.29 -39.84 86.01 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.9 0.48 . . . . 72.3 111.294 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.578 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 54.4 t-20 -62.19 -48.68 78.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.463 1.105 . . . . 74.24 110.985 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -61.03 -37.99 84.54 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.161 0.584 . . . . 71.24 111.563 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.31 -43.83 89.79 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.728 -0.669 . . . . 65.43 111.904 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . 0.417 ' O ' ' HG3' ' B' ' 37' ' ' ARG . 12.2 m-85 -66.54 -37.06 84.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.377 0.671 . . . . 74.35 111.923 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -61.75 -42.82 99.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.47 0.708 . . . . 74.23 110.808 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 52.4 mtp85 -68.17 -38.24 81.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.672 0.789 . . . . 74.4 112.734 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.501 ' O ' HG23 ' B' ' 40' ' ' VAL . 86.7 mt -58.12 -47.28 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.59 0.356 . . . . 65.15 111.055 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.507 ' NH2' HD13 ' B' ' 54' ' ' ILE . 86.5 mtt-85 -55.97 -31.48 63.04 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.54 0.736 . . . . 73.34 112.655 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.3 -39.91 38.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.376 0.671 . . . . 75.34 110.85 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 35' ' ' ARG . 73.7 mt -79.93 -23.62 41.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.64 -0.709 . . . . 74.42 112.832 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 36' ' ' LEU . 19.4 t -97.26 107.32 37.67 Favored Pre-proline 0 N--CA 1.484 1.239 0 C-N-CA 122.877 0.471 . . . . 72.43 110.807 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.92 -7.43 18.31 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 123.063 2.508 . . . . 71.44 112.689 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -14.69 64.85 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.201 0.841 . . . . 74.23 115.201 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.58 116.99 60.11 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.791 0.795 . . . . 71.42 110.42 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.85 119.24 6.29 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.409 2.072 . . . . 70.31 111.95 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -55.32 104.49 0.13 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.572 0.749 . . . . 74.45 111.438 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.82 -34.91 1.65 Allowed Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 62.34 111.987 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -84.52 144.24 28.82 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.572 0.349 . . . . 71.31 110.63 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.55 -57.84 2.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.546 0.339 . . . . 71.12 111.062 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt 67.79 132.13 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 124.941 1.297 . . . . 75.1 111.921 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.7 p -100.5 -175.03 2.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.964 -0.46 . . . . 74.21 111.855 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -44.29 -52.4 7.58 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.786 1.773 . . . . 75.33 115.786 -162.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.607 HG22 ' HG2' ' A' ' 29' ' ' MET . 10.7 t -72.3 -37.93 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.37 -31.02 71.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.165 0.586 . . . . 74.41 111.793 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.507 HD13 ' NH2' ' B' ' 37' ' ' ARG . 92.0 mt -58.95 -52.38 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.192 0.597 . . . . 74.25 109.89 170.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.17 -46.77 82.5 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.36 0.664 . . . . 75.02 111.939 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.478 HE21 HG12 ' B' ' 52' ' ' VAL . 77.0 mt-30 -59.76 -40.07 86.94 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.889 0.876 . . . . 63.25 112.104 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.47 -37.83 77.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.751 0.82 . . . . 74.24 111.383 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.426 HG13 HG11 ' A' ' 58' ' ' VAL . 82.5 t -66.47 -45.7 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.541 0.736 . . . . 75.12 111.089 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 89.1 mt -55.15 -49.49 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.046 0.538 . . . . 75.22 110.295 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.87 -39.5 85.46 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.587 0.755 . . . . 53.31 112.216 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -45.9 83.56 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.843 0.857 . . . . 75.34 111.069 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.438 HG23 ' HB3' ' A' ' 39' ' ' LEU . 55.4 mt -70.71 -37.85 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.13 0.572 . . . . 71.52 111.262 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 87.3 mt -63.27 -35.28 79.84 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.414 0.686 . . . . 74.33 111.62 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.31 -41.96 98.97 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.161 0.584 . . . . 71.11 110.962 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.11 -33.53 74.68 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.218 0.607 . . . . 73.33 112.143 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.512 HE22 HD23 ' A' ' 39' ' ' LEU . 46.0 mt-30 -82.04 -60.97 2.04 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 112.932 0.716 . . . . 65.25 112.932 -176.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -87.87 10.55 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 122.517 1.151 . . . . 70.15 112.994 -165.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 CA--C 1.565 1.545 0 C-N-CA 124.331 1.052 . . . . 71.22 109.265 172.085 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 114.041 1.126 . . . . 74.31 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.48 -33.1 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.037 0.935 . . . . 61.23 111.893 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.587 ' HG2' HG23 ' B' ' 52' ' ' VAL . 25.3 mtp -60.68 -37.41 81.5 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.647 0.779 . . . . 63.43 111.606 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.82 -41.86 95.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.037 0.935 . . . . 63.42 111.296 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.5 -37.23 82.53 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.495 0.718 . . . . 63.02 111.104 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.62 -50.22 70.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.192 0.597 . . . . 71.21 110.957 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -62.43 -36.61 82.93 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.2 1.0 . . . . 72.24 112.749 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 t -60.92 -48.21 82.86 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.013 0.525 . . . . 65.44 111.307 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 HH21 HG21 ' B' ' 59' ' ' ILE . 30.2 ttp180 -74.93 -24.75 58.54 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.979 0.511 . . . . 72.35 112.192 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.0 mt -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 120.747 0.308 . . . . 75.33 110.334 169.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -59.33 -18.59 39.37 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.965 0.906 . . . . 75.32 112.886 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.22 -29.13 14.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.993 0.917 . . . . 72.21 111.428 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' B' ' 62' ' ' ILE . 82.2 mt -83.3 -27.1 30.03 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.903 0.881 . . . . 75.42 112.608 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 57' ' ' ARG . 44.6 t -87.8 109.4 26.76 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.308 0.643 . . . . 75.33 109.733 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.05 -24.62 52.23 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.927 2.418 . . . . 73.33 113.354 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.65 44.75 3.4 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 114.528 0.571 . . . . 62.11 114.528 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -96.02 110.36 51.49 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 123.289 0.635 . . . . 75.02 109.423 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.09 130.83 26.75 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.534 2.156 . . . . 73.23 111.968 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -60.79 131.4 50.58 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.285 0.634 . . . . 74.44 112.067 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.42 -3.27 63.52 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.104 0.802 . . . . 74.31 115.104 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.2 m -90.5 109.65 20.79 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 117.823 0.811 . . . . 65.32 110.541 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.46 104.82 2.86 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 121.533 0.682 . . . . 73.31 110.895 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.61 114.76 19.73 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.772 -0.649 . . . . 75.54 110.82 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB2' ' HG2' ' A' ' 53' ' ' GLU . 19.7 m -66.11 165.35 13.73 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.459 0.704 . . . . 62.15 110.784 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -38.16 69.08 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.296 0.638 . . . . 75.11 112.354 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.47 HG11 HE21 ' A' ' 56' ' ' GLN . 17.5 t -72.34 -38.74 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.125 0.57 . . . . 70.03 111.123 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' A' ' 50' ' ' SER . 23.9 mm-40 -65.85 -34.85 79.1 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.358 0.663 . . . . 74.21 111.92 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.34 -44.44 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.304 0.642 . . . . 73.55 110.273 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 HD13 ' B' ' 36' ' ' LEU . 89.3 mt -56.34 -48.18 77.29 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.265 0.626 . . . . 75.25 111.202 174.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 HE21 HG11 ' A' ' 52' ' ' VAL . 76.6 mt-30 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.105 0.962 . . . . 74.13 112.561 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 mmp_? -67.77 -38.42 83.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.491 0.716 . . . . 75.32 111.779 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.502 HG11 HG13 ' B' ' 58' ' ' VAL . 75.0 t -69.2 -45.02 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.407 0.683 . . . . 74.31 111.508 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.51 -48.73 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.296 0.639 . . . . 74.32 110.65 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.99 -31.87 72.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.244 0.617 . . . . 71.32 111.567 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.0 -48.82 77.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.582 0.753 . . . . 73.22 110.979 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' B' ' 39' ' ' LEU . 57.6 mt -71.72 -44.9 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.482 0.713 . . . . 74.22 111.117 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.59 -29.53 70.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.888 0.875 . . . . 72.33 112.423 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.25 -42.23 96.59 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.547 0.739 . . . . 61.24 110.783 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.48 -33.41 64.82 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.748 0.819 . . . . 74.23 111.733 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.483 1.211 0 C-N-CA 123.502 0.721 . . . . 64.11 110.918 177.327 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 113.558 0.947 . . . . 74.21 113.558 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.12 -35.77 69.86 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.262 0.625 . . . . 74.42 111.421 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.433 ' HE1' HG22 ' A' ' 52' ' ' VAL . 26.7 ttm -56.64 -44.94 81.76 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.967 0.907 . . . . 73.03 112.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -66.26 -38.16 87.2 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.08 0.552 . . . . 73.52 110.968 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.76 -33.11 73.35 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.147 0.579 . . . . 71.12 111.907 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 95.0 m -70.53 -41.96 71.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.308 0.643 . . . . 74.32 111.467 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -62.31 -35.19 78.29 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.672 0.789 . . . . 63.2 111.654 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.2 t -59.72 -42.75 93.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.574 0.749 . . . . 74.34 111.066 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.25 -29.11 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.052 -0.522 . . . . 74.23 112.292 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.478 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.3 mt -60.17 -45.74 92.07 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 73.55 110.123 170.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -58.24 -24.27 58.73 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.96 0.904 . . . . 75.41 113.041 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.09 -31.41 16.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.369 0.667 . . . . 75.44 111.403 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.473 ' HB3' HG23 ' A' ' 62' ' ' ILE . 96.0 mt -87.68 -15.48 37.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.848 0.859 . . . . 73.25 113.298 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 36' ' ' LEU . 20.3 t -100.03 103.85 25.22 Favored Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 122.792 0.437 . . . . 74.51 110.509 176.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.01 -11.14 15.09 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.943 2.429 . . . . 73.51 112.936 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.09 41.99 3.13 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 123.079 0.371 . . . . 75.12 113.129 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.53 110.73 52.54 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.976 0.91 . . . . 74.51 109.132 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.463 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 45.0 Cg_exo -59.06 155.98 36.5 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.983 2.456 . . . . 74.42 113.924 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.69 125.31 24.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.332 0.653 . . . . 74.4 111.004 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.73 31.45 64.08 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 114.678 0.631 . . . . 71.21 114.678 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.463 ' HB ' ' HB2' ' B' ' 44' ' ' PRO . 8.8 t -70.79 -20.11 62.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.854 0.687 . . . . 71.42 112.854 -176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.402 1.081 . . . . 72.14 111.422 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' B' ' 53' ' ' GLU . 86.4 mt -123.5 161.62 24.51 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.271 1.034 . . . . 64.12 113.513 -172.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' B' ' 53' ' ' GLU . 25.0 t -116.76 173.57 6.56 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.937 1.695 . . . . 62.43 109.327 170.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.99 -40.69 67.17 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.546 0.738 . . . . 74.34 112.016 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.587 HG23 ' HG2' ' A' ' 29' ' ' MET . 18.2 t -67.0 -45.5 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.256 0.623 . . . . 71.31 110.51 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.523 ' HB3' HD22 ' B' ' 49' ' ' LEU . 19.3 mm-40 -60.89 -34.1 74.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.031 . . . . 75.13 112.091 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.29 -53.15 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.101 0.561 . . . . 71.34 109.578 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.423 ' O ' HG13 ' B' ' 59' ' ' ILE . 95.6 mt -53.85 -41.1 67.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.623 0.769 . . . . 72.53 111.857 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.533 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -63.33 -52.04 63.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.61 0.764 . . . . 75.12 111.601 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -30.75 69.55 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 123.341 0.656 . . . . 74.45 111.757 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.502 HG13 HG11 ' A' ' 58' ' ' VAL . 56.0 t -65.99 -48.18 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.485 0.714 . . . . 63.24 110.678 173.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 55' ' ' LEU . 86.8 mt -57.47 -47.79 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.972 0.509 . . . . 72.32 110.38 176.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.14 -44.4 79.2 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.018 0.927 . . . . 72.53 111.983 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -59.2 -48.49 81.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.092 0.957 . . . . 75.31 111.8 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 39' ' ' LEU . 63.1 mt -68.97 -28.51 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 123.218 0.607 . . . . 71.01 111.371 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.15 -30.38 71.44 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.83 0.678 . . . . 54.32 112.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.51 -32.43 62.5 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.265 0.626 . . . . 72.15 111.863 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.4 mt -74.18 -35.79 64.02 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.415 0.686 . . . . 75.21 111.51 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -100.18 -177.65 3.59 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.822 1.249 . . . . 75.12 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.93 103.91 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 108.533 -0.914 . . . . 71.32 108.533 167.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.843 0.857 . . . . 72.02 112.866 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.088 -0.338 . . . . 74.33 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.46 -38.64 71.96 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.795 1.238 . . . . 75.24 112.812 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.444 ' HB2' HG22 ' B' ' 52' ' ' VAL . 4.7 ttm -64.82 -46.92 79.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.361 0.665 . . . . 75.42 111.805 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -63.45 -34.6 78.11 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 123.716 0.806 . . . . 73.34 111.037 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.23 -36.77 77.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.049 0.939 . . . . 74.34 110.974 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.18 -39.0 82.65 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.918 -0.583 . . . . 73.21 111.242 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' HD1' HG23 ' A' ' 54' ' ' ILE . 20.6 m-85 -62.82 -35.33 79.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.773 0.829 . . . . 72.1 111.58 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.4 t -60.51 -46.81 88.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.301 0.64 . . . . 74.43 110.778 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.13 -37.63 87.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.713 0.805 . . . . 75.1 112.924 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD12 HD23 ' B' ' 55' ' ' LEU . 91.9 mt -59.18 -49.03 79.41 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.903 -0.406 . . . . 74.14 109.903 175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HE ' HD11 ' A' ' 49' ' ' LEU . 63.7 mtp180 -63.43 -18.62 63.93 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 113.406 0.891 . . . . 74.54 113.406 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' SER . 53.8 mm-40 -85.17 -43.83 13.48 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.262 0.553 . . . . 72.44 110.676 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD22 HD22 ' B' ' 63' ' ' LEU . 83.6 mt -75.38 -24.04 57.18 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.043 0.937 . . . . 75.12 112.542 -175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.0 t -93.24 105.94 17.75 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 123.373 0.669 . . . . 73.03 110.223 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -84.01 3.52 7.56 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.03 2.487 . . . . 75.34 113.141 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.17 32.98 4.18 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.123 0.392 . . . . 62.33 113.962 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.15 110.91 32.29 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.715 0.806 . . . . 74.04 109.634 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.75 79.35 1.94 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 123.012 2.475 . . . . 73.41 114.892 -168.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? 53.35 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.411 1.484 . . . . 71.42 112.888 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -107.81 2.26 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-O 119.357 -0.691 . . . . 73.54 111.516 -173.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m 65.48 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.024 1.329 . . . . 53.21 113.065 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.41 -46.37 83.55 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.099 -0.376 . . . . 74.2 111.2 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD11 ' HE ' ' A' ' 37' ' ' ARG . 95.6 mt 64.65 112.58 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.996 1.318 . . . . 75.33 110.665 -168.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -62.1 150.8 37.39 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 110.329 -0.248 . . . . 74.21 110.329 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -56.2 -35.11 66.91 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.33 1.052 . . . . 74.21 112.159 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.632 HG22 ' HG2' ' B' ' 29' ' ' MET . 19.4 t -73.38 -47.0 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.094 0.557 . . . . 63.04 110.853 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -54.31 -30.26 50.54 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.423 1.089 . . . . 73.35 112.68 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 58' ' ' VAL . 74.0 mt -61.42 -55.95 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 122.827 0.451 . . . . 75.2 109.939 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD21 HD13 ' B' ' 36' ' ' LEU . 96.1 mt -56.08 -45.59 79.3 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.61 0.764 . . . . 74.24 112.207 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.83 -35.37 80.49 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.986 0.914 . . . . 72.12 111.662 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HG2' HG11 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -73.54 -30.91 63.37 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.243 0.617 . . . . 71.25 111.049 176.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 54' ' ' ILE . 69.2 t -70.66 -44.14 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.281 0.633 . . . . 74.12 110.52 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 83.7 mt -58.51 -50.18 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 122.835 0.454 . . . . 73.45 109.957 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -47.28 43.95 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.95 1.3 . . . . 75.34 111.431 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.25 -42.28 96.59 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.457 1.103 . . . . 70.43 112.339 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 58' ' ' VAL . 66.8 mt -71.73 -26.94 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 122.686 0.394 . . . . 71.34 110.691 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.2 mt -67.53 -33.47 75.13 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.032 0.533 . . . . 74.14 110.747 171.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.91 -38.81 83.4 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.631 0.772 . . . . 74.32 110.861 172.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.62 -46.27 79.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.279 0.632 . . . . 74.23 111.127 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 124.387 1.075 . . . . 75.2 111.865 -178.259 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' B' ' 30' ' ' ASN . 18.8 m-20 . . . . . 0 C--O 1.237 0.419 0 N-CA-C 107.829 -1.174 . . . . 74.21 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.31 -35.06 67.12 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 121.669 0.747 . . . . 63.41 109.887 165.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.5 mtp -67.14 -31.28 71.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.461 1.104 . . . . 71.34 112.02 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.404 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 8.8 t30 -63.77 -35.67 81.36 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.961 0.904 . . . . 75.11 111.352 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -64.04 -31.99 73.38 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.316 0.646 . . . . 75.03 111.454 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -73.82 -46.28 46.22 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.226 0.61 . . . . 74.03 111.001 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.01 -30.41 67.98 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.282 1.033 . . . . 73.14 112.289 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -59.15 -54.73 43.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.512 0.725 . . . . 65.03 110.978 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.2 -24.55 63.14 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.102 0.778 . . . . 74.14 113.102 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.524 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.8 mt -60.98 -53.13 61.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.567 -0.531 . . . . 75.31 109.567 168.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.62 -24.28 65.38 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.582 0.753 . . . . 73.04 112.906 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -86.7 -22.57 25.98 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.873 0.469 . . . . 71.41 111.893 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.5 8.31 31.35 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.041 0.756 . . . . 73.2 113.041 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.711 HG13 ' HB3' ' B' ' 57' ' ' ARG . 36.9 t -114.43 112.12 46.33 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.799 -0.563 . . . . 75.03 111.742 175.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.55 -11.91 9.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.158 2.572 . . . . 72.4 113.962 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.14 55.42 4.57 Favored Glycine 0 N--CA 1.481 1.659 0 C-N-CA 122.868 0.271 . . . . 75.42 113.153 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' B' ' 57' ' ' ARG . 72.6 t -135.85 140.07 32.43 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 124.366 1.066 . . . . 73.23 109.739 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.96 150.46 30.59 Favored 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 122.257 1.971 . . . . 74.11 112.714 167.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 5.1 mpt_? -88.03 -32.72 18.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.057 0.543 . . . . 72.4 111.118 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.13 63.87 1.2 Allowed Glycine 0 CA--C 1.537 1.417 0 CA-C-N 116.347 -0.388 . . . . 74.01 112.257 172.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -152.53 164.35 37.78 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.415 0.626 . . . . 73.24 111.816 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.8 -19.02 12.15 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.081 -0.963 . . . . 72.43 110.147 168.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.16 172.88 0.3 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.373 1.469 . . . . 74.24 111.918 -170.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 46.7 t -103.13 169.05 8.79 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.298 -0.864 . . . . 73.22 109.595 166.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -49.73 72.0 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.592 0.757 . . . . 75.41 112.689 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 29' ' ' MET . 42.0 t -71.31 -33.24 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.709 0.404 . . . . 72.42 110.977 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.1 mm-40 -57.96 -40.53 80.8 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.36 0.664 . . . . 73.2 112.175 173.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.62 -51.54 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 122.963 0.505 . . . . 75.22 110.975 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 36' ' ' LEU . 65.1 mt -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.04 0.536 . . . . 75.43 111.847 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.6 -33.52 75.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.103 0.779 . . . . 73.3 113.103 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.711 ' HB3' HG13 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -64.24 -35.56 81.22 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.201 0.455 . . . . 75.45 110.359 175.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.13 -44.23 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 123.539 0.736 . . . . 73.34 110.919 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.94 -56.84 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.756 0.822 . . . . 73.3 111.47 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.3 -31.5 72.67 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.593 0.757 . . . . 75.11 112.839 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.68 -54.86 42.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.419 0.688 . . . . 73.31 110.575 171.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.18 -43.09 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 123.894 0.878 . . . . 75.52 111.758 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.421 HD22 HD22 ' A' ' 39' ' ' LEU . 71.6 mt -53.43 -47.34 69.71 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.021 0.928 . . . . 63.35 111.824 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.72 -31.24 72.35 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.655 -0.702 . . . . 75.41 111.677 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.63 -36.39 57.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.46 0.704 . . . . 75.23 111.74 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.63 -80.27 0.17 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.394 1.078 . . . . 74.23 111.804 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.53 130.63 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.703 0.801 . . . . 74.02 111.41 -172.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 CA--C 1.569 1.685 0 C-N-CA 123.635 0.774 . . . . 73.23 111.538 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 121.55 0.69 . . . . 65.35 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.73 -39.99 74.91 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.583 1.153 . . . . 71.33 112.916 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.504 ' HB3' HG23 ' B' ' 52' ' ' VAL . 2.4 ptp -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.867 -0.606 . . . . 55.33 112.325 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.26 -36.0 82.78 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.373 0.669 . . . . 73.34 111.071 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -66.5 -38.49 87.35 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 122.641 0.376 . . . . 72.41 110.752 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.08 -31.43 71.05 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.553 0.741 . . . . 73.13 112.078 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -66.59 -39.46 88.42 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.011 0.924 . . . . 71.31 111.627 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -59.94 -45.67 91.88 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 73.5 110.501 171.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' B' ' 59' ' ' ILE . 15.5 ttt180 -64.11 -33.53 75.98 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.336 1.054 . . . . 74.24 112.393 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD13 HD22 ' B' ' 55' ' ' LEU . 86.4 mt -59.9 -56.78 17.53 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.974 0.51 . . . . 74.25 110.194 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' HD11 ' A' ' 54' ' ' ILE . 32.6 mtp180 -57.75 -21.54 41.89 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.247 1.019 . . . . 74.01 113.342 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -82.69 -29.39 29.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.756 0.822 . . . . 75.52 111.586 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.9 -8.89 24.94 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.889 0.876 . . . . 73.4 112.397 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG22 HG21 ' A' ' 58' ' ' VAL . 60.1 t -114.46 104.5 54.48 Favored Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 123.472 0.709 . . . . 73.43 110.935 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.24 -178.02 3.92 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.501 2.134 . . . . 73.11 112.606 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.43 89.91 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 116.257 -0.429 . . . . 72.24 113.339 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -82.36 116.15 62.04 Favored Pre-proline 0 CA--C 1.556 1.195 0 C-N-CA 123.771 0.828 . . . . 74.31 109.003 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.35 136.51 55.61 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.821 2.347 . . . . 73.21 112.435 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -67.74 114.23 6.17 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.727 0.811 . . . . 74.04 112.102 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.36 4.02 66.62 Favored Glycine 0 N--CA 1.474 1.207 0 CA-C-N 116.135 -0.484 . . . . 62.43 113.859 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.0 m -94.09 132.66 38.37 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.464 0.705 . . . . 71.43 110.53 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.28 -46.51 64.17 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.328 0.651 . . . . 65.14 111.479 -175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt 62.42 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.063 1.345 . . . . 63.41 113.03 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -67.01 151.04 48.39 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.09 -0.504 . . . . 72.53 110.548 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.0 -37.82 72.21 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.605 0.762 . . . . 73.41 112.867 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.14 -38.81 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.558 0.343 . . . . 74.31 111.094 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -36.58 77.57 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.173 0.589 . . . . 71.1 110.384 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 HD11 ' HD2' ' A' ' 37' ' ' ARG . 59.3 mt -63.89 -41.47 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 C-N-CA 123.068 0.547 . . . . 72.2 111.076 175.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 122.823 0.449 . . . . 75.32 111.689 173.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -68.71 -33.61 74.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.205 1.002 . . . . 73.32 111.74 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -61.27 -43.07 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.659 0.784 . . . . 72.23 110.606 170.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 HG21 HG22 ' A' ' 40' ' ' VAL . 96.7 t -64.02 -46.02 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.465 0.706 . . . . 75.11 111.223 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.26 -48.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.41 0.684 . . . . 75.45 110.713 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.1 -36.64 82.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.271 1.028 . . . . 73.2 111.232 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.75 -45.58 92.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.056 0.942 . . . . 75.24 111.508 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' B' ' 39' ' ' LEU . 60.5 mt -67.79 -36.91 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 116.294 -0.412 . . . . 73.23 110.61 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.98 -30.36 71.34 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.354 0.662 . . . . 74.35 111.696 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.11 -32.57 72.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.874 0.87 . . . . 71.32 111.145 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.94 -41.12 60.25 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.621 0.768 . . . . 72.51 111.686 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 15.0 mm100 . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 123.992 0.917 . . . . 75.54 111.469 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 121.834 0.826 . . . . 63.12 112.068 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.43 -27.75 68.78 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.595 -1.184 . . . . 73.33 110.874 176.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -55.35 30.31 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.634 0.774 . . . . 73.44 110.608 171.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.533 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 29.1 t-20 -64.47 -27.44 68.99 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.007 0.923 . . . . 75.34 111.906 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.87 -54.99 30.82 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.836 0.855 . . . . 75.14 110.643 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.11 -31.6 62.86 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.303 -0.862 . . . . 74.34 112.17 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 11.8 m-85 -61.3 -41.94 97.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.604 0.762 . . . . 73.34 112.176 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -62.66 -45.62 91.99 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.147 0.579 . . . . 73.14 110.188 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -30.85 71.91 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 124.175 0.99 . . . . 71.12 111.655 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.469 ' O ' HG23 ' B' ' 40' ' ' VAL . 79.6 mt -63.04 -50.31 71.13 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.676 0.39 . . . . 73.54 110.142 170.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -55.48 -25.95 39.75 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.601 0.76 . . . . 75.13 112.59 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -76.35 -38.56 55.68 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.247 0.546 . . . . 74.44 110.454 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.497 ' HB3' HG23 ' A' ' 62' ' ' ILE . 96.9 mt -87.44 -16.09 35.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.81 0.844 . . . . 74.23 113.148 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 36' ' ' LEU . 60.6 t -94.34 107.81 31.91 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 123.03 0.532 . . . . 74.35 111.217 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.47 7.57 4.7 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.464 2.776 . . . . 74.24 113.25 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.07 35.53 3.77 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 123.066 0.365 . . . . 73.42 113.162 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.69 101.98 39.38 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.521 0.729 . . . . 75.45 109.948 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.69 153.01 79.47 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.031 2.487 . . . . 74.53 112.629 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.32 100.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.499 1.119 . . . . 72.1 113.743 -171.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.19 -6.16 63.57 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.546 -0.752 . . . . 72.25 114.359 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 55.9 m -69.83 102.63 1.99 Allowed 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.725 0.762 . . . . 74.52 110.675 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -75.09 96.92 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.589 0.755 . . . . 74.44 110.231 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.86 133.66 44.52 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.761 -0.654 . . . . 70.13 111.195 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.5 p -89.93 -174.63 4.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.316 0.646 . . . . 70.12 110.377 171.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.8 -43.01 90.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.405 0.682 . . . . 75.22 112.834 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' A' ' 29' ' ' MET . 24.9 t -70.62 -38.32 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.816 0.446 . . . . 73.41 111.072 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.501 ' HA ' HE21 ' B' ' 56' ' ' GLN . 33.9 mm-40 -55.8 -39.06 70.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.77 0.828 . . . . 73.31 111.896 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.09 -54.89 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.82 0.848 . . . . 75.23 111.302 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.757 HD22 HD13 ' A' ' 36' ' ' LEU . 86.5 mt -56.14 -46.18 79.33 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.757 0.823 . . . . 75.34 111.636 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.501 HE21 ' HA ' ' B' ' 53' ' ' GLU . 20.3 mt-30 -63.73 -41.66 98.02 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.921 -1.036 . . . . 75.2 112.187 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -65.62 -36.94 85.18 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.058 0.943 . . . . 75.02 111.749 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.426 HG12 HG11 ' A' ' 58' ' ' VAL . 68.3 t -61.62 -48.97 86.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 CA-C-N 115.677 -0.692 . . . . 71.55 110.635 173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.531 HD11 ' HD3' ' A' ' 35' ' ' ARG . 89.8 mt -55.79 -48.93 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.361 0.664 . . . . 74.13 110.938 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.66 -48.09 75.62 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.607 0.763 . . . . 73.52 111.904 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -56.63 -48.04 78.37 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.079 0.952 . . . . 71.53 112.066 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.98 -37.4 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 115.652 -0.704 . . . . 74.43 111.496 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.21 -41.71 84.62 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.375 0.88 . . . . 74.42 113.375 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.09 -30.87 71.02 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.09 0.556 . . . . 74.22 112.157 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.93 -32.65 45.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.909 0.484 . . . . 74.32 111.447 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -99.64 -179.75 4.29 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.641 1.176 . . . . 71.44 111.676 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -94.48 126.63 46.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.2 0.6 . . . . 72.54 109.478 168.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.562 1.427 0 C-N-CA 123.451 0.701 . . . . 74.5 110.503 -175.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 112.362 0.504 . . . . 62.13 112.362 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.07 -31.97 73.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.601 0.76 . . . . 63.25 111.186 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.61 ' HG2' HG22 ' B' ' 52' ' ' VAL . 36.8 mtp -57.75 -41.21 81.44 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.617 -0.72 . . . . 75.12 111.178 175.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.49 -36.53 82.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.965 0.906 . . . . 75.03 111.238 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -64.64 -41.54 96.07 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.962 0.505 . . . . 74.54 110.661 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.3 m -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.381 0.672 . . . . 70.15 111.746 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.83 -34.66 78.29 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.954 0.902 . . . . 73.51 112.094 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -64.54 -38.89 92.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.913 0.485 . . . . 71.4 111.033 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -75.17 -27.74 59.78 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 113.502 0.927 . . . . 75.3 113.502 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 40' ' ' VAL . 90.3 mt -61.77 -46.67 88.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.58 -0.526 . . . . 71.23 109.58 169.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -56.76 -30.3 63.45 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.484 0.714 . . . . 65.14 112.833 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.01 -34.65 75.61 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.252 0.549 . . . . 74.45 111.196 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD21 HE22 ' B' ' 66' ' ' GLN . 78.6 mt -99.5 -2.23 36.44 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.344 0.868 . . . . 63.34 113.344 -170.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 36' ' ' LEU . 43.1 t -111.43 103.88 55.51 Favored Pre-proline 0 N--CA 1.493 1.718 0 CA-C-N 118.08 0.4 . . . . 64.33 111.83 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -79.64 -4.75 13.71 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 123.08 2.52 . . . . 62.11 113.081 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.99 14.59 19.59 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.411 0.525 . . . . 73.0 114.411 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.85 127.71 63.77 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 123.81 0.844 . . . . 74.4 110.147 172.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.99 170.81 13.51 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.44 2.093 . . . . 61.33 113.219 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -71.67 -32.41 67.85 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.852 0.461 . . . . 73.12 110.769 171.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.95 -156.52 32.76 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.213 -0.449 . . . . 64.43 112.258 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 m 66.33 102.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.645 1.178 . . . . 74.43 111.993 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.74 108.76 3.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.997 0.519 . . . . 74.11 109.931 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.38 97.17 2.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 121.112 0.482 . . . . 73.1 111.626 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.2 m -73.78 161.72 29.91 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.167 -0.679 . . . . 74.24 109.167 165.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -49.16 -38.06 24.32 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.38 0.881 . . . . 73.21 113.38 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.595 HG13 HE21 ' A' ' 56' ' ' GLN . 21.7 t -72.92 -43.63 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.15 0.58 . . . . 73.33 111.255 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.1 -34.14 74.48 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.902 0.881 . . . . 73.03 112.069 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 58' ' ' VAL . 93.8 mt -59.71 -50.68 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.581 0.753 . . . . 60.04 110.691 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD21 HD13 ' B' ' 36' ' ' LEU . 57.0 mt -57.22 -43.58 82.99 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.419 0.45 . . . . 72.35 111.517 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.595 HE21 HG13 ' A' ' 52' ' ' VAL . 76.2 mt-30 -59.31 -39.83 84.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 73.42 111.884 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.47 -38.75 92.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.798 0.439 . . . . 75.25 111.587 175.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 62' ' ' ILE . 59.2 t -68.98 -44.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.086 0.554 . . . . 74.34 111.84 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.67 -50.46 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.751 0.82 . . . . 74.44 111.254 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.23 -36.78 85.18 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.601 0.761 . . . . 74.12 112.104 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.29 -48.03 79.96 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.336 0.654 . . . . 74.54 111.515 173.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 58' ' ' VAL . 73.3 mt -66.0 -29.27 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 123.243 0.617 . . . . 72.12 110.956 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.94 -32.04 71.36 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.963 0.505 . . . . 73.35 112.213 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.21 -30.73 70.73 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.233 0.539 . . . . 75.1 111.386 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.8 mt -80.98 -45.86 15.98 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.761 -0.654 . . . . 74.44 111.011 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.524 0.678 . . . . 63.24 110.286 179.365 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 109.979 -0.378 . . . . 73.54 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.25 -26.05 65.49 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.246 0.618 . . . . 74.14 111.844 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -54.14 41.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.831 0.852 . . . . 73.32 110.752 167.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -76.01 -26.62 56.85 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.535 -1.211 . . . . 71.41 111.969 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -70.5 -39.95 73.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.661 0.784 . . . . 62.43 109.94 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.81 -37.28 87.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.448 0.699 . . . . 75.54 111.327 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -62.5 -37.09 84.68 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.102 0.561 . . . . 74.24 111.869 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 67.5 m -68.26 -33.97 75.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.181 0.592 . . . . 72.54 111.118 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -72.83 -32.67 65.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.751 0.82 . . . . 71.54 112.518 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.672 HD13 HD21 ' A' ' 55' ' ' LEU . 96.9 mt -64.5 -45.39 87.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.933 0.493 . . . . 74.14 109.849 169.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.401 ' HE ' HG12 ' B' ' 43' ' ' VAL . 15.6 tpt180 -56.08 -25.18 44.3 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.984 0.914 . . . . 74.22 112.105 176.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.0 mm-40 -76.21 -40.34 52.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.301 0.64 . . . . 74.41 111.329 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.405 ' HB3' HG22 ' A' ' 62' ' ' ILE . 94.8 mt -95.89 -7.86 35.59 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 114.077 1.14 . . . . 74.11 114.077 -170.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 36' ' ' LEU . 40.8 t -107.34 101.9 41.18 Favored Pre-proline 0 N--CA 1.491 1.597 0 CA-C-N 118.22 0.464 . . . . 73.54 111.774 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.442 ' HD2' ' CE1' ' B' ' 61' ' ' TYR . 91.7 Cg_endo -75.05 -7.0 18.73 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.206 2.604 . . . . 71.44 112.303 168.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.85 -15.43 60.1 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-N 116.099 -0.501 . . . . 73.01 113.436 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.401 HG12 ' HE ' ' B' ' 37' ' ' ARG . 92.6 t -65.12 120.89 70.99 Favored Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 123.321 0.648 . . . . 73.33 109.691 170.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.39 94.1 0.36 Allowed 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.56 2.173 . . . . 75.41 112.824 -172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 56.74 -83.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.454 1.501 . . . . 73.52 112.004 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.8 -92.12 1.66 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 110.669 -0.973 . . . . 64.31 110.669 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.4 m 55.19 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.226 1.41 . . . . 73.05 113.962 169.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.31 109.72 1.67 Allowed 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.609 0.719 . . . . 72.32 111.483 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.39 176.41 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.792 0.837 . . . . 74.23 112.161 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.1 t -98.57 169.24 9.65 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.527 0.731 . . . . 73.05 110.719 172.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.37 -42.3 98.85 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.379 0.672 . . . . 74.2 111.391 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' A' ' 29' ' ' MET . 8.1 t -71.07 -37.81 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.081 -0.509 . . . . 75.32 110.824 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.59 -45.01 77.48 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.066 0.946 . . . . 74.42 111.728 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.56 -49.56 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.543 0.527 . . . . 75.44 110.801 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.56 -51.97 61.21 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.811 0.671 . . . . 74.44 112.811 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.41 -34.58 76.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.558 0.743 . . . . 73.31 112.04 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -73.73 -28.64 61.8 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.396 0.678 . . . . 74.03 111.845 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.494 HG23 HD11 ' B' ' 36' ' ' LEU . 55.6 t -73.42 -42.01 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.171 0.588 . . . . 64.05 110.382 174.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 79.3 mt -56.08 -52.6 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 109.721 -0.474 . . . . 72.43 109.721 171.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.85 -33.59 73.29 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.509 1.124 . . . . 75.31 112.298 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' B' ' 41' ' ' PRO . 54.3 t80 -62.73 -49.72 73.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.717 0.807 . . . . 73.04 111.047 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 39' ' ' LEU . 69.3 mt -65.17 -38.4 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 122.959 0.503 . . . . 70.14 110.692 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 89.4 mt -67.93 -29.61 68.71 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.706 0.802 . . . . 64.25 111.39 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.71 -34.81 76.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.395 0.678 . . . . 73.55 111.087 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 70.1 mt -72.75 -36.2 67.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.498 0.719 . . . . 61.44 111.091 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.612 HE22 HD21 ' A' ' 39' ' ' LEU . 18.5 mt-30 -89.75 165.84 13.93 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.217 1.007 . . . . 70.23 112.244 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.89 100.72 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.136 0.574 . . . . 71.43 110.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.492 1.671 0 C-N-CA 123.528 0.731 . . . . 73.53 112.765 -177.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.755 1.021 . . . . 72.43 113.755 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.6 -31.04 41.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.724 0.809 . . . . 74.43 109.014 162.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.634 ' HG2' HG22 ' B' ' 52' ' ' VAL . 21.6 mtp -54.81 -52.11 63.7 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.539 1.136 . . . . 71.04 112.47 -176.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -66.55 -31.12 71.63 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.107 0.963 . . . . 73.14 112.693 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.73 -40.83 69.16 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.737 0.415 . . . . 65.12 110.987 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 92.8 m -62.03 -41.54 98.2 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.028 0.531 . . . . 72.31 111.381 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.32 -39.13 92.02 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.957 0.903 . . . . 74.22 112.038 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.3 m -63.65 -46.36 85.97 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.072 0.549 . . . . 73.15 110.66 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.618 ' HE ' HG23 ' B' ' 59' ' ' ILE . 22.9 ttp180 -63.31 -31.66 72.87 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.203 1.001 . . . . 72.31 111.89 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD12 HG21 ' A' ' 58' ' ' VAL . 98.0 mt -65.83 -55.83 15.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.486 0.714 . . . . 70.33 110.185 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -53.76 -24.79 16.22 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.662 0.986 . . . . 74.52 113.662 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.29 -32.41 29.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.758 0.823 . . . . 71.33 111.239 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -95.58 -12.5 25.58 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.671 0.788 . . . . 74.44 112.394 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 61' ' ' TYR . 97.9 t -100.58 106.65 44.4 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 123.861 0.865 . . . . 74.04 111.183 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.45 -3.39 13.83 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.817 2.345 . . . . 73.4 113.079 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 -21.14 72.43 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 123.131 0.396 . . . . 43.3 113.691 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.67 110.32 8.71 Favored Pre-proline 0 CA--C 1.566 1.573 0 C-N-CA 123.645 0.778 . . . . 75.34 110.163 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.4 2.31 1.59 Allowed 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.645 2.897 . . . . 74.14 116.314 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 69.93 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.321 1.448 . . . . 72.52 111.645 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.88 -75.32 1.88 Allowed Glycine 0 CA--C 1.535 1.309 0 N-CA-C 110.812 -0.915 . . . . 63.4 110.812 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t 47.79 -60.77 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 118.632 2.827 . . . . 73.02 118.632 164.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 87.12 90.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.027 2.131 . . . . 75.44 109.462 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -128.55 127.67 42.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.54 1.136 . . . . 72.34 109.509 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.9 m -85.95 178.31 7.31 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.233 0.613 . . . . 72.54 111.111 175.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -49.24 -45.57 44.84 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 124.245 1.018 . . . . 75.41 113.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.613 HG23 ' HB2' ' B' ' 29' ' ' MET . 47.9 t -69.63 -40.85 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.787 0.835 . . . . 74.31 111.507 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.99 -26.77 62.37 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.52 0.728 . . . . 62.31 112.672 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 58' ' ' VAL . 76.3 mt -63.85 -47.02 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 109.703 -0.48 . . . . 75.55 109.703 171.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 98.3 mt -54.96 -41.05 70.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.971 0.908 . . . . 71.31 112.669 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -58.98 -41.77 88.39 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.605 0.762 . . . . 72.02 111.563 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -69.79 -31.54 69.52 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.445 0.698 . . . . 74.11 112.118 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.616 HG21 HD12 ' A' ' 36' ' ' LEU . 93.2 t -66.45 -37.33 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.173 0.589 . . . . 75.4 110.744 175.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' B' ' 32' ' ' CYS . 77.7 mt -62.88 -50.0 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 116.067 -0.515 . . . . 71.33 109.86 170.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -52.82 -41.78 64.52 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.831 0.852 . . . . 64.01 111.864 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.487 ' HE2' HG12 ' B' ' 62' ' ' ILE . 52.1 t80 -56.26 -51.37 68.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.634 0.774 . . . . 71.52 111.428 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.697 HG23 ' HB3' ' B' ' 39' ' ' LEU . 32.8 mt -68.94 -32.25 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.946 -0.57 . . . . 74.51 110.792 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.5 mt -64.2 -37.34 87.12 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.071 0.548 . . . . 73.44 111.311 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -66.87 -33.23 75.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.379 0.672 . . . . 71.24 111.71 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.46 -41.87 75.66 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.841 0.456 . . . . 73.13 111.78 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 14.7 mm100 . . . . . 0 N--CA 1.481 1.084 0 C-N-CA 123.701 0.8 . . . . 73.35 111.681 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 121.443 0.64 . . . . 74.25 112.197 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.34 -32.16 64.39 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.603 -0.726 . . . . 74.1 109.1 173.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.613 ' HB2' HG23 ' A' ' 52' ' ' VAL . 17.0 ttm -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.2 1.0 . . . . 75.45 111.831 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.92 -32.35 71.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.453 0.301 . . . . 75.34 111.324 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -60.02 -46.02 90.85 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.461 0.705 . . . . 72.44 110.589 172.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.588 ' HA ' HD13 ' A' ' 59' ' ' ILE . 94.9 m -61.72 -48.68 79.63 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.16 -0.927 . . . . 73.5 111.208 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -60.13 -32.59 71.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.326 1.05 . . . . 71.25 112.336 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -67.67 -48.27 67.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 74.2 110.795 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -58.37 -40.49 82.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.468 0.707 . . . . 74.22 112.367 173.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 32' ' ' CYS . 82.0 mt -61.53 -48.64 80.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.566 0.346 . . . . 75.13 110.246 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -59.11 -20.76 56.44 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.264 0.838 . . . . 61.14 113.264 175.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.39 -38.65 13.17 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.216 0.606 . . . . 64.54 111.137 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.697 ' HB3' HG23 ' A' ' 62' ' ' ILE . 98.6 mt -86.03 -12.18 50.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.741 0.816 . . . . 73.32 112.177 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.5 t -105.42 102.18 35.87 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 73.22 109.502 174.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -75.73 22.39 0.47 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.252 2.635 . . . . 75.22 114.094 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.42 5.23 48.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.585 -0.564 . . . . 62.2 114.305 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.46 120.99 82.23 Favored Pre-proline 0 N--CA 1.487 1.419 0 CA-C-N 117.716 0.758 . . . . 74.43 109.974 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.46 80.85 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 123.424 2.749 . . . . 74.15 115.275 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 49.88 25.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 116.276 1.954 . . . . 74.4 116.276 167.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.46 123.79 3.18 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 122.327 -0.233 . . . . 44.33 113.494 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -177.65 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 72.45 111.062 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 50.51 82.58 0.05 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.287 1.035 . . . . 75.53 110.627 -166.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.02 157.75 4.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.196 1.399 . . . . 73.43 114.047 -171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -66.15 156.73 33.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.311 -0.859 . . . . 72.24 111.103 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -46.97 -40.02 13.56 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.056 0.942 . . . . 75.24 112.726 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 29' ' ' MET . 11.2 t -71.29 -51.5 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.26 0.624 . . . . 71.53 111.124 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -56.96 -34.76 68.37 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.28 1.032 . . . . 72.42 112.741 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.37 -49.03 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.362 0.665 . . . . 74.53 110.626 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.408 HD23 HD11 ' A' ' 36' ' ' LEU . 87.6 mt -52.61 -46.18 66.91 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.402 0.681 . . . . 75.03 111.441 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.05 -45.54 84.95 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.961 -1.018 . . . . 74.51 111.362 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -29.89 70.92 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.382 0.673 . . . . 74.21 112.657 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.449 ' O ' HG13 ' B' ' 62' ' ' ILE . 72.8 t -64.29 -47.24 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 109.787 -0.449 . . . . 74.22 109.787 172.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.618 HG23 ' HE ' ' A' ' 35' ' ' ARG . 73.4 mt -62.79 -37.97 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 123.136 0.574 . . . . 72.15 110.857 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -67.35 -34.91 78.32 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.248 0.619 . . . . 71.15 111.589 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.606 ' HB2' HG13 ' B' ' 40' ' ' VAL . 52.8 t80 -59.97 -47.78 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.547 1.139 . . . . 74.12 110.635 173.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.487 HG12 ' HE2' ' A' ' 61' ' ' TYR . 61.4 mt -62.68 -49.98 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 123.71 0.804 . . . . 71.05 110.723 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -32.04 73.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.859 0.863 . . . . 75.32 112.164 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.03 -39.41 93.32 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.194 0.598 . . . . 62.35 110.817 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 83.0 mt -69.62 -44.76 70.03 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.484 0.714 . . . . 74.42 111.844 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.47 -51.69 33.68 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.977 0.911 . . . . 64.22 113.158 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.53 128.22 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.513 0.725 . . . . 75.4 111.904 -173.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 CA--C 1.566 1.592 0 C-N-CA 123.813 0.845 . . . . 62.21 109.989 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 112.862 0.69 . . . . 73.43 112.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.58 -33.79 76.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.307 0.243 . . . . 74.4 110.834 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.406 ' HE2' HG23 ' B' ' 52' ' ' VAL . 34.3 ttm -61.82 -39.39 91.6 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.66 0.784 . . . . 75.43 111.792 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -63.58 -50.39 69.65 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.598 0.759 . . . . 72.32 110.814 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.06 -35.13 79.7 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.794 0.838 . . . . 73.44 112.074 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 m -66.47 -53.88 30.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.706 0.802 . . . . 63.32 111.317 175.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.72 -35.93 75.53 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.21 0.604 . . . . 74.33 112.512 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -63.35 -49.39 74.07 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.965 0.506 . . . . 74.35 111.011 175.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.81 -38.22 87.33 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.474 1.11 . . . . 72.15 112.016 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 58' ' ' VAL . 94.5 mt -62.14 -51.03 69.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.344 0.658 . . . . 71.3 110.727 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -56.71 -22.86 38.25 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.215 0.821 . . . . 72.24 113.215 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -87.91 -32.57 18.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.562 0.745 . . . . 63.31 111.275 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.7 -25.49 24.74 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.699 0.8 . . . . 75.34 112.13 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 57' ' ' ARG . 87.9 t -92.62 119.43 67.96 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.646 0.778 . . . . 75.14 111.725 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.14 173.6 13.68 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.092 2.528 . . . . 75.34 112.4 169.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.1 87.99 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 114.134 0.413 . . . . 74.4 114.134 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -90.56 110.76 43.47 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.739 0.815 . . . . 73.23 109.438 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.21 135.72 35.23 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.353 2.035 . . . . 72.23 112.229 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -65.76 -31.29 72.18 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.436 0.694 . . . . 73.02 112.085 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.82 24.9 15.43 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-O 120.052 -0.305 . . . . 61.32 113.501 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.1 m -140.04 103.88 4.72 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.556 0.742 . . . . 74.25 110.593 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.64 95.58 5.95 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.801 -0.444 . . . . 73.23 109.801 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD23 ' HB3' ' A' ' 53' ' ' GLU . 83.5 mt -63.74 129.28 39.45 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.888 -0.597 . . . . 73.32 110.596 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.8 m -80.3 -77.72 0.19 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.215 0.606 . . . . 54.05 112.545 -169.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.89 -73.68 0.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.375 0.67 . . . . 64.11 111.108 -174.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 HG22 ' HE1' ' B' ' 29' ' ' MET . 3.4 t -71.75 -32.61 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 115.856 -0.611 . . . . 73.23 110.86 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HB3' HD23 ' A' ' 49' ' ' LEU . 46.5 mt-10 -53.71 -43.82 69.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.951 0.901 . . . . 75.2 111.736 172.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 58' ' ' VAL . 58.6 mt -63.28 -50.05 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 122.968 0.507 . . . . 75.41 110.277 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 59' ' ' ILE . 96.1 mt -52.33 -49.41 64.32 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.744 0.817 . . . . 75.12 112.426 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.98 -44.19 94.63 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.087 0.955 . . . . 70.32 111.676 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.492 ' HE ' ' HA ' ' A' ' 57' ' ' ARG . 1.2 mmp_? -62.36 -37.68 86.62 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.575 0.75 . . . . 75.42 112.08 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 36' ' ' LEU . 83.2 t -65.16 -42.6 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 122.528 0.331 . . . . 73.12 110.305 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 60.6 mt -60.95 -44.86 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.071 0.548 . . . . 73.25 110.65 175.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.24 -45.54 83.83 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.697 0.799 . . . . 72.23 111.403 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -58.14 -42.94 86.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.987 0.915 . . . . 72.43 111.603 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 58' ' ' VAL . 63.5 mt -70.69 -25.88 27.27 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 C-N-CA 122.81 0.444 . . . . 74.54 110.989 177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 90.6 mt -68.4 -29.77 68.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.889 0.475 . . . . 73.33 111.41 171.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.68 -33.97 73.29 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.981 0.512 . . . . 73.51 111.373 169.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.9 mt -71.74 -39.65 69.92 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.176 0.591 . . . . 75.12 111.289 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.489 1.476 0 C-N-CA 124.289 1.036 . . . . 73.51 111.458 -179.343 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.76 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 111.501 0.185 . . . . 73.13 111.501 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.77 -52.86 21.55 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.125 0.417 . . . . 65.24 112.125 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.447 ' HE1' HG22 ' A' ' 52' ' ' VAL . 33.5 ttm -58.83 -45.88 89.0 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.461 0.704 . . . . 74.13 111.75 174.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.76 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 46.6 t30 -63.7 -36.6 84.38 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.773 0.829 . . . . 70.33 111.545 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -70.35 -43.46 70.15 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.103 0.561 . . . . 75.3 110.709 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.82 -37.97 89.41 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.638 0.775 . . . . 63.0 112.122 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.3 -40.46 90.03 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.623 0.769 . . . . 64.02 111.767 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -67.5 -37.82 83.39 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.245 0.618 . . . . 74.05 111.126 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -68.4 -29.49 68.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.944 1.298 . . . . 62.5 111.256 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 40' ' ' VAL . 96.3 mt -60.32 -54.99 39.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.021 0.529 . . . . 72.14 109.953 165.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.634 HH12 ' HD2' ' B' ' 57' ' ' ARG . 24.0 mmt180 -63.2 -16.73 61.08 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.027 1.121 . . . . 75.31 114.027 -176.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.82 -44.21 70.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.233 0.54 . . . . 71.41 110.272 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.35 -19.63 26.4 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.083 -0.962 . . . . 72.53 112.05 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.435 HG22 HG22 ' B' ' 58' ' ' VAL . 61.3 t -89.19 112.12 49.28 Favored Pre-proline 0 N--CA 1.488 1.438 0 C-N-CA 123.311 0.645 . . . . 74.41 110.306 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.5 -11.07 30.35 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.629 2.219 . . . . 72.43 113.6 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.75 71.04 2.62 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 123.028 0.347 . . . . 75.05 113.45 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.564 HG22 ' HD2' ' B' ' 37' ' ' ARG . 21.6 t -139.96 111.48 7.35 Favored Pre-proline 0 N--CA 1.489 1.483 0 C-N-CA 123.461 0.704 . . . . 72.04 109.567 174.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.49 137.95 23.69 Favored 'Trans proline' 0 CA--C 1.558 1.702 0 C-N-CA 122.412 2.075 . . . . 75.44 112.032 174.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -68.17 138.3 55.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.732 0.413 . . . . 74.03 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.72 -28.61 3.93 Favored Glycine 0 CA--C 1.541 1.679 0 CA-C-N 116.609 -0.269 . . . . 61.21 113.638 -175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.6 m -79.51 109.26 13.72 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.185 0.994 . . . . 75.44 110.227 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -74.37 -33.78 63.18 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.49 0.716 . . . . 64.14 112.548 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt 64.37 -176.62 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.335 1.054 . . . . 71.14 112.741 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' SER . . . . . 0.4 ' O ' HG13 ' B' ' 54' ' ' ILE . 74.4 m -142.98 170.84 14.94 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.426 0.528 . . . . 70.54 112.426 -176.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.54 -53.89 33.12 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.251 1.421 . . . . 75.32 113.966 -170.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.406 HG23 ' HE2' ' A' ' 29' ' ' MET . 18.0 t -71.28 -35.9 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.799 0.44 . . . . 73.33 111.205 -176.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -36.08 72.17 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.763 0.825 . . . . 74.21 110.391 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.597 HG12 ' HE ' ' B' ' 37' ' ' ARG . 18.7 mt -63.58 -51.79 65.8 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 116.293 -0.412 . . . . 74.42 110.566 175.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.408 ' O ' HG13 ' B' ' 59' ' ' ILE . 98.2 mt -54.26 -46.71 72.71 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.227 0.611 . . . . 65.51 112.308 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.09 -55.96 22.61 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.46 1.104 . . . . 72.32 112.239 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.634 ' HD2' HH12 ' B' ' 37' ' ' ARG . 14.4 ttm-85 -72.72 -24.5 60.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.277 -0.874 . . . . 75.32 111.943 -172.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.435 HG22 HG22 ' B' ' 40' ' ' VAL . 67.4 t -71.85 -41.13 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.936 0.494 . . . . 71.44 110.567 171.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 68.7 mt -60.28 -50.4 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 118.063 0.392 . . . . 74.53 110.55 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -54.14 -45.8 72.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.478 0.711 . . . . 73.23 111.63 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.41 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 53.1 t80 -54.57 -49.25 70.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.824 1.25 . . . . 73.05 111.421 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.71 -38.59 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 124.281 1.032 . . . . 75.11 111.757 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 97.0 mt -65.38 -37.08 85.92 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.231 0.612 . . . . 73.2 112.428 -177.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -61.0 -46.34 91.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.878 0.471 . . . . 64.35 110.872 173.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 66.3 mt -69.89 -39.16 76.43 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.781 0.833 . . . . 75.45 112.13 -176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -70.25 -30.06 67.02 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.277 1.031 . . . . 74.22 111.687 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t 61.62 86.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 124.781 1.232 . . . . 72.13 110.964 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 CA--C 1.563 1.445 0 C-N-CA 123.759 0.824 . . . . 75.32 111.205 -175.248 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 109.901 -0.407 . . . . 74.24 109.901 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.41 -44.75 80.62 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.87 0.868 . . . . 71.02 111.922 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.616 ' HB2' HG23 ' B' ' 52' ' ' VAL . 17.6 ttm -62.97 -41.02 99.42 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.926 0.89 . . . . 73.53 112.439 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.39 -40.95 96.25 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.417 0.627 . . . . 73.4 111.167 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.59 -37.04 84.07 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 123.893 0.877 . . . . 74.43 110.903 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.6 m -66.0 -40.94 91.55 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.627 0.771 . . . . 62.41 111.755 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.74 -36.65 84.19 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.749 0.82 . . . . 74.1 112.042 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 t -59.78 -49.74 76.53 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.854 -0.612 . . . . 72.14 110.699 171.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.5 mtp85 -60.78 -36.47 79.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.032 0.933 . . . . 75.55 113.373 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 HD12 HD23 ' B' ' 55' ' ' LEU . 82.0 mt -58.99 -54.17 50.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.536 0.334 . . . . 74.23 110.481 172.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -62.78 -20.31 64.87 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.612 0.765 . . . . 74.03 112.268 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.5 mm-40 -78.79 -35.44 44.37 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.971 0.509 . . . . 74.45 111.016 175.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' B' ' 62' ' ' ILE . 95.2 mt -88.12 -12.94 42.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.783 0.833 . . . . 75.41 112.694 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 61' ' ' TYR . 49.8 t -102.89 101.3 20.2 Favored Pre-proline 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.31 110.376 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.38 -12.49 14.05 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 122.664 2.243 . . . . 74.42 112.928 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.62 54.22 4.79 Favored Glycine 0 N--CA 1.481 1.637 0 C-N-CA 123.32 0.486 . . . . 42.13 113.254 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.12 120.72 29.05 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.882 0.873 . . . . 72.1 110.281 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.88 119.58 6.82 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.622 2.215 . . . . 73.12 111.763 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -63.63 -34.63 78.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.634 0.774 . . . . 74.24 111.821 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.17 10.4 34.9 Favored Glycine 0 CA--C 1.544 1.875 0 N-CA-C 114.607 0.603 . . . . 75.54 114.607 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.7 m -103.58 -57.11 2.09 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 117.778 0.789 . . . . 75.54 111.535 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 62.91 106.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.285 1.034 . . . . 75.54 111.07 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -83.17 138.1 33.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.274 -0.875 . . . . 74.22 112.585 -172.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -98.01 -177.56 3.79 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.153 -0.684 . . . . 74.42 109.153 163.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -46.95 -51.94 15.78 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.037 1.495 . . . . 74.21 115.037 -166.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' B' ' 29' ' ' MET . 36.5 t -71.18 -40.89 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 122.852 0.461 . . . . 71.22 111.531 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.14 -28.01 68.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.33 0.652 . . . . 73.45 111.776 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 58' ' ' VAL . 73.4 mt -62.11 -52.42 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 122.608 0.363 . . . . 73.21 110.161 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD22 HD12 ' B' ' 36' ' ' LEU . 95.8 mt -52.64 -45.42 66.66 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.631 0.773 . . . . 71.14 112.19 178.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -58.25 -51.97 67.56 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.183 -0.917 . . . . 72.41 111.578 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -66.93 -24.63 66.11 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.569 0.748 . . . . 75.21 112.652 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 54' ' ' ILE . 69.7 t -68.28 -46.32 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.625 0.37 . . . . 64.03 110.044 172.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt -60.34 -44.35 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 122.884 0.474 . . . . 73.22 110.32 176.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -59.76 -42.15 92.6 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.016 0.926 . . . . 75.33 112.006 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' HB2' HG12 ' A' ' 40' ' ' VAL . 38.1 t80 -57.98 -46.91 84.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.623 0.769 . . . . 74.11 111.45 174.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 71.2 mt -65.74 -35.51 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 CA-C-N 115.766 -0.652 . . . . 73.15 110.4 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 91.4 mt -59.46 -41.43 89.68 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.216 0.606 . . . . 73.4 111.739 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.59 -34.59 67.32 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.61 0.764 . . . . 74.34 111.851 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 mt -83.81 -33.1 25.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.579 0.751 . . . . 73.41 112.405 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 77.4 mm-40 . . . . . 0 N--CA 1.487 1.412 0 C-N-CA 123.305 0.642 . . . . 73.11 111.822 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.948 0.404 . . . . 74.3 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -50.41 -38.24 41.97 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 114.898 -1.046 . . . . 61.12 110.667 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.477 ' HB2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -53.78 -50.85 65.17 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.528 1.131 . . . . 62.0 112.451 170.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.26 -41.33 90.07 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.439 0.696 . . . . 74.34 111.167 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -67.09 -40.8 87.02 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.321 0.648 . . . . 75.0 110.978 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.72 -39.67 94.04 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.827 0.851 . . . . 61.44 111.781 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.57 -43.58 89.44 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.931 0.892 . . . . 74.42 112.034 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 39.5 m -58.87 -44.11 90.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.23 -0.896 . . . . 62.44 110.801 176.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -34.07 73.3 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.498 0.719 . . . . 74.42 111.694 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.547 HD12 HD22 ' A' ' 55' ' ' LEU . 81.4 mt -57.21 -52.18 66.36 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.875 0.369 . . . . 74.22 110.217 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -53.21 -30.89 40.31 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.589 1.156 . . . . 75.41 112.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.7 mm-40 -78.25 -38.98 41.61 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.005 0.522 . . . . 72.23 110.87 -177.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.02 -17.85 56.59 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.501 0.72 . . . . 71.24 111.943 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' B' ' 61' ' ' TYR . 54.3 t -97.88 107.68 41.78 Favored Pre-proline 0 N--CA 1.488 1.47 0 C-N-CA 123.471 0.708 . . . . 71.32 111.473 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.92 -14.42 26.5 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.688 2.259 . . . . 64.24 112.665 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.05 -22.16 70.36 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 114.483 0.553 . . . . 52.31 114.483 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.93 123.0 85.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.167 0.587 . . . . 73.43 110.69 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.31 97.1 0.24 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.634 2.222 . . . . 75.03 111.963 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 58.42 -161.8 0.24 Allowed 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 124.362 1.065 . . . . 75.44 111.894 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.49 48.08 3.96 Favored Glycine 0 CA--C 1.542 1.747 0 O-C-N 121.775 -0.578 . . . . 73.11 113.298 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 86.0 m -79.85 137.38 36.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.458 0.703 . . . . 74.23 111.052 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -79.23 82.33 5.4 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.565 0.746 . . . . 74.21 109.784 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.96 163.09 28.22 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.628 -0.715 . . . . 73.14 110.677 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -62.14 141.13 58.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 109.495 -0.557 . . . . 64.43 109.495 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.96 -32.68 21.74 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.507 0.723 . . . . 72.43 112.542 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 29' ' ' MET . 14.0 t -71.06 -44.55 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.604 0.762 . . . . 73.23 111.226 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.22 -30.29 71.17 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.345 0.658 . . . . 73.03 111.392 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.454 ' O ' HG23 ' B' ' 58' ' ' VAL . 75.0 mt -64.93 -49.07 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.497 0.719 . . . . 74.53 109.924 172.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 36' ' ' LEU . 96.5 mt -53.57 -49.64 67.29 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.214 0.606 . . . . 72.51 111.663 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.428 ' HA ' HD11 ' B' ' 59' ' ' ILE . 79.9 mt-30 -64.35 -32.57 74.24 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.476 1.11 . . . . 75.01 112.29 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -74.15 -29.31 61.73 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 75.42 110.95 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 54' ' ' ILE . 91.7 t -72.09 -41.12 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.284 0.634 . . . . 75.21 110.169 172.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' B' ' 56' ' ' GLN . 87.2 mt -58.98 -44.65 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.424 0.69 . . . . 73.44 110.21 173.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.39 -48.55 78.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.32 1.048 . . . . 73.42 111.315 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.467 ' HB2' HG13 ' B' ' 40' ' ' VAL . 55.6 t80 -56.59 -48.46 77.36 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.776 1.23 . . . . 71.52 111.846 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 39' ' ' LEU . 73.7 mt -71.18 -37.82 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.358 0 C-N-CA 123.12 0.568 . . . . 74.34 111.455 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.19 -33.2 75.26 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.371 0.668 . . . . 70.41 111.681 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.49 -30.82 67.71 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.722 0.809 . . . . 74.21 111.173 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 89.6 mt -79.64 -43.96 21.85 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.433 0.693 . . . . 62.02 111.657 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.84 -166.42 1.48 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.287 1.035 . . . . 73.42 110.964 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.48 127.84 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.653 -0.499 . . . . 72.24 109.653 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.571 1.784 0 N-CA-C 113.319 0.859 . . . . 73.22 113.319 -177.031 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 113.017 0.747 . . . . 74.33 113.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.65 -39.88 71.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.937 0.895 . . . . 73.51 111.916 -172.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.482 ' HE1' HG22 ' B' ' 52' ' ' VAL . 32.1 ttm -58.68 -45.16 90.02 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.953 0.901 . . . . 75.45 112.003 174.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -64.81 -44.19 90.72 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.41 0.684 . . . . 75.02 111.322 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.98 -40.83 97.28 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.224 0.61 . . . . 72.4 111.232 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 80.0 m -62.56 -42.38 99.5 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.683 0.793 . . . . 70.23 111.931 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -69.02 -35.98 77.26 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.527 0.731 . . . . 72.24 112.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -64.26 -42.31 96.54 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.42 0.628 . . . . 64.04 110.376 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -31.74 69.51 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.074 1.349 . . . . 74.25 111.266 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 58' ' ' VAL . 78.4 mt -62.51 -49.07 76.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.135 0.574 . . . . 63.45 109.728 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.91 -17.86 58.21 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 112.92 0.711 . . . . 75.32 112.92 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -84.4 -39.86 18.51 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.021 0.439 . . . . 73.34 110.205 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' HB3' HG21 ' B' ' 62' ' ' ILE . 93.1 mt -80.25 -23.49 40.79 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.419 0.688 . . . . 75.03 112.721 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 61' ' ' TYR . 59.5 t -94.17 109.94 45.29 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.626 0.77 . . . . 72.21 111.271 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.56 75.66 4.93 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.805 2.337 . . . . 73.22 111.79 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.22 13.3 0.04 OUTLIER Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.449 -0.796 . . . . 64.01 114.353 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG11 HD13 ' A' ' 49' ' ' LEU . 61.6 t -96.02 114.85 64.99 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.583 0.753 . . . . 73.31 109.585 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.567 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 51.1 Cg_exo -54.62 152.78 26.13 Favored 'Trans proline' 0 CA--C 1.566 2.091 0 C-N-CA 122.97 2.447 . . . . 70.53 114.846 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.28 105.44 4.68 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.296 0.638 . . . . 74.25 111.916 -175.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.58 39.47 29.83 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.147 -0.478 . . . . 74.13 113.059 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 7.3 t -84.85 -32.12 23.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.166 0.586 . . . . 74.35 112.133 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 58.0 47.73 14.39 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.123 0.969 . . . . 72.12 111.834 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HG11 ' A' ' 43' ' ' VAL . 78.4 mt -56.63 122.23 11.57 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.435 0.294 . . . . 72.44 110.736 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -74.89 177.44 6.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.898 0.38 . . . . 55.42 111.196 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' HG2' ' HE3' ' B' ' 29' ' ' MET . 41.3 tt0 -49.27 -44.65 44.04 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.307 1.443 . . . . 73.14 114.15 -166.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.615 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.4 t -72.63 -43.96 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 122.852 0.461 . . . . 74.31 111.771 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.35 -29.79 70.71 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.324 0.649 . . . . 75.23 112.42 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.92 -47.4 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 122.918 0.487 . . . . 75.52 110.61 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.15 -39.47 72.35 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.197 0.599 . . . . 75.41 111.978 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.87 -43.14 99.45 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 123.57 0.748 . . . . 75.33 111.19 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -67.71 -33.43 74.89 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.716 0.806 . . . . 72.34 111.994 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG12 HG11 ' B' ' 58' ' ' VAL . 91.0 t -65.4 -40.99 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 122.631 0.372 . . . . 74.03 110.502 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.46 -50.66 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 122.927 0.491 . . . . 73.1 110.206 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -50.41 -50.82 50.71 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.676 0.79 . . . . 72.24 111.714 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.473 ' HB2' HG11 ' A' ' 40' ' ' VAL . 48.6 t80 -57.49 -55.63 32.34 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.993 0.917 . . . . 72.33 112.33 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.51 HG22 HE21 ' A' ' 66' ' ' GLN . 42.5 mt -68.66 -26.44 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 C-N-CA 122.855 0.462 . . . . 73.34 111.902 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.66 -49.76 76.48 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.007 0.523 . . . . 72.05 112.143 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.55 -31.22 71.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.383 0.673 . . . . 75.22 112.803 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.11 -40.2 71.61 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.383 0.611 . . . . 73.42 111.152 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.51 HE21 HG22 ' A' ' 62' ' ' ILE . 43.5 mt-30 . . . . . 0 N--CA 1.478 0.968 0 CA-C-N 115.257 -0.883 . . . . 73.54 110.567 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.546 0.815 0 CA-C-O 121.135 0.493 . . . . 74.31 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.53 -35.05 39.08 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.281 1.032 . . . . 75.22 111.438 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.615 ' HG2' HG22 ' A' ' 52' ' ' VAL . 5.1 mtp -60.77 -48.52 81.43 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.284 -0.871 . . . . 75.23 111.811 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.72 -31.8 72.69 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.429 0.692 . . . . 72.11 111.557 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -67.77 -39.24 84.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.654 0.381 . . . . 74.01 111.356 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.08 -44.97 75.08 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.226 0.61 . . . . 72.43 111.234 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -59.41 -37.87 79.13 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.553 1.141 . . . . 73.44 111.805 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.42 -43.95 95.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.476 0.71 . . . . 71.02 110.955 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -69.82 -30.61 68.17 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.054 0.542 . . . . 75.41 111.731 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.37 -44.14 97.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.165 -0.309 . . . . 75.44 110.165 170.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.438 HH12 ' HB2' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -68.91 -7.59 36.31 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 112.901 0.704 . . . . 63.22 112.901 177.624 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -93.47 -39.13 11.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.465 0.706 . . . . 73.11 110.134 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.67 -11.18 54.44 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.362 -0.836 . . . . 73.23 112.799 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.49 94.9 24.46 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 123.333 0.653 . . . . 61.23 111.112 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.23 -5.11 16.6 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.677 2.251 . . . . 74.51 113.019 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.37 56.39 4.41 Favored Glycine 0 C--N 1.359 1.827 0 CA-C-O 121.395 0.441 . . . . 74.51 112.866 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.442 HG12 HD11 ' B' ' 49' ' ' LEU . 74.4 t -131.73 126.07 20.74 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 124.973 1.309 . . . . 74.52 109.156 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.37 135.57 68.75 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.581 2.187 . . . . 73.24 112.277 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -69.14 146.83 52.16 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.142 0.577 . . . . 72.33 111.743 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.11 42.17 98.17 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-N 116.35 -0.386 . . . . 71.04 113.333 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -135.19 116.46 14.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.32 0.648 . . . . 72.45 111.128 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -85.06 114.38 22.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.594 0.757 . . . . 70.12 110.147 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.442 HD11 HG12 ' B' ' 43' ' ' VAL . 84.6 mt -96.18 122.5 39.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.967 0.507 . . . . 75.43 111.784 -176.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.4 m -78.63 174.91 10.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.702 0.801 . . . . 75.44 110.614 173.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -49.46 -51.4 36.0 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.91 1.448 . . . . 72.1 114.91 -172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.482 HG22 ' HE1' ' A' ' 29' ' ' MET . 33.0 t -71.73 -40.65 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 122.586 0.354 . . . . 73.15 110.527 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.41 -37.57 67.8 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.938 0.895 . . . . 71.21 111.813 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.15 -51.32 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.481 0.712 . . . . 73.24 111.065 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.93 -44.15 78.05 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.028 0.931 . . . . 72.2 111.967 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -62.82 -41.96 99.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.943 0.897 . . . . 74.5 111.64 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.438 ' HB2' HH12 ' B' ' 37' ' ' ARG . 1.7 mmp_? -71.91 -29.76 64.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.782 0.833 . . . . 74.33 112.184 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.473 HG11 HG12 ' A' ' 58' ' ' VAL . 55.6 t -68.28 -52.93 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.713 0.405 . . . . 52.42 110.222 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.34 -47.93 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.612 0.765 . . . . 75.43 111.131 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -57.44 -42.99 83.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.606 0.763 . . . . 72.05 111.916 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.45 -46.31 89.11 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.988 0.915 . . . . 74.22 112.105 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 39' ' ' LEU . 82.3 mt -64.72 -40.01 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 122.925 0.49 . . . . 73.42 110.918 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.94 -31.82 72.66 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.439 0.696 . . . . 64.4 111.436 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.05 -32.84 74.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.427 0.691 . . . . 74.52 111.158 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -83.76 -41.39 17.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.057 0.543 . . . . 74.22 112.325 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -79.06 -58.57 3.17 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.246 0.619 . . . . 70.42 111.327 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.43 85.75 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 122.119 0.962 . . . . 75.13 110.377 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.567 1.598 0 CA-C-N 114.596 -1.183 . . . . 74.44 110.195 176.79 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 109.587 -0.523 . . . . 65.14 109.587 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.6 -40.14 62.37 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.342 1.057 . . . . 72.12 111.875 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.7 ttm -59.38 -47.16 86.48 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.645 0.778 . . . . 75.44 112.18 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.03 -43.07 96.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.454 0.702 . . . . 73.1 110.966 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.72 -37.45 79.48 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.76 0.824 . . . . 72.43 111.595 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.1 m -64.9 -40.1 94.55 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.387 0.675 . . . . 75.23 111.363 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -62.62 -41.43 99.0 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.726 0.81 . . . . 75.51 112.135 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -58.8 -48.06 82.58 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.349 0.66 . . . . 71.13 110.929 173.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -66.47 -34.84 78.83 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.075 0.95 . . . . 72.22 112.433 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 52.9 mt -59.75 -55.02 39.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.168 0.587 . . . . 75.34 110.345 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -34.98 68.01 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.331 1.052 . . . . 75.11 110.423 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.11 -39.25 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.63 0.772 . . . . 75.44 111.565 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.03 -13.87 61.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.799 0.84 . . . . 71.2 112.174 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 57' ' ' ARG . 57.0 t -101.88 109.48 59.79 Favored Pre-proline 0 CA--C 1.564 1.487 0 C-N-CA 123.708 0.803 . . . . 75.15 111.779 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.32 -16.63 15.27 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 123.171 2.581 . . . . 73.44 112.965 170.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 55.07 5.0 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 123.373 0.511 . . . . 70.43 113.585 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.44 132.34 24.28 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.898 1.279 . . . . 71.43 108.978 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.2 122.51 11.68 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.607 2.205 . . . . 73.43 112.02 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -58.87 124.3 19.36 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.678 0.791 . . . . 74.54 111.12 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.62 -2.48 73.51 Favored Glycine 0 N--CA 1.477 1.384 0 N-CA-C 114.329 0.492 . . . . 73.2 114.329 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.1 m -95.86 126.15 40.91 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.452 0.701 . . . . 75.44 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -71.42 -31.12 66.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.654 0.782 . . . . 74.11 111.993 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt 67.01 -171.92 0.19 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.762 1.225 . . . . 72.4 112.312 -176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.558 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 61.9 m -132.52 175.47 9.27 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.831 1.252 . . . . 74.32 110.501 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -57.79 -47.36 82.79 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.644 0.778 . . . . 75.51 111.957 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.1 t -71.94 -39.38 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 115.57 -0.741 . . . . 74.43 111.009 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HB2' ' H ' ' A' ' 50' ' ' SER . 42.3 mm-40 -53.13 -48.66 67.72 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.778 0.831 . . . . 73.0 112.084 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.11 -45.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 74.21 111.486 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD22 HD11 ' B' ' 36' ' ' LEU . 94.4 mt -51.28 -49.05 62.01 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.798 0.439 . . . . 73.43 111.687 172.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.28 -45.64 93.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.583 0.753 . . . . 74.0 111.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.658 ' HB3' HG12 ' A' ' 40' ' ' VAL . 30.2 mmt180 -59.64 -36.91 77.31 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.975 0.91 . . . . 74.51 111.334 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG12 HG11 ' B' ' 58' ' ' VAL . 94.1 t -69.48 -42.67 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.564 0.746 . . . . 74.52 111.479 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.551 HD11 ' HE ' ' B' ' 35' ' ' ARG . 88.2 mt -58.16 -50.75 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 122.92 0.488 . . . . 71.13 110.262 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -62.16 -36.02 80.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.774 0.83 . . . . 74.44 112.49 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.582 0.753 . . . . 74.31 111.4 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' B' ' 39' ' ' LEU . 55.0 mt -73.34 -35.88 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.841 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -58.81 -33.88 70.87 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.275 0.63 . . . . 74.04 111.67 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -37.64 88.23 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 123.677 0.791 . . . . 74.31 111.025 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 mt -79.24 -32.92 43.95 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.749 0.819 . . . . 72.23 112.159 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 123.855 0.862 . . . . 73.04 111.291 -177.526 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.156 0.503 . . . . 71.13 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.97 -34.38 69.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.169 0.988 . . . . 62.42 112.003 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.599 ' HG2' HG22 ' A' ' 52' ' ' VAL . 48.3 mtp -68.71 -39.85 80.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.788 0.435 . . . . 73.54 111.243 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.16 -28.65 64.42 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.222 0.609 . . . . 74.34 110.641 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -61.59 -44.57 96.77 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.434 0.694 . . . . 74.43 110.374 170.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.48 -38.26 84.12 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.396 0.679 . . . . 73.12 112.102 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.62 -35.23 80.33 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.918 0.887 . . . . 75.3 112.096 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -63.26 -46.24 87.79 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.108 0.563 . . . . 63.03 110.744 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.551 ' HE ' HD11 ' A' ' 59' ' ' ILE . 13.6 mtp180 -61.88 -34.37 75.89 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.871 0.869 . . . . 75.32 112.772 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD11 HD22 ' A' ' 55' ' ' LEU . 88.6 mt -60.34 -54.26 47.75 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.733 0.413 . . . . 72.22 110.38 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -66.35 -12.16 55.23 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.6 0.963 . . . . 75.34 113.6 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.91 -29.38 20.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 120.924 0.393 . . . . 75.44 111.048 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 62' ' ' ILE . 88.1 mt -96.33 -5.45 39.98 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.243 1.017 . . . . 72.12 112.779 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' B' ' 61' ' ' TYR . 62.1 t -111.34 97.69 36.83 Favored Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 123.063 0.545 . . . . 72.32 110.959 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -82.63 -5.59 11.63 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.146 2.564 . . . . 71.54 113.115 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.37 50.08 4.34 Favored Glycine 0 C--N 1.359 1.849 0 C-N-CA 123.08 0.371 . . . . 72.23 112.782 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.472 HG22 HG11 ' B' ' 40' ' ' VAL . 95.0 t -129.68 135.43 27.51 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.727 1.211 . . . . 74.45 109.412 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.01 124.78 16.43 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.454 2.103 . . . . 71.42 111.098 170.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -75.34 130.41 38.99 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.26 0.624 . . . . 75.52 111.073 -171.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.02 21.94 54.0 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 116.023 -0.535 . . . . 73.32 113.89 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -93.94 177.13 6.08 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.194 0.598 . . . . 72.54 111.041 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -117.78 101.0 7.96 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.484 0.713 . . . . 75.23 110.216 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.07 113.29 25.23 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.975 0.51 . . . . 72.24 111.556 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 165.65 21.7 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 115.803 -0.635 . . . . 62.35 110.272 165.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -55.98 -34.44 65.74 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.668 0.787 . . . . 74.34 113.017 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.448 HG12 HE21 ' B' ' 56' ' ' GLN . 48.3 t -71.88 -44.58 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.071 0.548 . . . . 75.32 110.633 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.6 mm-40 -59.42 -37.39 77.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.859 0.864 . . . . 71.44 112.172 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.8 -52.12 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.664 0.786 . . . . 74.23 110.718 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 36' ' ' LEU . 91.7 mt -53.02 -42.68 65.9 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.738 0.815 . . . . 73.0 111.775 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.448 HE21 HG12 ' B' ' 52' ' ' VAL . 77.4 mt-30 -62.09 -47.95 82.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.814 0.846 . . . . 74.35 112.131 177.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' B' ' 53' ' ' GLU . 19.2 mmt-85 -69.7 -24.7 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.955 0.502 . . . . 74.51 111.875 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.562 HG11 HG12 ' A' ' 58' ' ' VAL . 95.3 t -68.17 -44.84 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 122.834 0.454 . . . . 74.25 110.448 170.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.32 -46.57 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.966 0.506 . . . . 74.41 110.76 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -56.52 -42.97 79.31 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.899 0.879 . . . . 75.31 111.567 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.553 ' HB2' HG13 ' B' ' 40' ' ' VAL . 59.3 t80 -58.3 -55.31 36.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.3 1.04 . . . . 73.44 111.72 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 82.4 mt -62.72 -48.77 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.346 0.658 . . . . 71.34 111.365 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.59 -35.05 75.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.386 0.674 . . . . 75.41 111.989 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.85 -30.66 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.593 0.757 . . . . 73.03 111.622 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.64 -36.67 28.59 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.33 0.652 . . . . 74.35 111.719 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 85.4 mm-40 -70.92 -67.39 0.51 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 64.23 111.808 -175.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.18 153.34 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.885 0.874 . . . . 71.34 111.754 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.565 1.529 0 C-N-CA 123.592 0.757 . . . . 73.23 112.354 178.197 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 121.195 0.522 . . . . 71.42 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.24 -44.04 89.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.701 0.801 . . . . 74.11 109.795 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 ttm -53.15 -45.52 68.46 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.343 1.057 . . . . 54.33 112.577 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -45.3 85.44 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.398 0.679 . . . . 74.15 110.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.85 -45.26 95.24 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.939 0.896 . . . . 75.3 110.917 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -64.26 -39.27 93.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.501 1.12 . . . . 64.11 112.45 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 -44.99 95.47 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.392 0.677 . . . . 75.44 111.958 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 22.8 t -64.71 -41.83 95.72 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.874 -0.603 . . . . 73.02 110.368 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HD3' HD12 ' B' ' 59' ' ' ILE . 50.1 ttt180 -63.09 -34.47 77.66 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.577 1.151 . . . . 74.42 112.454 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 40' ' ' VAL . 68.8 mt -61.69 -52.31 64.83 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.242 0.544 . . . . 74.51 109.745 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' NH1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.39 -22.28 66.9 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.483 1.113 . . . . 63.34 111.814 -174.304 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 34' ' ' SER . 48.7 mm-40 -66.31 -41.89 89.07 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.451 0.7 . . . . 74.24 110.763 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.8 mt -93.11 -3.44 54.11 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.858 -1.065 . . . . 75.32 113.213 -170.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 36' ' ' LEU . 45.9 t -100.55 102.36 18.66 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 122.823 0.449 . . . . 75.44 111.45 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.79 -9.58 14.45 Favored 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.515 2.143 . . . . 75.54 112.394 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 -10.01 58.33 Favored Glycine 0 C--N 1.361 1.937 0 C-N-CA 123.461 0.553 . . . . 75.5 114.295 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG11 HD13 ' A' ' 49' ' ' LEU . 79.8 t -56.48 125.34 66.15 Favored Pre-proline 0 CA--C 1.565 1.523 0 C-N-CA 123.838 0.855 . . . . 75.22 111.324 172.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.22 149.54 88.57 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.301 2.0 . . . . 62.25 112.787 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.43 111.8 2.47 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.567 1.147 . . . . 75.12 112.999 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.48 81.43 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.184 0.834 . . . . 73.11 115.184 173.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -82.99 141.98 31.7 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.323 0.561 . . . . 73.0 111.166 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -53.4 51.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.209 1.004 . . . . 73.13 111.589 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD13 HG11 ' A' ' 43' ' ' VAL . 44.0 mt 66.63 121.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.687 1.595 . . . . 74.03 114.283 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -75.74 161.37 29.11 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.469 0.707 . . . . 74.45 110.484 167.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.84 -26.49 68.64 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.892 0.477 . . . . 73.41 111.427 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.9 t -71.63 -42.96 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 115.939 -0.573 . . . . 74.24 110.065 174.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.884 -0.598 . . . . 54.44 111.417 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.9 mt -55.45 -52.96 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.879 0.472 . . . . 74.42 110.488 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.618 HD23 HD12 ' B' ' 36' ' ' LEU . 94.6 mt -54.62 -48.57 72.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.743 0.817 . . . . 75.25 112.538 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 59' ' ' ILE . 47.1 mt-30 -68.41 -35.67 77.99 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.76 0.824 . . . . 63.33 112.554 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 94.5 mtt-85 -78.78 -18.76 53.64 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.306 0.642 . . . . 74.45 112.014 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG11 HG13 ' B' ' 58' ' ' VAL . 69.3 t -72.86 -41.25 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 109.853 -0.425 . . . . 74.24 109.853 166.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -55.02 -53.99 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 109.451 -0.574 . . . . 75.23 109.451 170.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' A' ' 57' ' ' ARG . 22.1 t70 -52.86 -43.24 65.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.64 1.576 . . . . 75.33 112.617 175.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.433 ' HB2' HG11 ' A' ' 40' ' ' VAL . 43.8 t80 -58.79 -51.03 71.72 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.531 1.133 . . . . 73.45 111.611 175.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' B' ' 39' ' ' LEU . 88.5 mt -64.76 -35.1 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.066 0.946 . . . . 75.55 111.524 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 83.1 mt -65.41 -34.56 78.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.378 0.671 . . . . 73.14 111.517 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.74 -36.5 67.75 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.657 0.783 . . . . 64.4 111.309 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.82 -45.8 92.27 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.494 0.664 . . . . 75.51 111.382 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' HG22 ' A' ' 62' ' ' ILE . 40.6 mt-30 . . . . . 0 N--CA 1.481 1.09 0 CA-C-N 114.715 -1.13 . . . . 73.12 111.391 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.238 0.542 . . . . 75.22 110.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.92 -30.84 69.32 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.847 0.859 . . . . 72.24 111.883 -175.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.616 ' HG2' HG22 ' A' ' 52' ' ' VAL . 43.0 mtp -73.21 -32.95 65.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.456 0.702 . . . . 64.41 112.168 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.56 -33.8 76.76 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.223 0.609 . . . . 73.21 111.17 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -59.28 -45.09 92.19 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.311 0.644 . . . . 75.25 110.499 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 m -66.57 -44.0 83.47 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.902 -1.045 . . . . 73.34 111.567 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.33 -44.68 95.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.295 1.038 . . . . 74.03 112.663 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 50.2 m -58.19 -45.7 87.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.707 0.803 . . . . 73.12 110.52 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.02 -32.4 70.55 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.808 1.243 . . . . 73.42 112.348 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 55' ' ' LEU . 84.3 mt -58.32 -54.32 48.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.147 0.579 . . . . 75.12 110.439 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -55.14 -33.91 63.3 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.781 1.232 . . . . 74.23 112.577 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 34' ' ' SER . 24.2 mm-40 -67.96 -33.13 74.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.596 0.758 . . . . 74.52 111.578 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.475 ' HB3' HG23 ' A' ' 62' ' ' ILE . 91.8 mt -89.12 1.33 55.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.888 0.875 . . . . 74.41 112.45 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.7 t -110.05 100.3 43.0 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 123.297 0.639 . . . . 75.33 111.764 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -67.74 -8.45 22.47 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 123.131 2.554 . . . . 74.42 113.448 169.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.02 0.87 57.54 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 114.026 0.371 . . . . 60.32 114.026 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.13 117.39 67.92 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.779 0.832 . . . . 75.03 110.316 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.81 151.16 85.07 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.912 2.408 . . . . 63.32 113.167 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -72.71 99.52 2.61 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.464 0.706 . . . . 73.24 110.102 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.19 75.07 1.26 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-N 116.316 -0.402 . . . . 65.13 112.485 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -140.56 173.06 11.87 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.957 0.903 . . . . 73.01 111.524 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -120.59 112.8 19.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.812 0.845 . . . . 74.34 110.359 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.24 102.28 6.38 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.703 0.801 . . . . 74.44 110.317 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 34.9 m -79.36 -75.13 0.26 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.783 0.433 . . . . 74.32 110.841 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -147.01 -55.76 0.25 Allowed 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 123.474 0.71 . . . . 73.14 110.948 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.12 -45.21 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.33 0.652 . . . . 65.3 110.393 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.64 -36.4 83.71 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.693 -1.139 . . . . 74.05 111.146 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 58' ' ' VAL . 58.8 mt -59.49 -50.39 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.358 0.663 . . . . 75.43 110.704 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.403 HD22 HD11 ' A' ' 36' ' ' LEU . 95.9 mt -55.33 -42.37 73.69 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.281 0.632 . . . . 73.22 112.001 177.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -66.13 -35.88 81.68 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.975 0.91 . . . . 73.41 111.766 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -70.56 -34.28 72.05 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.888 0.475 . . . . 72.12 111.415 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.431 HG13 HG11 ' A' ' 58' ' ' VAL . 93.7 t -67.61 -44.77 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.016 0.526 . . . . 75.01 110.773 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.471 HD12 ' HD3' ' A' ' 35' ' ' ARG . 70.1 mt -60.55 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.932 -0.396 . . . . 75.41 109.932 174.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -56.22 -37.97 70.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.066 0.946 . . . . 65.42 111.892 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 40' ' ' VAL . 77.6 t80 -64.06 -46.7 83.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.946 0.898 . . . . 75.23 111.708 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 58' ' ' VAL . 52.8 mt -67.93 -39.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 120.859 0.361 . . . . 73.42 110.266 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.85 -32.43 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.186 0.994 . . . . 65.51 111.589 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.65 -38.03 89.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.136 0.974 . . . . 61.54 111.226 176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.48 -39.61 22.24 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.848 -0.615 . . . . 73.13 111.923 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -87.57 -67.34 0.83 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.48 0.712 . . . . 74.2 112.05 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.98 107.58 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.806 0.843 . . . . 74.51 111.53 -171.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 CA--C 1.569 1.678 0 C-N-CA 123.506 0.723 . . . . 73.43 112.459 178.038 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.021 0.438 . . . . 75.53 112.146 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' A' ' 31' ' ' HIS . 33.0 t70 -63.23 -30.98 72.02 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.88 0.472 . . . . 63.03 111.085 175.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.579 ' HG2' HG22 ' B' ' 52' ' ' VAL . 40.8 mtp -64.3 -35.66 81.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.785 -0.643 . . . . 73.21 111.288 177.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -64.01 -33.12 75.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.338 0.655 . . . . 74.01 111.508 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' HD2' ' HA ' ' A' ' 28' ' ' ASP . 93.4 m-70 -63.19 -37.97 89.33 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.883 0.473 . . . . 70.42 111.137 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -71.75 -43.93 64.96 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.659 0.784 . . . . 74.02 111.879 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -64.09 -33.12 75.05 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.832 0.853 . . . . 75.41 111.693 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -55.44 -47.53 75.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.724 0.809 . . . . 74.41 111.093 172.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -31.64 61.56 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.34 -0.845 . . . . 75.44 111.345 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.3 mt -62.92 -27.1 69.15 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.294 0.497 . . . . 72.14 111.504 174.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -68.66 -30.84 69.62 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.798 0.332 . . . . 75.21 111.555 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.78 -31.94 25.65 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.842 0.857 . . . . 52.35 111.034 -175.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HB3' HG23 ' B' ' 62' ' ' ILE . 57.7 mt -75.01 -19.45 60.06 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.083 0.953 . . . . 74.3 112.237 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.606 HG13 ' HG2' ' A' ' 57' ' ' ARG . 13.2 t -111.79 97.3 37.0 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 123.37 0.668 . . . . 74.42 109.925 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.38 -18.48 20.37 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.581 2.188 . . . . 61.55 113.143 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.82 4.77 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.051 0.358 . . . . 70.25 113.312 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.76 116.88 67.22 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.806 0.842 . . . . 65.43 109.561 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.89 125.66 19.72 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 122.957 2.438 . . . . 73.21 113.715 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -65.29 103.98 0.87 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.223 0.609 . . . . 75.41 110.519 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.24 33.59 1.11 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.101 -0.5 . . . . 63.4 113.061 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -117.64 166.8 11.96 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.487 0.715 . . . . 74.01 111.285 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -116.11 -49.3 2.7 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.252 0.621 . . . . 74.53 111.168 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD12 ' NH1' ' A' ' 57' ' ' ARG . 42.9 mt 66.73 135.35 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 125.158 1.383 . . . . 71.54 112.621 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 m -131.52 -74.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.881 -0.512 . . . . 74.54 111.706 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -126.96 -78.71 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.306 0.484 . . . . 64.52 112.306 -169.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.0 t -71.93 -33.43 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-O 121.673 0.749 . . . . 75.02 111.163 -171.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.2 -32.27 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.482 1.513 . . . . 73.4 111.577 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.465 HG23 HH22 ' A' ' 57' ' ' ARG . 66.9 mt -67.48 -48.34 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.547 0.739 . . . . 72.51 111.214 176.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.33 -47.79 82.6 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.358 0.663 . . . . 71.44 111.46 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.51 -39.78 92.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.976 0.91 . . . . 73.34 111.672 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.606 ' HG2' HG13 ' A' ' 40' ' ' VAL . 32.2 ttp-105 -65.75 -31.76 72.93 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.588 0.755 . . . . 75.12 111.724 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.2 -40.47 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.275 0.63 . . . . 71.24 110.905 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.69 -39.2 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 122.856 0.462 . . . . 75.25 110.502 173.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.22 -42.56 95.45 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.236 0.615 . . . . 75.44 111.715 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.494 ' HB2' HG11 ' A' ' 40' ' ' VAL . 79.0 t80 -58.96 -53.97 52.37 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.051 0.541 . . . . 72.52 111.759 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.29 -45.62 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.125 0.57 . . . . 72.44 111.709 -174.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.78 -29.62 68.04 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.379 0.511 . . . . 73.54 112.379 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.86 -38.04 89.26 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.001 0.52 . . . . 63.15 111.075 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -70.57 -40.52 73.28 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.045 -0.525 . . . . 73.22 111.519 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 113.276 0.843 . . . . 72.31 113.276 -175.237 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 108.794 -0.817 . . . . 71.43 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.0 -34.8 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.106 0.962 . . . . 71.11 112.499 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.646 ' HG2' HG22 ' A' ' 52' ' ' VAL . 31.2 mtp -66.31 -45.31 80.78 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.056 0.543 . . . . 74.13 111.42 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.59 -34.07 77.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.569 0.748 . . . . 74.14 111.446 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -65.21 -36.31 83.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.587 0.755 . . . . 52.43 111.496 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.19 -42.34 72.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.761 0.424 . . . . 75.35 110.842 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.84 -30.36 70.06 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.203 1.001 . . . . 75.44 111.937 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 53.2 m -58.72 -48.98 79.3 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.243 0.617 . . . . 63.0 110.664 175.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -75.2 -27.65 59.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.115 0.566 . . . . 73.42 112.508 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.14 -22.28 63.96 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.935 0.398 . . . . 75.21 110.769 168.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.45 ' NH2' HG23 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -88.37 -17.43 30.58 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.499 0.72 . . . . 75.11 111.451 173.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 34' ' ' SER . 15.5 mm-40 -88.82 -38.85 14.31 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.748 0.419 . . . . 74.02 111.791 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.37 -6.35 58.5 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.118 0.784 . . . . 64.44 113.118 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.98 102.41 50.55 Favored Pre-proline 0 N--CA 1.489 1.513 0 C-N-CA 122.872 0.469 . . . . 64.25 110.952 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.94 -3.84 12.46 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.822 2.348 . . . . 75.22 113.462 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.82 52.56 4.73 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.139 0.4 . . . . 71.03 113.602 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.45 HG23 ' NH2' ' B' ' 37' ' ' ARG . 60.3 t -104.26 136.46 19.18 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.876 1.27 . . . . 74.22 109.75 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.87 166.46 22.51 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.581 2.187 . . . . 75.33 113.441 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -71.95 94.8 1.5 Allowed 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 121.291 0.567 . . . . 75.34 109.756 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.34 -170.96 17.0 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 115.526 -0.761 . . . . 71.04 112.392 -167.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.8 m 65.96 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.808 1.243 . . . . 72.04 112.443 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.08 -13.79 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.959 0.904 . . . . 73.55 112.242 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 92.9 mt 74.1 108.57 0.07 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.908 1.683 . . . . 72.41 112.063 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.5 t -70.85 161.09 31.6 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.838 0.855 . . . . 62.42 111.219 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.41 -48.83 62.52 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 113.955 1.094 . . . . 73.32 113.955 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.579 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.9 t -74.69 -35.61 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 122.935 0.494 . . . . 75.05 111.212 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.26 84.59 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.464 0.706 . . . . 71.2 110.55 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.411 ' O ' HG21 ' B' ' 58' ' ' VAL . 83.8 mt -58.16 -49.75 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.102 0.561 . . . . 73.12 110.517 173.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 59' ' ' ILE . 96.0 mt -53.73 -50.55 65.71 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.282 0.633 . . . . 75.4 111.923 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.407 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -66.65 -34.9 78.89 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.165 0.986 . . . . 64.53 112.123 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -74.81 -33.48 62.21 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.585 0.754 . . . . 75.44 111.717 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.411 HG21 ' O ' ' B' ' 54' ' ' ILE . 72.8 t -67.3 -39.39 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.88 0.472 . . . . 75.34 110.594 172.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 55' ' ' LEU . 91.5 mt -57.57 -52.74 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.642 0.377 . . . . 74.1 110.285 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.46 -42.85 74.86 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.1 0.96 . . . . 73.4 112.42 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.89 -47.69 83.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.51 0.724 . . . . 72.5 112.051 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.524 HG23 ' HB3' ' A' ' 39' ' ' LEU . 65.1 mt -72.87 -26.67 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.354 0 CA-C-N 116.266 -0.425 . . . . 74.22 111.621 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 78.9 mt -60.94 -35.14 75.95 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.981 0.512 . . . . 64.03 111.456 172.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.72 -32.29 73.77 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.17 0.588 . . . . 74.52 111.361 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.46 -30.14 42.02 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.602 0.761 . . . . 75.01 111.905 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -107.78 -161.6 0.79 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.049 0.94 . . . . 71.13 111.228 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.1 120.48 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.288 0.635 . . . . 74.51 112.362 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.488 -0.768 . . . . 73.1 109.645 168.128 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 CA--C 1.551 0.988 0 N-CA-C 113.11 0.781 . . . . 62.24 113.11 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.64 -28.05 69.65 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.929 -0.578 . . . . 74.32 110.491 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.554 ' HB3' HG23 ' B' ' 52' ' ' VAL . 3.3 ptp -64.73 -30.23 71.23 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 111.959 0.355 . . . . 73.21 111.959 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -64.18 -47.53 79.47 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.23 0.612 . . . . 75.33 109.838 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -63.68 -41.44 98.16 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.455 0.702 . . . . 75.3 111.265 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 88.6 m -64.23 -36.49 84.25 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.111 0.965 . . . . 63.42 112.318 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.15 -42.95 93.29 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.032 0.933 . . . . 74.42 111.672 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 57.3 m -64.88 -41.37 95.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.489 -0.778 . . . . 72.2 111.048 173.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.26 -29.21 67.96 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.382 1.073 . . . . 75.3 111.479 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD11 HD23 ' B' ' 55' ' ' LEU . 83.0 mt -60.82 -55.47 32.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.715 -0.846 . . . . 74.04 108.715 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 78.7 mtm180 -53.51 -27.3 24.8 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.916 0.886 . . . . 64.32 113.279 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' SER . 14.0 mm-40 -76.31 -36.29 58.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.102 0.477 . . . . 74.15 110.975 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 62' ' ' ILE . 98.0 mt -92.0 -23.25 19.6 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.775 0.83 . . . . 73.12 113.14 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 61' ' ' TYR . 90.8 t -93.81 109.17 39.85 Favored Pre-proline 0 N--CA 1.488 1.463 0 C-N-CA 123.786 0.834 . . . . 73.2 111.98 -173.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.62 -12.93 29.64 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.117 2.545 . . . . 74.53 112.832 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.05 67.23 Favored Glycine 0 C--N 1.361 1.955 0 C-N-CA 122.996 0.332 . . . . 74.25 112.817 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 40' ' ' VAL . 93.5 t -76.08 110.17 10.33 Favored Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.642 0.777 . . . . 74.41 109.092 165.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -178.12 1.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.742 2.295 . . . . 75.33 113.317 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -55.69 102.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.081 0.952 . . . . 74.42 112.269 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.69 -92.05 0.6 Allowed Glycine 0 C--N 1.35 1.361 0 CA-C-N 115.756 -0.656 . . . . 64.42 112.203 -174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 m 71.22 148.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.251 1.42 . . . . 75.1 113.075 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -95.89 97.36 9.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.683 0.793 . . . . 75.23 109.714 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 53' ' ' GLU . 88.7 mt -117.47 124.23 48.27 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.256 0.622 . . . . 75.13 111.155 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -77.98 177.85 7.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.471 0.709 . . . . 74.14 110.784 170.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.541 ' HA ' HE21 ' A' ' 51' ' ' GLN . 0.0 OUTLIER -58.32 -38.74 77.72 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.497 0.719 . . . . 75.34 112.515 -177.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.655 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.4 t -68.0 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-O 121.094 0.473 . . . . 65.44 110.462 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HB3' HD23 ' A' ' 49' ' ' LEU . 31.4 mm-40 -58.37 -36.01 72.84 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.5 1.12 . . . . 44.3 112.955 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.56 -46.88 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.315 0.246 . . . . 74.21 110.54 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -55.49 -45.38 77.01 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.481 0.712 . . . . 75.21 111.877 176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.74 -36.89 70.6 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.545 0.738 . . . . 74.23 111.985 -176.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.45 68.81 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.189 0.596 . . . . 74.15 111.639 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 40' ' ' VAL . 79.0 t -67.14 -44.14 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 122.586 0.355 . . . . 63.4 110.499 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 76.1 mt -58.92 -41.54 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.761 0.424 . . . . 74.42 110.736 176.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HA ' HD11 ' A' ' 63' ' ' LEU . 63.0 m-20 -59.54 -44.88 93.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.475 0.71 . . . . 71.32 111.562 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.522 ' HB2' HG11 ' A' ' 40' ' ' VAL . 49.8 t80 -56.85 -44.71 82.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.487 0.715 . . . . 74.4 111.786 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' B' ' 39' ' ' LEU . 39.9 mt -70.07 -28.6 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-N 116.42 -0.354 . . . . 71.25 110.546 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 97.5 mt -62.99 -37.48 87.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.871 0.469 . . . . 73.03 111.241 172.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.76 -39.3 88.22 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.076 0.55 . . . . 71.51 111.91 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 62' ' ' ILE . 55.3 mt -70.42 -45.95 64.89 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.957 0.903 . . . . 74.35 112.059 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 . . . . . 0 N--CA 1.479 0.998 0 CA-C-N 115.338 -0.846 . . . . 72.31 111.641 -176.475 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 . . . . . 0 CA--C 1.547 0.861 0 CA-C-O 121.574 0.702 . . . . 62.41 112.261 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.48 -30.77 69.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.01 0.924 . . . . 71.32 111.389 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.655 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.6 mtp -62.8 -46.07 89.69 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.877 0.471 . . . . 64.12 111.06 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.65 -39.81 94.33 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.401 1.081 . . . . 71.11 111.659 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -69.46 -38.14 77.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.889 0.476 . . . . 73.23 110.553 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 99.1 m -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.158 0.583 . . . . 74.01 111.607 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -63.74 -36.39 83.7 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.095 0.958 . . . . 74.34 111.489 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -60.79 -51.3 69.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.4 0.68 . . . . 74.21 110.372 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -65.88 -28.03 68.65 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 113.42 0.896 . . . . 73.13 113.42 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.443 ' O ' HG23 ' B' ' 40' ' ' VAL . 84.0 mt -60.27 -54.47 45.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 109.092 -0.707 . . . . 73.42 109.092 169.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -63.13 -20.91 65.82 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.631 0.974 . . . . 75.15 113.631 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.28 -37.69 19.73 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.506 0.322 . . . . 71.43 111.029 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 62' ' ' ILE . 70.4 mt -91.31 -11.16 38.81 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.368 0.667 . . . . 75.02 112.573 -175.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 36' ' ' LEU . 58.2 t -99.91 105.72 36.58 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.337 0.655 . . . . 70.3 110.731 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.52 -2.5 12.29 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.497 2.132 . . . . 74.25 113.166 173.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.66 -12.65 80.6 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.884 -0.398 . . . . 75.41 114.063 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.15 119.48 49.43 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.553 0.741 . . . . 73.33 111.189 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.54 142.98 55.44 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.817 2.344 . . . . 71.13 112.444 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.88 132.41 40.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 72.22 110.543 -176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.99 -14.01 40.7 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-O 119.771 -0.461 . . . . 74.11 114.225 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -83.58 114.72 21.73 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.58 0.69 . . . . 73.04 110.974 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -76.16 120.71 21.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.018 0.527 . . . . 71.44 110.309 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.82 130.69 53.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.461 0.704 . . . . 74.12 111.542 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.9 t -79.43 172.66 13.48 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.092 0.557 . . . . 74.33 110.959 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -46.92 -48.34 21.4 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.57 1.148 . . . . 64.11 113.456 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 29' ' ' MET . 11.8 t -72.62 -40.3 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 114.959 -1.019 . . . . 74.43 111.212 -177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.35 -33.73 71.51 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.134 0.974 . . . . 74.52 111.912 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 90.6 mt -58.71 -56.36 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.59 0.756 . . . . 75.11 110.466 171.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.494 HD23 HD11 ' A' ' 36' ' ' LEU . 88.8 mt -60.55 -38.26 83.92 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.842 0.857 . . . . 71.14 112.605 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.479 HE21 HG13 ' B' ' 52' ' ' VAL . 74.5 mt-30 -57.5 -51.42 69.52 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.969 0.908 . . . . 73.22 111.492 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -75.44 -19.13 59.66 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.773 0.657 . . . . 72.43 112.773 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.457 ' O ' HG13 ' B' ' 62' ' ' ILE . 78.0 t -68.21 -43.82 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 109.683 -0.488 . . . . 74.31 109.683 167.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.36 -49.87 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.029 0.532 . . . . 73.51 110.567 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.16 -37.28 79.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.812 0.845 . . . . 73.32 112.662 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.412 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 79.7 t80 -58.92 -48.03 82.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.471 1.108 . . . . 71.41 111.138 175.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 39' ' ' LEU . 60.5 mt -69.98 -38.58 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.729 0.812 . . . . 64.35 111.247 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.12 -34.11 74.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.923 0.889 . . . . 74.44 112.696 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.86 -36.12 82.88 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.973 0.909 . . . . 75.22 111.222 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.2 mt -73.63 -41.83 62.26 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.632 0.773 . . . . 74.42 111.692 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.432 HE21 HG22 ' B' ' 62' ' ' ILE . 47.2 mt-30 -93.74 -175.65 3.81 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.348 -0.842 . . . . 65.52 112.839 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.24 132.61 32.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 123.79 0.836 . . . . 73.21 112.355 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.493 1.701 0 C-N-CA 124.614 1.166 . . . . 73.4 110.6 175.002 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.554 1.11 0 N-CA-C 110.627 -0.138 . . . . 74.13 110.627 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.03 -43.25 60.86 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 123.903 0.881 . . . . 75.45 112.099 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.492 ' HE1' HG21 ' B' ' 52' ' ' VAL . 26.2 ttm -65.38 -42.96 92.16 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.569 -1.196 . . . . 74.44 112.62 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.71 -38.92 77.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.847 0.459 . . . . 74.41 111.582 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -57.94 -44.42 86.95 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.455 0.702 . . . . 73.32 110.8 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' B' ' 55' ' ' LEU . 99.0 m -63.74 -45.85 88.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.35 -0.841 . . . . 72.43 112.053 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -65.93 -36.16 82.59 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.646 0.778 . . . . 74.31 112.519 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.6 m -65.79 -43.79 87.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.696 0.398 . . . . 62.12 110.308 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -31.46 69.65 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.734 -0.667 . . . . 74.12 111.316 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' O ' HG21 ' A' ' 40' ' ' VAL . 69.8 mt -58.41 -54.84 42.44 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.44 -0.578 . . . . 62.23 109.44 171.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.2 -25.9 59.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.291 1.036 . . . . 75.04 112.624 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.57 -44.32 35.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.721 0.409 . . . . 64.21 111.036 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB3' HG22 ' B' ' 62' ' ' ILE . 91.0 mt -76.11 -17.49 59.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.173 0.589 . . . . 72.03 111.974 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG11 ' HB2' ' A' ' 61' ' ' TYR . 59.9 t -100.56 101.49 15.45 Favored Pre-proline 0 N--CA 1.486 1.339 0 C-N-CA 123.608 0.763 . . . . 64.43 111.406 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 13.0 Cg_exo -71.59 -10.09 26.12 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.149 2.566 . . . . 74.25 112.559 170.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.23 -13.48 53.97 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 123.437 0.542 . . . . 43.0 114.272 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG21 ' HG2' ' A' ' 57' ' ' ARG . 24.4 t -81.65 114.39 49.63 Favored Pre-proline 0 CA--C 1.562 1.408 0 C-N-CA 123.304 0.642 . . . . 73.1 110.029 170.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.38 -178.81 1.6 Allowed 'Trans proline' 0 CA--C 1.563 1.947 0 C-N-CA 122.473 2.115 . . . . 72.04 113.501 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -68.52 110.53 4.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.541 0.737 . . . . 73.32 112.053 -173.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.64 22.48 75.25 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 115.056 0.783 . . . . 42.32 115.056 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.2 m -73.63 111.0 8.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.152 0.581 . . . . 65.42 111.582 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -81.78 110.5 17.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.771 0.828 . . . . 73.43 111.26 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.03 146.15 42.4 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.869 0.867 . . . . 75.23 110.63 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.6 p -71.65 164.64 25.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.888 -0.412 . . . . 74.43 109.888 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.89 -31.18 62.61 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.114 0.566 . . . . 74.04 111.911 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.597 HG23 ' HG2' ' B' ' 29' ' ' MET . 2.9 t -69.55 -47.72 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.271 0.629 . . . . 53.42 110.298 176.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.1 -26.49 65.84 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.302 -0.863 . . . . 75.31 112.535 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 58' ' ' VAL . 68.8 mt -65.3 -48.35 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.339 -0.615 . . . . 75.24 109.339 172.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.53 -45.07 69.65 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.339 0.656 . . . . 75.31 111.681 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.42 HE21 HG13 ' A' ' 52' ' ' VAL . 69.6 mt-30 -65.29 -36.93 85.6 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.184 0.994 . . . . 74.5 112.158 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' HG2' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -70.57 -34.47 72.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.804 0.442 . . . . 75.32 110.631 178.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 62' ' ' ILE . 86.6 t -69.13 -39.86 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.432 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.75 -49.75 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.276 0.63 . . . . 73.41 110.339 173.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.0 -39.99 83.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.961 0.904 . . . . 75.34 111.547 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' HB2' HG11 ' A' ' 40' ' ' VAL . 63.9 t80 -65.23 -46.25 81.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.636 0.775 . . . . 72.42 112.52 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 58' ' ' VAL . 48.1 mt -68.61 -33.23 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.568 -0.53 . . . . 74.02 109.568 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.86 -35.9 75.75 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.207 0.603 . . . . 74.44 111.775 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' TYR . 24.0 t70 -61.17 -32.39 72.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.322 0.649 . . . . 71.44 111.51 172.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.79 -30.52 22.96 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.632 0.773 . . . . 74.24 112.514 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 12.6 mm-40 . . . . . 0 N--CA 1.487 1.422 0 C-N-CA 123.376 0.67 . . . . 72.53 111.528 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.555 1.171 0 CA-C-O 121.282 0.563 . . . . 71.44 112.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.54 -28.89 67.38 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.787 0.835 . . . . 72.04 111.325 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.597 ' HG2' HG23 ' A' ' 52' ' ' VAL . 26.3 mtp -65.42 -46.89 78.19 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.612 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.2 -29.16 69.94 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.519 0.728 . . . . 75.42 111.181 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -62.54 -47.25 84.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.726 0.81 . . . . 74.54 110.628 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.94 -40.49 87.58 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.386 -0.825 . . . . 64.22 111.419 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -62.61 -36.58 83.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.04 0.936 . . . . 74.2 111.983 176.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 32.4 t -65.19 -40.81 94.74 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.199 0.6 . . . . 73.13 110.938 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -71.75 -30.97 66.17 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.73 0.412 . . . . 73.34 111.847 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 40' ' ' VAL . 83.7 mt -60.66 -47.36 86.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.649 0.379 . . . . 73.52 110.397 171.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -53.33 -27.41 23.17 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.932 0.893 . . . . 74.13 113.154 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 34' ' ' SER . 21.8 mm-40 -84.68 -36.37 21.95 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.883 0.873 . . . . 75.11 110.459 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.417 ' HB3' HG22 ' A' ' 62' ' ' ILE . 81.9 mt -85.02 -6.95 59.32 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 63.11 113.232 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 36' ' ' LEU . 47.1 t -112.44 95.14 30.29 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.024 0.529 . . . . 72.21 111.062 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.83 -8.1 18.65 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.848 2.365 . . . . 72.52 113.716 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 7.11 31.8 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.58 0.592 . . . . 55.13 114.58 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.89 116.9 64.45 Favored Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 123.368 0.667 . . . . 74.55 110.19 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.75 172.53 6.84 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.412 2.741 . . . . 73.4 113.946 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -71.71 84.71 0.9 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.299 0.64 . . . . 71.35 110.206 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.9 122.59 0.65 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 116.003 -0.544 . . . . 72.13 112.262 -172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -160.5 175.19 13.02 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.474 0.71 . . . . 72.54 110.913 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -111.96 89.96 3.21 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 122.048 0.927 . . . . 74.44 110.903 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -105.42 100.55 10.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.752 0.821 . . . . 74.53 110.34 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -82.71 -80.94 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.562 0.345 . . . . 63.11 110.796 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -143.87 -56.07 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.236 0.614 . . . . 71.01 110.393 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.492 HG21 ' HE1' ' A' ' 29' ' ' MET . 13.9 t -65.25 -36.99 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 123.085 0.554 . . . . 71.35 110.361 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.12 -40.76 77.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.739 0.816 . . . . 74.04 111.491 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.19 -48.79 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.314 -0.857 . . . . 65.14 110.45 177.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 32' ' ' CYS . 90.1 mt -57.0 -49.58 75.33 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.352 0.661 . . . . 73.32 112.086 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.97 -38.45 91.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.397 1.079 . . . . 74.43 111.768 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -71.56 -33.62 69.26 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.28 0.632 . . . . 74.45 111.638 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.402 HG11 HG13 ' A' ' 58' ' ' VAL . 68.3 t -67.16 -46.36 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.978 0.511 . . . . 74.2 110.456 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.28 -49.11 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.024 0.53 . . . . 73.44 110.642 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.38 -37.68 81.54 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.371 0.669 . . . . 63.3 111.56 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.96 -51.61 68.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.774 0.83 . . . . 71.24 111.122 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.424 HG22 ' HB3' ' A' ' 39' ' ' LEU . 69.9 mt -65.27 -46.09 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 115.1 -0.954 . . . . 74.45 111.323 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.27 -33.06 72.92 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.709 0.803 . . . . 72.45 111.865 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.12 -31.03 67.25 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.518 0.727 . . . . 73.01 111.155 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.0 mt -77.36 -43.7 31.96 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.008 0.523 . . . . 75.44 111.632 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.36 -38.64 81.63 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.656 0.782 . . . . 61.43 111.799 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.9 t 60.36 96.61 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.52 0 C-N-CA 124.955 1.302 . . . . 74.45 112.132 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 CA--C 1.578 2.023 0 C-N-CA 124.985 1.314 . . . . 75.02 112.181 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.636 -0.505 . . . . 74.41 109.636 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.86 119.32 2.71 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.566 -0.614 . . . . 71.44 111.566 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -140.87 159.0 43.15 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.149 0.579 . . . . 75.35 111.955 -174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -111.79 170.7 7.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.61 0.764 . . . . 73.33 110.014 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -126.82 89.7 3.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.958 0.503 . . . . 73.15 109.857 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.84 98.25 7.74 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 109.784 -0.45 . . . . 75.51 109.784 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -159.07 137.57 10.8 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.857 0.863 . . . . 72.54 110.442 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -141.05 147.38 38.52 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.053 0.941 . . . . 75.23 109.616 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.412 ' HB2' ' HA2' ' B' ' 42' ' ' GLY . 57.9 m -139.36 132.09 29.04 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.545 0.738 . . . . 74.54 110.075 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -140.4 92.74 2.55 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.882 0.873 . . . . 71.11 109.636 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.2 ttm -128.14 -46.99 1.35 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.209 0.604 . . . . 73.12 110.341 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' B' ' 41' ' ' PRO . . . 125.54 158.8 10.09 Favored Glycine 0 N--CA 1.479 1.529 0 CA-C-N 116.661 -0.245 . . . . 74.51 113.676 173.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.48 -88.76 1.22 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 122.828 0.252 . . . . 60.23 113.356 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.07 13.56 80.99 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 113.998 0.359 . . . . 75.42 113.998 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -77.85 140.38 39.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.986 0.914 . . . . 75.12 110.823 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.45 155.71 12.68 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.796 -0.447 . . . . 52.24 113.245 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.38 -26.5 20.42 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.967 2.445 . . . . 71.33 112.525 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.75 -173.66 0.17 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.948 1.299 . . . . 71.3 113.364 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.47 141.31 50.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.62 0.768 . . . . 64.53 110.849 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.92 147.55 43.04 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.318 0.647 . . . . 72.3 112.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.644 ' HB2' ' HB3' ' B' ' 50' ' ' SER . 41.3 mt-10 -126.28 164.72 32.17 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 124.077 0.951 . . . . 74.1 109.71 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 103.69 0.1 Allowed 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.137 1.891 . . . . 72.41 111.165 166.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.26 109.19 1.8 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.565 0.58 . . . . 75.55 112.565 -170.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 27' ' ' ASP . 35.3 t 71.46 123.65 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.544 1.537 . . . . 75.32 113.396 174.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -102.08 -56.12 2.34 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.981 0.912 . . . . 75.52 110.345 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -112.5 31.01 6.63 Favored 'General case' 0 CA--C 1.564 1.516 0 C-N-CA 124.011 0.924 . . . . 75.53 109.466 -175.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' OG ' ' A' ' 24' ' ' SER . 9.7 m-20 54.42 40.23 31.62 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.694 0.797 . . . . 73.32 110.825 -171.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.45 -35.07 73.36 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 114.469 -1.241 . . . . 64.4 111.281 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.439 ' HB2' HG23 ' B' ' 52' ' ' VAL . 22.4 ttm -53.91 -44.56 70.66 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.899 1.28 . . . . 73.43 112.413 173.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -65.49 -40.48 93.11 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 122.997 0.519 . . . . 73.01 111.411 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -61.27 -43.61 98.59 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.127 0.489 . . . . 74.32 111.192 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.44 -47.64 78.3 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.426 -0.806 . . . . 62.15 112.275 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.36 -32.28 73.05 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.232 0.827 . . . . 74.53 113.232 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -63.11 -52.68 61.62 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.824 0.449 . . . . 75.02 110.634 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -65.8 -32.27 73.7 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.051 0.941 . . . . 72.03 112.727 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 40' ' ' VAL . 74.9 mt -60.81 -55.01 38.23 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.937 0.495 . . . . 74.02 111.032 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.29 -18.68 51.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.665 0.987 . . . . 75.2 113.665 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.32 -34.56 21.83 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.038 0.535 . . . . 74.52 110.887 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.5 mt -78.46 -29.53 46.94 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.326 0.65 . . . . 72.13 111.509 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 36' ' ' LEU . 57.3 t -86.58 109.93 27.86 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 123.858 0.863 . . . . 72.42 110.228 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.64 -10.71 25.47 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.932 2.421 . . . . 74.53 113.92 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.65 29.08 3.36 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 115.424 0.929 . . . . 55.45 115.424 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.29 124.26 56.21 Favored Pre-proline 0 N--CA 1.484 1.229 0 CA-C-N 117.436 0.618 . . . . 73.44 109.91 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -71.28 139.78 35.79 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.771 2.314 . . . . 74.42 112.752 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -65.07 114.48 4.64 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.117 0.567 . . . . 74.01 111.535 177.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.76 16.87 14.33 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 116.217 -0.447 . . . . 70.11 113.87 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -114.84 140.09 49.23 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 117.603 0.701 . . . . 73.43 111.53 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.33 -43.8 11.87 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.83 -0.804 . . . . 75.4 108.83 173.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 HH11 ' A' ' 57' ' ' ARG . 76.2 mt 69.99 141.38 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 125.634 1.574 . . . . 73.25 112.095 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.401 ' HG ' ' HG3' ' A' ' 53' ' ' GLU . 59.0 p -80.38 162.54 24.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.746 0.418 . . . . 74.44 111.272 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.55 -38.19 68.99 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.196 0.998 . . . . 73.11 112.843 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.525 HG23 ' HG2' ' B' ' 29' ' ' MET . 6.6 t -74.99 -41.1 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 122.985 0.514 . . . . 74.13 111.698 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HG3' ' HG ' ' A' ' 50' ' ' SER . 36.0 mt-10 -54.08 -41.34 68.11 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.265 0.626 . . . . 65.43 112.18 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' O ' HG21 ' A' ' 58' ' ' VAL . 63.4 mt -56.4 -51.09 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 O-C-N 123.932 0.77 . . . . 74.2 110.775 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.39 -50.65 64.7 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.058 0.943 . . . . 74.24 112.7 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.12 -44.07 97.45 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.937 -1.029 . . . . 75.4 110.725 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.468 HH11 HD13 ' A' ' 49' ' ' LEU . 28.6 ttm180 -75.6 -24.07 56.52 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.618 1.167 . . . . 73.3 112.092 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 54' ' ' ILE . 53.6 t -70.66 -39.11 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.301 0.641 . . . . 62.23 109.757 171.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.706 HG21 ' HE ' ' B' ' 35' ' ' ARG . 77.5 mt -62.31 -45.68 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.797 0.439 . . . . 73.04 110.962 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -55.7 -43.75 76.74 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.188 0.595 . . . . 64.44 111.451 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -56.94 -46.65 81.92 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.123 0.969 . . . . 75.12 112.092 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 58' ' ' VAL . 62.5 mt -71.65 -27.26 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 122.752 0.421 . . . . 74.1 111.706 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 95.0 mt -59.36 -43.7 92.81 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.027 0.531 . . . . 73.42 111.701 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.82 -33.81 76.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 74.23 112.334 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.03 -35.08 66.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.241 0.616 . . . . 74.44 111.566 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.28 -84.96 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.615 0.766 . . . . 73.03 111.507 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -137.44 120.9 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 C-N-CA 123.889 0.876 . . . . 74.32 110.004 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.568 1.652 0 C-N-CA 123.226 0.61 . . . . 75.34 112.219 176.779 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.216 0.531 . . . . 73.43 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.04 43.24 0.02 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.415 -0.811 . . . . 71.11 111.908 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 m80 60.4 85.4 0.11 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.097 1.359 . . . . 71.12 112.012 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -67.36 136.16 54.35 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.965 0.906 . . . . 74.51 111.526 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -83.94 73.04 10.39 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.564 0.697 . . . . 74.44 110.594 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -126.83 165.62 18.99 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.026 0.93 . . . . 74.43 110.948 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -83.12 103.07 12.27 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.6 -0.727 . . . . 75.43 110.982 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -117.12 174.87 5.87 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.046 0.938 . . . . 65.21 111.157 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -134.2 42.24 2.9 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.836 0.855 . . . . 74.34 110.525 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -130.58 138.07 49.97 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.741 -0.663 . . . . 74.03 111.841 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' B' ' 12' ' ' GLY . 17.9 tmm? -83.67 176.06 9.26 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 123.907 0.883 . . . . 74.21 109.12 168.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SD ' ' B' ' 11' ' ' MET . . . -50.59 -32.21 23.71 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 115.379 0.912 . . . . 61.41 115.379 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.71 -61.08 0.44 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.982 0.391 . . . . 71.41 112.786 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.42 -107.33 0.32 Allowed Glycine 0 N--CA 1.473 1.154 0 N-CA-C 111.746 -0.541 . . . . 61.14 111.746 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -90.43 164.31 14.33 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.256 0.622 . . . . 73.02 111.234 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.66 -167.7 24.53 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.947 -0.569 . . . . 73.43 112.923 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.04 100.44 0.53 Allowed 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.675 2.25 . . . . 74.42 112.057 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.3 94.34 0.11 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.571 0.748 . . . . 64.23 112.174 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.06 103.3 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.606 0.762 . . . . 74.12 110.246 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -168.36 171.75 8.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.032 0.933 . . . . 74.55 110.701 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.18 147.37 25.92 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.476 0.71 . . . . 73.32 110.848 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -65.17 96.29 0.27 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.414 2.076 . . . . 71.41 112.519 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -66.93 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.786 0.435 . . . . 74.43 111.408 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m 73.27 -51.62 0.7 Allowed 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.658 1.583 . . . . 74.34 113.242 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp 68.63 -74.73 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.579 1.552 . . . . 75.31 112.223 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.46 -75.65 0.62 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 108.274 -1.01 . . . . 63.44 108.274 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -161.11 17.33 0.11 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.221 1.008 . . . . 53.21 109.339 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.94 -31.12 68.41 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.199 1.0 . . . . 63.21 113.001 -164.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.525 ' HG2' HG23 ' A' ' 52' ' ' VAL . 32.6 mtp -60.42 -46.77 88.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.875 0.47 . . . . 74.34 111.439 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.465 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 31.2 m-80 -72.68 -26.51 61.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.1 0.96 . . . . 73.13 112.047 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.26 -40.46 97.48 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.862 0.465 . . . . 74.03 110.964 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.28 -41.5 80.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.012 0.525 . . . . 64.13 111.447 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 17.8 m-85 -64.27 -36.47 84.21 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.02 0.928 . . . . 74.35 112.653 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 44.4 t -65.81 -45.68 81.44 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.809 0.444 . . . . 65.35 110.187 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.706 ' HE ' HG21 ' A' ' 59' ' ' ILE . 25.0 ttp180 -65.51 -26.04 67.73 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.867 0.867 . . . . 75.44 112.104 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 40' ' ' VAL . 90.6 mt -66.77 -51.55 54.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.988 0.515 . . . . 75.55 110.609 167.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.529 HH21 HD11 ' B' ' 54' ' ' ILE . 99.6 mtt180 -56.15 -32.48 64.31 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.054 0.941 . . . . 73.11 112.908 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.5 mm-40 -59.67 -37.11 77.87 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.686 0.794 . . . . 74.32 110.983 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.41 -3.12 47.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.88 0.872 . . . . 73.33 112.661 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 36' ' ' LEU . 45.6 t -101.06 106.16 43.02 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.867 0.467 . . . . 74.02 110.894 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.42 ' HB3' ' HA2' ' A' ' 12' ' ' GLY . 2.2 Cg_endo -83.57 13.35 2.71 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.449 2.766 . . . . 62.42 113.111 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 9' ' ' SER . . . -95.49 -15.09 45.01 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.382 0.515 . . . . 75.13 114.247 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.9 131.6 56.65 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.362 0.665 . . . . 72.14 111.014 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.14 -69.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 123.083 2.522 . . . . 75.21 113.834 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -179.13 -76.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.906 0.882 . . . . 75.32 109.621 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.01 66.0 0.4 Allowed Glycine 0 C--N 1.353 1.484 0 N-CA-C 111.514 -0.634 . . . . 52.52 111.514 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -102.59 172.05 7.08 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.647 0.779 . . . . 71.25 111.074 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -74.09 92.82 2.2 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.252 0.621 . . . . 75.24 110.905 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -114.25 102.97 10.63 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.366 0.667 . . . . 73.4 110.813 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.644 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 83.3 p -71.12 164.62 25.25 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.912 -0.403 . . . . 73.14 109.912 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.58 -29.66 59.44 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.021 0.528 . . . . 64.14 111.64 172.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 29' ' ' MET . 43.7 t -72.44 -51.82 27.01 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 124.001 0.92 . . . . 64.53 112.331 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.52 -26.85 66.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.269 0.47 . . . . 73.01 112.269 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.529 HD11 HH21 ' B' ' 37' ' ' ARG . 87.5 mt -58.45 -50.3 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 122.483 0.313 . . . . 73.43 110.495 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.99 -48.53 70.3 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.741 0.816 . . . . 75.43 111.722 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.75 -45.09 95.43 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.247 1.019 . . . . 73.32 111.556 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -75.02 -25.09 58.5 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.482 0.713 . . . . 72.42 112.363 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.24 -38.1 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.719 -0.474 . . . . 74.22 109.719 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 73.8 mt -62.47 -47.46 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 N-CA-C 110.209 -0.293 . . . . 73.04 110.209 172.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.54 -39.26 73.09 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.76 0.824 . . . . 73.3 111.748 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.3 -46.73 89.07 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.026 -0.988 . . . . 73.42 111.507 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.76 -27.74 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.551 0 CA-C-N 115.663 -0.698 . . . . 74.23 111.127 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 95.4 mt -67.87 -29.34 68.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.389 0.676 . . . . 75.2 111.333 176.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.54 -36.85 76.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.276 0.63 . . . . 74.45 110.64 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -79.15 -33.99 43.65 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.65 0.78 . . . . 75.2 112.572 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -87.6 -33.88 18.71 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.891 0.877 . . . . 75.45 111.665 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t 57.55 81.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.109 1.364 . . . . 73.12 111.103 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 124.111 0.965 . . . . 63.21 110.695 -176.273 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.475 0.179 . . . . 73.12 110.607 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.31 95.86 1.72 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.111 -0.495 . . . . 74.32 113.847 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -80.94 76.36 7.89 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.049 0.54 . . . . 74.42 109.839 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -70.61 128.36 35.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.475 0.71 . . . . 73.12 110.108 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -140.59 115.58 9.75 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.312 0.577 . . . . 74.52 110.941 -173.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -150.89 139.52 20.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.851 0.86 . . . . 72.31 110.013 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -139.54 96.25 3.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.531 -0.544 . . . . 75.25 109.531 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -150.89 155.49 39.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.029 0.932 . . . . 74.53 110.485 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 t -164.38 157.21 17.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.542 0.737 . . . . 74.34 110.917 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -122.18 133.26 54.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.853 0.861 . . . . 74.33 109.656 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.2 mtm -77.34 -13.84 59.85 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.71 0.804 . . . . 74.12 112.52 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.28 20.36 64.76 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 115.187 0.835 . . . . 33.33 115.187 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.35 98.32 0.44 Allowed Glycine 0 N--CA 1.48 1.627 0 CA-C-N 117.117 0.459 . . . . 72.31 112.389 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.2 -81.25 1.29 Allowed Glycine 0 N--CA 1.474 1.174 0 N-CA-C 110.532 -1.027 . . . . 71.11 110.532 -169.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt 58.1 102.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 125.096 1.358 . . . . 74.11 113.576 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.16 -73.12 0.36 Allowed Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.298 -0.723 . . . . 74.24 111.396 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -63.4 132.29 35.32 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.789 2.326 . . . . 74.42 112.242 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.58 112.09 0.69 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.541 0.736 . . . . 75.24 111.107 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.98 157.03 28.2 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 120.979 0.419 . . . . 72.52 110.68 171.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.78 151.95 32.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.508 0.723 . . . . 65.02 111.459 -169.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 1.6 pm0 -80.04 170.47 15.68 Favored Pre-proline 0 CA--C 1.568 1.648 0 C-N-CA 123.557 0.743 . . . . 70.21 109.301 163.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 21' ' ' GLU . 16.4 Cg_endo -56.44 88.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.181 1.921 . . . . 70.01 113.113 172.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -79.34 112.75 16.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.83 0.852 . . . . 74.41 110.925 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 p -156.04 -56.45 0.09 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.838 0.855 . . . . 75.4 109.826 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.29 -37.52 37.56 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.407 0.683 . . . . 75.41 110.044 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -73.42 107.38 5.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 107.85 -1.167 . . . . 73.24 107.85 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.26 92.7 1.41 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.397 0.679 . . . . 72.44 111.7 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -54.62 -43.05 71.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.652 0.781 . . . . 73.25 110.046 170.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.586 ' HG2' HG22 ' B' ' 52' ' ' VAL . 38.6 mtp -58.58 -49.12 78.62 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.526 -0.761 . . . . 74.33 111.576 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -70.97 -29.67 65.73 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.296 0.638 . . . . 73.54 111.646 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.68 -39.83 95.29 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.414 0.686 . . . . 71.24 110.346 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.23 -38.56 81.99 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.78 0.832 . . . . 72.41 112.088 173.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.94 -30.09 67.61 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.031 0.932 . . . . 73.21 112.908 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 m -58.36 -47.29 84.27 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.22 0.608 . . . . 71.32 111.322 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -71.95 -25.2 61.79 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.142 0.793 . . . . 75.23 113.142 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD11 HD23 ' B' ' 55' ' ' LEU . 67.8 mt -66.99 -19.73 65.76 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.742 0.417 . . . . 62.44 111.765 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -89.91 -30.61 17.74 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.898 -0.501 . . . . 72.52 111.902 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' SER . 8.0 mm-40 -72.33 -44.45 62.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.679 0.752 . . . . 73.33 111.288 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' B' ' 62' ' ' ILE . 87.5 mt -87.27 -1.49 57.94 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.788 -1.096 . . . . 74.32 112.76 -172.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 61' ' ' TYR . 77.1 t -111.39 105.34 56.84 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.515 0.726 . . . . 75.04 111.221 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.49 -15.66 30.85 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.169 2.579 . . . . 63.14 113.343 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.25 -26.6 64.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.451 0.548 . . . . 73.1 114.245 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.85 124.06 62.21 Favored Pre-proline 0 CA--C 1.565 1.556 0 C-N-CA 123.323 0.649 . . . . 74.14 110.594 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.42 -173.75 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.686 2.257 . . . . 73.55 113.731 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -60.77 103.8 0.29 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.48 0.712 . . . . 73.12 111.057 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.25 -109.83 3.06 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.885 -0.598 . . . . 53.34 112.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 m 64.66 115.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.115 1.366 . . . . 61.03 113.204 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -78.88 94.78 5.26 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.471 0.708 . . . . 74.33 110.138 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.72 134.79 41.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.769 0.827 . . . . 73.42 111.495 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -64.96 157.08 29.14 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.842 0.457 . . . . 72.11 109.997 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.47 -28.24 69.15 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.758 0.423 . . . . 74.45 112.116 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.5 t -72.13 -47.4 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 122.992 0.517 . . . . 73.5 110.653 171.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -55.77 -34.49 65.29 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.376 0.67 . . . . 74.21 111.913 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.8 mt -59.48 -50.36 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.351 0.66 . . . . 74.5 110.94 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.698 HD21 HD12 ' B' ' 36' ' ' LEU . 89.0 mt -57.55 -45.37 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.29 0.636 . . . . 75.14 111.67 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -34.2 77.67 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.153 0.981 . . . . 72.14 112.116 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.47 87.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.29 0.636 . . . . 63.0 111.061 172.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 54' ' ' ILE . 61.6 t -67.76 -39.8 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 123.174 0.59 . . . . 74.55 111.283 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.9 mt -58.52 -57.41 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.056 0.542 . . . . 75.44 110.373 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.61 -27.6 69.34 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.348 0.659 . . . . 73.31 112.657 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.572 ' HB2' HG11 ' A' ' 40' ' ' VAL . 24.1 t80 -61.47 -55.57 29.77 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.408 0.683 . . . . 73.32 111.362 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.576 ' HB ' HD13 ' B' ' 39' ' ' LEU . 45.9 mt -68.5 -31.24 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 C-N-CA 122.707 0.403 . . . . 75.5 110.951 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.27 -42.9 99.17 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.39 0.676 . . . . 74.03 111.535 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.13 -36.56 84.01 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.43 0.692 . . . . 74.41 111.823 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.4 mt -64.36 -47.12 80.51 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.19 0.596 . . . . 74.02 112.228 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -102.83 -55.5 2.42 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.405 -0.816 . . . . 63.15 112.53 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -75.29 105.34 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.276 0.63 . . . . 73.04 110.731 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 CA--C 1.565 1.54 0 C-N-CA 123.861 0.864 . . . . 73.31 110.849 177.375 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.109 -0.33 . . . . 73.04 110.109 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.71 172.44 54.41 Favored Glycine 0 N--CA 1.479 1.566 0 CA-C-O 120.373 -0.126 . . . . 75.03 113.147 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -81.24 102.7 10.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 117.189 0.494 . . . . 74.21 111.27 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -128.25 146.77 50.64 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 124.092 0.957 . . . . 75.23 109.873 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -82.31 109.16 16.32 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.613 0.365 . . . . 74.21 110.774 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -105.81 136.08 46.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.277 0.631 . . . . 72.41 110.39 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.488 ' ND1' ' HB2' ' B' ' 9' ' ' SER . 11.2 p80 -60.37 145.69 47.03 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.273 1.029 . . . . 74.32 112.33 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -60.97 -42.87 99.16 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.271 0.629 . . . . 74.02 111.575 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.488 ' HB2' ' ND1' ' B' ' 7' ' ' HIS . 34.5 t 66.2 -178.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.595 1.158 . . . . 74.31 113.011 172.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -159.88 136.99 9.45 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.012 0.925 . . . . 74.23 108.616 174.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 54.1 ttp -149.01 -48.01 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.891 0.377 . . . . 74.54 111.62 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.05 -90.36 0.13 Allowed Glycine 0 N--CA 1.469 0.841 0 N-CA-C 111.418 -0.673 . . . . 75.13 111.418 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.64 133.04 44.38 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 124.125 0.544 . . . . 61.15 113.986 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.78 -116.91 0.43 Allowed Glycine 0 C--N 1.349 1.301 0 CA-C-N 116.504 0.152 . . . . 71.14 113.359 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -106.85 106.47 17.01 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.988 0.915 . . . . 74.34 111.336 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.85 71.81 0.06 OUTLIER Glycine 0 CA--C 1.543 1.833 0 CA-C-O 119.874 -0.404 . . . . 72.12 113.341 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -80.17 -171.36 1.23 Allowed 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.188 2.592 . . . . 74.41 113.654 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.93 31.23 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.281 0.632 . . . . 61.11 111.714 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.59 -39.24 53.18 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.666 0.786 . . . . 72.24 111.812 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -147.91 171.06 16.36 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.648 0.779 . . . . 71.43 110.508 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.44 156.24 43.58 Favored Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.443 0.697 . . . . 72.22 111.473 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.44 -174.07 2.11 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.749 2.299 . . . . 71.31 112.606 169.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.39 119.78 16.03 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.9 0.48 . . . . 63.21 111.023 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -74.55 109.46 8.04 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.57 0.348 . . . . 74.55 110.141 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.62 -42.81 7.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.005 0.922 . . . . 74.24 110.495 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 tt -158.4 -58.37 0.07 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 107.0 -1.481 . . . . 74.03 107.0 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.72 75.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 74.43 111.986 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.07 -38.02 64.83 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 114.808 -1.087 . . . . 74.25 111.493 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.602 ' HG2' HG22 ' A' ' 52' ' ' VAL . 44.6 mtp -65.59 -37.11 85.7 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.516 -0.765 . . . . 74.42 112.003 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -65.35 -36.13 83.08 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.319 0.648 . . . . 73.42 110.892 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -65.83 -37.23 85.68 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.948 0.499 . . . . 74.31 110.958 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -67.48 -37.46 82.92 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.081 0.552 . . . . 75.22 111.952 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.38 -35.11 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.895 0.878 . . . . 75.52 111.795 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.1 t -60.63 -48.77 80.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.243 0.617 . . . . 61.24 110.675 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.21 -36.28 77.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.055 0.942 . . . . 75.34 112.565 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.698 HD12 HD21 ' A' ' 55' ' ' LEU . 80.5 mt -58.18 -55.87 29.34 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.781 -0.452 . . . . 72.33 109.781 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.28 -21.88 65.57 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.427 0.899 . . . . 74.52 113.427 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.02 -34.29 50.71 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.338 0.589 . . . . 74.25 110.483 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.576 HD13 ' HB ' ' A' ' 62' ' ' ILE . 97.1 mt -87.85 -18.87 28.29 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.141 0.976 . . . . 74.55 112.314 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 36' ' ' LEU . 46.0 t -105.34 100.53 26.22 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 123.717 0.807 . . . . 72.44 110.767 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.2 -7.46 16.15 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.822 2.348 . . . . 74.52 113.124 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.32 19.62 8.18 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.815 0.686 . . . . 75.35 114.815 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.78 131.82 85.59 Favored Pre-proline 0 CA--C 1.565 1.541 0 C-N-CA 123.471 0.708 . . . . 64.12 110.57 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.437 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 12.2 Cg_endo -53.86 156.48 12.2 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.323 2.682 . . . . 75.32 114.564 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.5 108.03 0.89 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.331 1.053 . . . . 74.53 112.435 -170.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.84 2.42 61.22 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 114.921 0.729 . . . . 60.43 114.921 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.437 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 26.1 m -89.83 128.04 36.09 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.265 0.626 . . . . 55.54 110.536 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -78.59 -29.89 46.35 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.37 0.668 . . . . 75.25 112.12 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.48 121.31 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.851 1.261 . . . . 73.43 110.842 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.0 m -66.51 -64.05 0.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.153 0.427 . . . . 54.52 112.153 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -161.31 -55.65 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.43 0.53 . . . . 71.03 112.43 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.586 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.0 t -73.42 -37.58 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 121.722 0.772 . . . . 74.21 110.69 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.46 -29.35 67.74 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.135 -1.393 . . . . 70.44 111.422 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -65.71 -50.14 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.333 0.653 . . . . 75.0 110.63 172.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.573 HD23 HD11 ' A' ' 36' ' ' LEU . 98.4 mt -59.59 -48.82 80.16 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.299 0.64 . . . . 70.04 112.283 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.41 -34.79 78.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.616 0.767 . . . . 72.2 111.72 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.85 -40.58 96.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.412 0.685 . . . . 74.54 111.085 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.406 ' O ' HG13 ' B' ' 62' ' ' ILE . 73.4 t -67.58 -45.18 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.728 0.811 . . . . 74.44 111.387 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.92 -53.14 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 122.898 0.479 . . . . 74.43 110.687 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.25 -40.18 81.11 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.95 0.9 . . . . 62.33 111.83 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.416 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 70.2 t80 -56.95 -50.58 72.19 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.416 1.087 . . . . 74.03 111.248 176.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.643 HG21 ' HB3' ' A' ' 39' ' ' LEU . 77.9 mt -65.01 -40.9 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.782 0.833 . . . . 73.42 111.578 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.52 -41.65 98.99 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.411 0.684 . . . . 74.11 111.306 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.4 -29.84 70.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.956 0.902 . . . . 75.11 111.844 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 76.1 mt -75.39 -54.8 6.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.917 0.487 . . . . 72.13 111.579 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -101.32 -90.67 0.33 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.243 0.617 . . . . 71.32 111.664 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 m -109.88 120.09 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.736 0.814 . . . . 61.32 111.32 -168.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 118.885 -0.579 . . . . 74.54 111.867 -179.194 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 111.732 0.271 . . . . 72.12 111.732 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.73 140.88 28.67 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.143 0.402 . . . . 65.25 113.912 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -90.64 149.2 22.19 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.183 0.593 . . . . 64.43 111.335 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -149.52 141.22 23.55 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.821 0.848 . . . . 60.5 110.677 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -164.86 -173.69 3.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.367 1.067 . . . . 75.42 110.008 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -157.09 166.33 33.58 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.211 0.604 . . . . 74.33 110.708 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -144.49 134.02 23.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.693 0.797 . . . . 71.24 109.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -92.86 151.36 20.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.237 0.615 . . . . 71.41 111.207 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -132.68 172.61 12.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.779 0.832 . . . . 64.32 110.586 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -146.17 141.78 27.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.32 0.648 . . . . 74.32 110.509 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.7 ptm -80.2 157.83 26.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.598 0.713 . . . . 75.44 112.448 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.02 -162.7 20.53 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.248 -0.887 . . . . 44.45 112.314 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.41 -122.9 31.46 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 114.631 0.613 . . . . 51.22 114.631 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.84 95.09 0.11 Allowed Glycine 0 CA--C 1.537 1.415 0 N-CA-C 111.9 -0.48 . . . . 73.02 111.9 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HG3' ' HB1' ' B' ' 18' ' ' ALA . 10.3 mtpm? -69.38 102.02 1.67 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.538 0.735 . . . . 64.34 110.914 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.17 -79.17 0.03 OUTLIER Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.412 -0.66 . . . . 64.14 113.045 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.74 109.76 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.93 2.42 . . . . 72.14 112.245 172.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' B' ' 27' ' ' ASP . . . -134.73 131.4 37.57 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.923 0.889 . . . . 63.53 111.707 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' B' ' 7' ' ' HIS . . . -79.2 141.13 37.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.097 0.559 . . . . 62.05 111.212 172.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.38 165.15 15.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.91 -0.586 . . . . 74.25 110.337 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -57.51 118.18 23.58 Favored Pre-proline 0 CA--C 1.572 1.799 0 C-N-CA 123.162 0.585 . . . . 63.41 111.941 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 5.8 Cg_exo -78.73 55.85 5.7 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.289 2.659 . . . . 65.33 112.763 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt 65.4 173.71 0.22 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.427 1.491 . . . . 71.33 113.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -157.02 158.91 37.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.455 0.702 . . . . 64.35 111.174 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 tt -100.85 -63.31 1.14 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 108.539 -0.912 . . . . 74.12 108.539 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -122.84 114.73 20.9 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.457 -0.942 . . . . 74.14 108.457 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.93 80.07 2.81 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.51 0.724 . . . . 71.13 112.867 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.3 -39.59 68.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.386 0.674 . . . . 75.02 110.065 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.635 ' HG2' HG22 ' B' ' 52' ' ' VAL . 46.7 mtp -62.07 -36.56 82.04 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.265 -0.879 . . . . 72.34 111.691 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.99 -41.36 87.44 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.728 0.811 . . . . 74.24 111.788 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -73.03 -30.51 63.79 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.824 0.45 . . . . 72.24 111.636 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' NE2' ' B' ' 56' ' ' GLN . 71.3 m -65.61 -41.56 92.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.975 0.51 . . . . 63.43 110.944 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -68.88 -33.29 73.54 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.441 1.096 . . . . 75.43 111.99 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 44.3 t -62.34 -48.63 78.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.32 0.648 . . . . 71.41 110.246 172.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.154 0.982 . . . . 75.14 113.108 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 HG21 ' A' ' 58' ' ' VAL . 96.9 mt -55.48 -55.24 34.04 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.703 0.627 . . . . 75.4 110.147 169.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.38 -27.08 65.65 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.803 1.241 . . . . 73.34 112.754 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' SER . 13.6 mm-40 -71.04 -41.19 71.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.239 0.542 . . . . 74.5 110.926 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.4 -23.36 37.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.153 -0.931 . . . . 75.24 111.622 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' LEU . 48.5 t -92.41 109.06 35.7 Favored Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 123.637 0.775 . . . . 72.03 110.853 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -83.42 -5.62 10.96 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.593 2.196 . . . . 75.44 113.043 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.72 49.84 4.3 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 123.147 0.403 . . . . 73.54 113.494 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.85 112.44 55.91 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.984 0.914 . . . . 73.43 109.735 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 14.2 Cg_exo -69.61 122.54 9.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.643 2.229 . . . . 64.32 111.825 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -72.09 119.27 16.04 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.373 0.669 . . . . 72.35 110.87 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.95 -15.66 33.64 Favored Glycine 0 N--CA 1.479 1.507 0 CA-C-N 116.253 -0.431 . . . . 53.33 113.083 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 44' ' ' PRO . 54.4 m -73.37 -49.74 25.66 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.839 0.856 . . . . 63.2 112.238 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 67.75 130.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.071 1.348 . . . . 54.2 111.865 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt -109.56 132.11 54.44 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.271 0.629 . . . . 74.11 111.457 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.6 p -83.06 176.36 9.3 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 123.023 0.529 . . . . 62.31 109.707 166.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.13 -34.38 71.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 117.966 0.348 . . . . 74.34 111.56 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' B' ' 29' ' ' MET . 16.4 t -70.46 -46.16 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.869 0.468 . . . . 73.44 111.157 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 42.1 mm-40 -61.3 -38.48 86.96 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.295 0.638 . . . . 73.33 111.808 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.75 -47.73 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.204 0.602 . . . . 63.14 110.783 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -49.52 -46.22 48.24 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.169 0.588 . . . . 74.23 111.511 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -67.83 -40.21 83.8 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.135 -0.939 . . . . 72.14 112.196 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 13.0 mmp_? -67.36 -32.77 73.93 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 122.985 0.514 . . . . 73.13 111.929 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 36' ' ' LEU . 91.5 t -69.18 -41.32 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 123.261 0.624 . . . . 71.54 110.715 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 95.6 mt -57.75 -50.67 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 122.583 0.353 . . . . 74.43 110.543 173.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -54.38 -46.1 72.97 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.628 0.771 . . . . 71.15 111.908 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.45 -48.41 79.25 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.416 1.086 . . . . 73.54 112.167 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' B' ' 39' ' ' LEU . 64.5 mt -67.94 -30.41 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 122.792 0.437 . . . . 75.21 110.705 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 96.9 mt -65.87 -33.11 75.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.649 0.379 . . . . 72.11 111.494 173.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.3 -34.64 77.8 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.105 0.562 . . . . 72.22 111.902 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.62 -33.4 72.59 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.258 0.623 . . . . 71.34 111.472 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.515 HE22 HD21 ' B' ' 39' ' ' LEU . 42.1 mt-30 -89.44 152.35 21.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.846 0.858 . . . . 73.42 111.349 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.39 176.68 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.45 0.7 . . . . 63.12 110.712 172.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.569 1.68 0 C-N-CA 122.895 0.478 . . . . 75.41 112.048 176.515 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 111.759 0.281 . . . . 73.23 111.759 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.2 79.2 0.53 Allowed Glycine 0 N--CA 1.48 1.578 0 N-CA-C 113.856 0.302 . . . . 62.31 113.856 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -135.59 -55.87 0.79 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.987 0.915 . . . . 75.1 110.806 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -69.6 120.58 15.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.604 0.761 . . . . 75.13 112.175 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -169.12 135.65 1.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.421 1.089 . . . . 73.15 109.171 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -91.48 59.86 3.94 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 121.326 0.584 . . . . 72.34 111.477 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.454 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 16.7 p-80 -81.14 82.21 7.13 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.896 0.855 . . . . 60.12 110.378 173.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -82.33 70.04 9.2 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.061 0.944 . . . . 75.12 109.875 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t 64.58 1.56 1.38 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.663 1.185 . . . . 71.14 114.141 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 65.89 -71.0 0.09 Allowed 'General case' 0 CA--C 1.567 1.596 0 C-N-CA 125.484 1.514 . . . . 72.42 111.157 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -106.77 -61.08 1.58 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.71 0.804 . . . . 73.44 111.179 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.65 -157.75 31.59 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 112.028 -0.429 . . . . 74.34 112.028 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.36 -3.84 59.93 Favored Glycine 0 N--CA 1.48 1.567 0 N-CA-C 114.205 0.442 . . . . 62.04 114.205 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.18 42.72 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 116.919 0.359 . . . . 73.35 113.727 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -136.0 145.84 46.54 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.272 1.029 . . . . 74.05 110.981 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.25 150.98 7.99 Favored Glycine 0 CA--C 1.546 2.028 0 CA-C-O 119.34 -0.7 . . . . 70.2 112.883 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.51 145.82 65.86 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.079 2.519 . . . . 73.34 112.6 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.613 ' HB1' ' HG3' ' A' ' 15' ' ' LYS . . . -144.5 -170.6 3.42 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.242 0.617 . . . . 71.13 112.033 -175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.7 -171.59 2.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.107 0.963 . . . . 75.11 110.208 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.18 115.89 15.31 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 122.455 0.302 . . . . 74.52 111.192 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.29 146.11 47.13 Favored Pre-proline 0 CA--C 1.567 1.598 0 C-N-CA 123.983 0.913 . . . . 74.12 110.706 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.19 157.35 58.0 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.794 2.33 . . . . 75.2 111.497 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -64.37 94.74 0.12 Allowed 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 121.702 0.763 . . . . 74.2 110.49 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -174.25 -160.53 0.1 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.522 1.529 . . . . 70.32 109.027 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.12 151.37 43.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.989 0.515 . . . . 71.14 112.136 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tt -72.48 -77.79 0.09 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.079 -0.711 . . . . 72.05 109.079 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.624 ' HA ' ' HA ' ' A' ' 18' ' ' ALA . 40.9 m-20 53.03 115.0 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.356 1.862 . . . . 74.34 114.48 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.89 -34.38 28.07 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 124.038 0.935 . . . . 65.42 110.91 169.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.2 mtp -64.56 -45.71 85.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.967 0.907 . . . . 72.22 111.58 175.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.5 -42.78 99.73 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.393 1.077 . . . . 72.23 112.254 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -64.24 -36.09 82.96 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.861 0.464 . . . . 73.43 111.831 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.53 -39.82 80.99 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 122.868 0.467 . . . . 75.32 111.624 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . 0.453 ' HD1' HG21 ' B' ' 54' ' ' ILE . 14.8 m-85 -66.38 -34.42 77.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.805 0.842 . . . . 62.21 112.072 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -57.95 -51.89 67.76 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.304 0.642 . . . . 71.42 110.318 173.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 2.3 mmp_? -61.66 -41.1 97.07 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.008 -0.996 . . . . 74.01 112.517 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 40' ' ' VAL . 85.5 mt -56.67 -51.3 69.27 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 117.988 0.358 . . . . 73.12 110.731 174.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -55.5 -31.2 61.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.634 0.773 . . . . 74.24 112.398 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.02 -31.79 34.45 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.917 0.487 . . . . 74.51 111.542 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.515 HD21 HE22 ' A' ' 66' ' ' GLN . 95.8 mt -83.61 -15.81 47.64 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.834 0.854 . . . . 75.43 111.986 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.3 t -86.11 108.33 16.8 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 109.613 -0.514 . . . . 73.51 109.613 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.5 16.1 2.04 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 123.027 2.485 . . . . 71.45 113.787 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.97 36.0 2.61 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 113.72 0.248 . . . . 72.42 113.72 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.92 115.68 65.71 Favored Pre-proline 0 CA--C 1.561 1.401 0 C-N-CA 123.136 0.575 . . . . 64.54 110.69 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.03 140.95 51.43 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.679 2.253 . . . . 74.3 112.378 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 106.7 2.47 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.218 0.607 . . . . 72.21 110.429 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.59 -22.07 6.6 Favored Glycine 0 N--CA 1.477 1.41 0 CA-C-N 116.076 -0.511 . . . . 73.14 112.714 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -74.76 100.7 4.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.604 0.762 . . . . 72.01 110.813 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.3 101.17 3.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.416 0.686 . . . . 71.25 110.732 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.92 108.3 6.66 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.061 0.544 . . . . 75.43 110.993 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.24 163.21 13.2 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.207 0.603 . . . . 73.02 110.731 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.89 -47.21 52.13 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.07 0.948 . . . . 74.41 113.058 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.635 HG22 ' HG2' ' A' ' 29' ' ' MET . 9.1 t -72.58 -41.88 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.796 -0.638 . . . . 72.12 111.142 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -59.85 -29.21 68.13 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.043 0.937 . . . . 74.22 113.243 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.453 HG21 ' HD1' ' B' ' 33' ' ' TYR . 95.7 mt -59.93 -52.6 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.191 0.596 . . . . 73.4 109.99 170.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -41.2 89.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.52 111.422 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' SG ' ' A' ' 32' ' ' CYS . 82.5 mm-40 -60.26 -41.87 94.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.947 0.899 . . . . 74.12 111.938 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -69.14 -32.72 72.27 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.996 0.518 . . . . 73.51 111.837 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -73.12 -48.09 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 122.745 0.418 . . . . 73.02 111.696 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -58.55 -50.12 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 123.096 0.558 . . . . 73.53 110.424 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.79 -36.37 78.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.345 1.058 . . . . 64.22 112.181 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.42 -51.02 71.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.114 0.966 . . . . 74.12 111.597 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.36 -35.75 68.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 123.111 0.564 . . . . 70.42 111.285 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.63 ' HB3' HG21 ' B' ' 68' ' ' VAL . 86.6 mt -67.85 -29.78 69.01 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.687 0.795 . . . . 73.51 112.045 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.37 -36.02 78.58 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.082 0.553 . . . . 71.11 110.911 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.92 -48.68 43.74 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.529 0.68 . . . . 74.45 110.757 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.43 -160.83 0.68 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.385 1.074 . . . . 72.41 110.445 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 m -94.78 138.95 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 O-C-N 121.894 -0.504 . . . . 72.23 110.771 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' B' ' 63' ' ' LEU . 49.1 t . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.051 0.54 . . . . 75.22 110.298 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.638 0.256 . . . . 64.42 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.17 -132.83 1.98 Allowed Glycine 0 CA--C 1.535 1.306 0 CA-C-N 116.187 -0.46 . . . . 62.0 113.677 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -143.66 -164.29 1.84 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.735 0.814 . . . . 71.22 108.972 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -81.99 23.81 0.68 Allowed 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.038 0.935 . . . . 73.24 112.845 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -79.5 76.96 6.1 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.091 0.948 . . . . 63.22 111.267 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -105.31 134.53 48.27 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.714 -0.675 . . . . 74.14 110.892 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -81.64 176.75 9.38 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.84 0.456 . . . . 73.04 110.346 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -146.02 140.98 27.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 120.836 0.351 . . . . 71.52 111.056 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.0 t -157.21 171.75 19.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.358 1.063 . . . . 73.21 110.026 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -154.22 85.33 1.14 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.319 1.048 . . . . 73.51 109.068 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ttt -146.16 137.36 24.57 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.295 1.038 . . . . 54.12 110.102 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.45 95.46 0.15 Allowed Glycine 0 C--N 1.347 1.146 0 N-CA-C 112.342 -0.303 . . . . 71.31 112.342 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.81 -74.91 1.23 Allowed Glycine 0 CA--C 1.533 1.193 0 N-CA-C 111.017 -0.833 . . . . 63.13 111.017 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.81 82.56 0.04 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 116.078 1.191 . . . . 64.24 116.078 168.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -154.38 102.74 2.45 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.086 0.47 . . . . 75.41 110.924 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 63.39 0.01 OUTLIER Glycine 0 CA--C 1.546 2.009 0 CA-C-N 115.732 -0.667 . . . . 75.21 112.521 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -80.89 75.8 4.85 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 123.427 2.751 . . . . 75.44 112.115 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.68 3.42 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.502 1.121 . . . . 72.01 111.28 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.79 107.14 5.06 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.71 0.804 . . . . 75.14 111.542 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -121.96 107.6 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.746 0.818 . . . . 71.14 109.902 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.92 138.97 39.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 122.605 0.362 . . . . 74.33 110.549 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.15 127.08 12.37 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.392 2.061 . . . . 75.34 112.229 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 135.95 55.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.852 0.461 . . . . 75.22 111.223 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.6 t -128.33 166.75 18.04 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.503 0.721 . . . . 71.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp 65.4 -78.78 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 125.31 1.444 . . . . 73.25 112.423 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 tt -157.94 169.75 23.89 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.808 0.843 . . . . 72.4 109.692 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.21 36.96 0.1 Allowed 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 124.435 1.094 . . . . 74.03 113.0 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -55.67 -42.6 75.34 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.835 0.854 . . . . 74.3 112.225 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ttm -60.55 -49.16 78.67 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.76 0.824 . . . . 71.43 111.689 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -66.97 -31.75 72.54 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.478 0.711 . . . . 73.54 111.754 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -65.9 -51.07 61.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.43 1.092 . . . . 73.13 109.88 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.36 -42.92 92.68 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.493 -1.23 . . . . 75.11 111.672 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.02 -39.06 93.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.76 0.824 . . . . 74.32 113.079 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 m -60.07 -47.77 84.5 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.988 0.423 . . . . 74.23 110.491 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.81 -36.74 83.06 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.217 -0.901 . . . . 74.43 112.348 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 40' ' ' VAL . 62.7 mt -60.19 -52.47 65.18 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.838 0.455 . . . . 74.23 110.676 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 43' ' ' VAL . 44.3 ttt180 -55.22 -27.35 45.48 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.355 1.062 . . . . 73.23 112.618 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.91 -40.39 20.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.053 0.941 . . . . 73.25 111.417 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 ' HB3' HG23 ' B' ' 62' ' ' ILE . 96.3 mt -79.22 -7.95 58.64 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.563 0.745 . . . . 65.34 112.303 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG13 ' HB2' ' A' ' 61' ' ' TYR . 58.2 t -104.31 98.99 15.53 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.645 0.778 . . . . 73.43 111.058 175.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.22 142.66 50.95 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.403 2.069 . . . . 75.02 110.851 167.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.01 -21.4 15.78 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-N 116.454 -0.339 . . . . 73.04 112.428 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 37' ' ' ARG . 87.6 t -67.12 121.42 78.24 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.639 0.376 . . . . 71.33 110.139 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 112.98 3.47 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.529 2.153 . . . . 65.32 112.227 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -69.18 91.72 0.53 Allowed 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 109.269 -0.641 . . . . 74.25 109.269 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 149.25 -35.08 1.07 Allowed Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.216 -0.902 . . . . 72.04 111.206 -170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -81.46 130.72 35.15 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.402 0.681 . . . . 72.14 109.941 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -67.6 -44.56 77.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.844 0.683 . . . . 74.42 112.844 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt 62.15 -167.03 0.21 Allowed 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 124.099 0.96 . . . . 73.35 111.955 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.595 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 47.2 t -146.57 172.24 13.87 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.134 0.974 . . . . 70.54 109.782 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.814 0.846 . . . . 75.53 111.699 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.623 HG23 ' HG2' ' B' ' 29' ' ' MET . 3.4 t -72.24 -42.05 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 115.584 -0.734 . . . . 73.42 110.884 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' HB2' ' H ' ' A' ' 50' ' ' SER . 25.5 mm-40 -58.94 -35.32 72.92 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.649 0.78 . . . . 73.51 112.597 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 58' ' ' VAL . 79.5 mt -61.27 -49.59 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 110.029 -0.36 . . . . 75.35 110.029 173.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.37 -45.44 69.21 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.523 0.729 . . . . 73.42 111.848 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -60.09 -49.1 78.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.475 0.71 . . . . 70.35 110.868 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -61.18 -33.79 74.01 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.986 0.914 . . . . 74.44 112.177 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 54' ' ' ILE . 83.6 t -68.29 -42.98 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.17 0.588 . . . . 75.14 110.838 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.95 -47.69 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.739 0.416 . . . . 74.01 110.57 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.97 -42.98 77.11 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.68 0.792 . . . . 62.22 111.24 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' HB2' HG13 ' A' ' 40' ' ' VAL . 64.7 t80 -56.03 -50.04 72.03 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.239 1.016 . . . . 75.42 111.503 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 58' ' ' VAL . 67.8 mt -62.94 -38.42 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.293 0 C-N-CA 123.274 0.63 . . . . 74.53 111.06 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 -36.49 83.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.264 0.626 . . . . 73.21 112.031 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.04 -31.03 64.16 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.393 0.677 . . . . 75.42 111.962 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 78.6 mt -64.01 -36.25 83.38 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.316 0.579 . . . . 73.22 111.057 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.78 -56.89 4.31 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 115.215 -0.902 . . . . 72.02 111.132 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.32 125.15 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.664 0.785 . . . . 71.21 111.251 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 N--CA 1.489 1.505 0 C-N-CA 123.727 0.811 . . . . 72.53 109.508 169.151 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mmt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.47 0.176 . . . . 74.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.39 95.8 1.39 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 111.849 -0.5 . . . . 62.24 111.849 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -136.3 140.39 43.34 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.281 0.633 . . . . 73.54 111.842 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -152.86 156.99 40.04 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.38 1.072 . . . . 74.12 110.321 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -155.22 124.71 6.39 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.185 0.594 . . . . 73.23 110.544 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -170.14 159.55 7.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.387 1.075 . . . . 74.31 110.426 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -160.66 -74.72 0.06 Allowed 'General case' 0 CA--C 1.564 1.486 0 C-N-CA 123.269 0.628 . . . . 62.12 111.849 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 38.8 m80 59.98 149.0 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.231 1.412 . . . . 73.14 113.926 -169.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t -127.25 131.92 50.47 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.133 0.973 . . . . 74.52 110.876 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -136.09 112.89 10.21 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.808 0.843 . . . . 75.2 109.557 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 63.3 mtt -116.79 178.09 4.47 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.058 0.543 . . . . 74.15 111.144 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.37 -59.03 3.18 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.648 -0.251 . . . . 64.11 113.468 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.42 50.94 2.84 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 113.885 0.314 . . . . 73.45 113.885 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.61 68.48 3.35 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 112.069 -0.412 . . . . 71.31 112.069 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -162.96 150.64 13.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.97 0.908 . . . . 74.11 110.85 -172.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.18 90.64 0.12 Allowed Glycine 0 CA--C 1.539 1.544 0 CA-C-O 119.901 -0.388 . . . . 71.21 112.998 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -89.75 -172.56 0.62 Allowed 'Trans proline' 0 CA--C 1.56 1.813 0 C-N-CA 123.226 2.617 . . . . 74.14 112.764 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.02 171.77 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 125.184 1.393 . . . . 74.11 112.876 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.57 -32.95 21.85 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.217 0.607 . . . . 71.21 110.689 172.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.85 168.41 27.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.365 1.066 . . . . 75.23 110.029 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -134.87 160.54 68.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.457 0.703 . . . . 75.01 111.212 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -80.69 11.41 2.95 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 123.123 2.549 . . . . 74.53 113.943 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt 60.24 28.78 18.4 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.056 1.342 . . . . 74.1 113.27 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -63.8 -88.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.237 0.615 . . . . 73.35 111.074 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.02 -66.89 0.61 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.976 -1.12 . . . . 72.1 107.976 169.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -147.65 -67.33 0.25 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 105.754 -1.943 . . . . 71.24 105.754 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 56.64 79.46 0.18 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 124.974 1.421 . . . . 65.25 111.94 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -51.61 -33.45 33.13 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.279 0.632 . . . . 63.31 111.369 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.623 ' HG2' HG23 ' A' ' 52' ' ' VAL . 25.0 mtp -58.53 -49.87 75.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 114.884 -1.053 . . . . 75.3 110.957 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -62.92 -38.04 89.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.973 0.909 . . . . 74.31 111.764 -176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -67.63 -34.35 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.91 0.484 . . . . 63.53 111.491 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.74 -38.63 87.04 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.319 -0.4 . . . . 70.13 111.085 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -67.75 -29.78 69.08 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.173 0.989 . . . . 73.02 112.01 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 55.8 m -61.41 -46.47 90.0 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.281 0.632 . . . . 64.4 109.998 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.3 -43.19 95.49 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.363 0.665 . . . . 75.33 112.463 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.15 -17.86 64.99 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.001 0.52 . . . . 71.32 112.131 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -86.24 -39.16 16.85 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.229 0.612 . . . . 74.24 111.549 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 34' ' ' SER . 63.2 mm-40 -86.67 -39.4 16.1 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 112.896 0.702 . . . . 74.55 112.896 -170.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -76.11 -19.9 58.12 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.635 0.774 . . . . 60.02 111.596 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -93.32 109.76 42.3 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 123.252 0.621 . . . . 74.21 109.424 174.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.79 14.0 1.98 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.44 114.389 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.52 1.17 61.84 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-O 119.675 -0.514 . . . . 70.1 114.09 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -81.43 124.92 79.92 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-N 117.206 0.503 . . . . 75.04 112.159 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.33 143.73 48.96 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.862 2.375 . . . . 74.23 112.433 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -69.23 96.09 0.81 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.437 0.695 . . . . 73.35 109.456 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.87 102.91 1.0 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 110.927 -0.869 . . . . 71.31 110.927 -169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -153.6 174.92 13.83 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.613 0.765 . . . . 73.34 111.84 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -102.54 28.53 5.94 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.013 0.925 . . . . 70.12 112.442 -171.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.9 115.59 14.67 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.758 0.651 . . . . 74.03 112.758 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' B' ' 53' ' ' GLU . 54.7 p -84.8 175.88 8.87 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.458 -0.571 . . . . 63.51 109.458 166.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.0 -35.75 75.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.11 0.564 . . . . 74.34 111.832 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.22 -46.43 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 122.742 0.417 . . . . 73.11 110.563 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 15.2 mm-40 -58.75 -38.19 77.89 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.584 0.754 . . . . 73.31 111.953 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.492 HG12 HH21 ' B' ' 57' ' ' ARG . 84.9 mt -59.62 -48.04 88.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.608 0.763 . . . . 71.34 111.34 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.5 -43.6 71.95 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.567 0.747 . . . . 75.42 112.233 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -60.02 -48.87 79.91 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.321 -0.854 . . . . 61.54 111.025 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.492 HH21 HG12 ' B' ' 54' ' ' ILE . 37.3 mtm105 -60.25 -38.39 83.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.633 0.773 . . . . 62.53 112.476 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.415 HG11 HG12 ' A' ' 58' ' ' VAL . 95.3 t -64.67 -39.73 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.166 0.586 . . . . 74.34 110.855 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.02 -50.04 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 122.779 0.432 . . . . 61.24 110.504 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.55 -34.49 74.23 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.379 0.672 . . . . 72.03 112.132 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.25 -49.27 70.29 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.804 0.842 . . . . 74.14 110.875 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.48 HG23 ' HB3' ' A' ' 39' ' ' LEU . 84.3 mt -62.35 -54.9 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 123.434 0.693 . . . . 74.32 110.687 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.12 -29.69 68.78 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.938 0.895 . . . . 70.41 112.68 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.76 -45.67 91.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.521 0.728 . . . . 74.13 111.288 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.72 -39.53 91.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.204 0.602 . . . . 72.41 111.352 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 14.9 mm100 -61.98 -58.07 9.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.027 0.931 . . . . 70.4 112.386 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.77 160.52 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.447 0.699 . . . . 73.55 112.244 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.857 0.863 . . . . 74.21 110.429 177.744 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 110.308 -0.256 . . . . 64.02 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.75 28.35 70.95 Favored Glycine 0 CA--C 1.54 1.642 0 CA-C-N 116.575 -0.284 . . . . 74.25 113.249 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -111.34 116.83 31.64 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.277 1.031 . . . . 74.4 110.383 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -102.15 103.85 14.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.485 0.714 . . . . 75.35 110.505 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -71.41 97.96 1.72 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.504 0.722 . . . . 72.11 111.322 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -163.23 -35.62 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.879 1.272 . . . . 62.05 110.065 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -65.35 107.12 1.54 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.135 0.974 . . . . 73.53 111.826 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -79.07 119.62 22.46 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.79 0.836 . . . . 75.04 110.339 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -87.23 89.49 8.02 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.271 0.629 . . . . 71.04 111.034 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.17 103.22 15.13 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.649 0.78 . . . . 72.43 110.566 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.6 mtm -127.25 134.65 50.04 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.856 0.862 . . . . 74.21 110.432 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.72 35.89 2.15 Favored Glycine 0 N--CA 1.479 1.55 0 CA-C-N 116.676 -0.238 . . . . 53.15 112.724 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.62 -167.66 53.97 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.689 -0.255 . . . . 71.5 113.645 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.67 165.68 36.58 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.364 0.425 . . . . 64.32 113.288 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 157.87 31.19 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.67 1.188 . . . . 75.24 109.078 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.2 92.68 0.08 OUTLIER Glycine 0 C--N 1.344 1.013 0 CA-C-O 119.051 -0.861 . . . . 71.33 112.794 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.22 88.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.913 2.409 . . . . 71.12 112.23 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.15 93.51 1.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.208 1.003 . . . . 70.31 109.633 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' HB1' ' HE2' ' B' ' 15' ' ' LYS . . . -150.07 117.85 6.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 71.21 110.33 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.17 117.61 34.16 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.512 0.725 . . . . 70.45 109.552 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -75.0 136.07 73.43 Favored Pre-proline 0 CA--C 1.563 1.464 0 C-N-CA 122.54 0.336 . . . . 71.32 110.758 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -83.0 -173.76 1.8 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.821 2.348 . . . . 73.24 113.518 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.4 mt -90.26 178.75 6.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.408 0.683 . . . . 74.53 112.028 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -84.3 73.25 10.48 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.73 0.776 . . . . 73.42 110.51 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.22 178.44 4.31 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.625 0.77 . . . . 73.23 110.724 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -78.78 -52.9 7.71 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 108.938 -0.764 . . . . 74.34 108.938 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 62.42 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.591 1.557 . . . . 74.0 111.977 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.54 -38.39 77.71 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.737 0.815 . . . . 74.45 110.794 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.648 ' HB3' HG21 ' B' ' 52' ' ' VAL . 9.2 ptm -67.46 -35.33 78.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.029 -0.987 . . . . 72.44 112.132 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.96 -38.17 79.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.748 0.819 . . . . 74.03 110.588 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.38 -41.64 98.79 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.824 -0.626 . . . . 72.11 110.75 171.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -62.53 -39.02 92.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.348 0.659 . . . . 72.14 111.347 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.579 ' HH ' HD23 ' A' ' 55' ' ' LEU . 17.6 m-85 -65.24 -35.3 80.63 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.938 0.895 . . . . 75.24 112.65 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -61.74 -43.84 98.08 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.927 -0.579 . . . . 74.53 110.405 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -31.56 60.73 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.38 0.672 . . . . 73.34 112.214 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.1 mt -62.07 -45.12 94.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.032 0.378 . . . . 70.41 110.225 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -60.45 -19.45 56.45 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.339 0.866 . . . . 74.23 113.339 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.21 -39.41 15.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.167 0.587 . . . . 65.1 110.392 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' HB3' HG23 ' B' ' 62' ' ' ILE . 95.9 mt -72.66 -25.74 61.39 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.755 0.822 . . . . 75.42 111.936 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.2 t -94.5 108.66 38.23 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.711 0.804 . . . . 75.12 110.494 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.79 -9.26 17.0 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.514 2.143 . . . . 63.51 113.036 176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.03 9.08 58.43 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.501 0.56 . . . . 74.3 114.501 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.68 120.77 81.0 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 117.556 0.678 . . . . 74.23 110.847 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.23 144.42 80.95 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.669 2.246 . . . . 73.03 112.609 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -68.75 130.18 42.06 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.399 0.68 . . . . 73.12 111.574 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 40.47 94.57 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.461 0.476 . . . . 63.03 113.424 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 m -128.89 112.0 13.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.456 0.702 . . . . 74.34 110.643 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.17 95.57 4.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.237 0.615 . . . . 71.44 109.868 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.8 mt -77.11 113.62 15.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.952 -0.567 . . . . 74.33 110.163 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.44 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 42.0 t -60.93 158.31 13.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.772 0.429 . . . . 65.3 110.558 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.19 -34.93 33.84 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.187 0.81 . . . . 73.24 113.187 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' B' ' 29' ' ' MET . 5.9 t -72.15 -42.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.5 0.72 . . . . 75.23 111.027 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG2' ' HB3' ' A' ' 50' ' ' SER . 6.6 mm-40 -70.26 -27.29 64.32 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.846 0.858 . . . . 73.2 111.512 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.9 mt -64.04 -48.17 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.85 0.86 . . . . 73.23 110.056 172.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD23 ' HH ' ' A' ' 33' ' ' TYR . 95.1 mt -52.81 -48.11 67.16 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.401 0.68 . . . . 74.34 111.793 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.18 -43.91 97.77 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.951 -1.022 . . . . 71.21 111.408 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -33.81 76.66 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.512 0.725 . . . . 74.44 111.44 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' ILE . 93.1 t -68.11 -36.92 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 123.391 0.676 . . . . 71.32 110.785 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.39 -46.38 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 122.848 0.459 . . . . 73.51 110.422 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.88 -50.12 71.51 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 122.973 0.509 . . . . 72.51 111.303 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.78 -49.47 70.84 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.236 1.014 . . . . 75.24 112.26 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' B' ' 39' ' ' LEU . 63.7 mt -69.54 -37.06 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.005 0.522 . . . . 73.44 111.233 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.83 -30.77 71.06 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 112.534 0.568 . . . . 75.22 112.534 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.4 -31.04 63.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.094 0.558 . . . . 63.23 111.815 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.96 -29.89 50.08 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.33 0.586 . . . . 75.4 111.637 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -103.68 -166.59 1.27 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.541 1.137 . . . . 74.1 110.129 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.49 -167.07 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.563 0.745 . . . . 74.32 110.865 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 123.363 0.665 . . . . 72.32 110.924 175.525 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.494 0.187 . . . . 70.43 110.724 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.8 45.16 0.08 OUTLIER Glycine 0 N--CA 1.473 1.135 0 N-CA-C 111.635 -0.586 . . . . 64.53 111.635 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -67.65 102.2 1.15 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.176 0.99 . . . . 75.51 111.978 -173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -77.28 140.93 40.16 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.271 0.628 . . . . 71.3 110.631 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -155.2 -10.89 0.12 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.251 0.463 . . . . 72.31 112.251 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -71.31 138.51 49.36 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.25 0.548 . . . . 75.32 111.361 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -83.42 -62.7 1.52 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.664 0.786 . . . . 74.53 112.75 -168.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -104.5 116.73 32.61 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.796 0.665 . . . . 71.23 112.796 -170.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -146.13 106.16 4.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.558 1.143 . . . . 72.42 108.62 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -126.18 91.35 3.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.981 0.913 . . . . 74.51 109.95 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.1 ptp -92.71 147.32 22.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.095 0.558 . . . . 70.15 111.342 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.9 114.37 4.33 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.906 -0.386 . . . . 73.03 112.153 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.87 69.06 2.47 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.865 0.332 . . . . 64.2 113.798 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.1 116.11 5.49 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.007 0.337 . . . . 24.45 112.589 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.487 ' HE2' ' HB1' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -119.7 171.8 8.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.597 0.759 . . . . 74.02 110.018 177.351 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.36 98.0 1.9 Allowed Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.025 -1.63 . . . . 43.33 109.025 161.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.62 144.15 76.25 Favored 'Trans proline' 0 C--N 1.388 2.614 0 C-N-CA 123.165 2.576 . . . . 73.35 113.763 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' B' ' 28' ' ' ASP . . . -72.35 178.53 3.9 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.822 0.849 . . . . 74.4 112.59 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 26.31 0.33 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.595 0.961 . . . . 62.41 113.595 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -110.4 171.2 7.6 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.521 0.728 . . . . 71.53 112.042 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.11 154.52 79.98 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.026 -0.988 . . . . 64.4 111.366 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 100.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.87 2.38 . . . . 74.51 113.145 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -116.15 167.36 11.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.015 0.926 . . . . 74.51 110.577 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 77.5 p -49.51 -40.78 38.9 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 124.486 1.114 . . . . 73.35 113.077 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -139.04 108.02 6.0 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.747 -0.835 . . . . 74.12 108.747 176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.61 128.48 42.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.775 -0.824 . . . . 74.04 108.775 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -90.9 56.55 3.25 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.881 0.873 . . . . 72.1 111.574 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . 0.571 ' HA ' ' HB3' ' B' ' 18' ' ' ALA . 10.4 m-20 -51.78 -39.5 58.74 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.734 1.213 . . . . 72.3 112.728 -175.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.638 ' HG2' HG23 ' A' ' 52' ' ' VAL . 38.7 mtp -71.54 -40.7 69.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.01 -0.995 . . . . 73.23 112.169 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -64.3 -36.07 82.91 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.924 0.889 . . . . 75.5 111.915 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.4 -42.34 77.8 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.366 0.667 . . . . 74.5 111.191 173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.0 m -72.39 -39.9 67.62 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.421 0.689 . . . . 73.13 111.502 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.58 -36.21 73.61 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.83 0.852 . . . . 71.5 112.285 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 52.3 m -56.52 -49.29 75.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.516 0.726 . . . . 73.42 111.737 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -74.28 -26.33 60.13 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.36 0.504 . . . . 72.24 112.36 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.49 HD11 HD22 ' A' ' 55' ' ' LEU . 89.5 mt -58.84 -49.73 76.65 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.839 -0.43 . . . . 73.14 109.839 169.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -58.11 -28.62 64.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.848 0.684 . . . . 75.24 112.848 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.9 mm-40 -81.96 -43.33 18.2 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.313 0.645 . . . . 74.11 110.353 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' A' ' 62' ' ' ILE . 88.2 mt -78.25 -16.11 58.13 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.095 -0.957 . . . . 71.43 112.056 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 36' ' ' LEU . 41.4 t -103.66 96.64 9.23 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.701 0.8 . . . . 75.53 110.542 174.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.41 -3.26 13.6 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.552 2.168 . . . . 73.32 112.583 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.71 -4.93 77.55 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.903 -0.387 . . . . 63.35 113.82 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.674 HG22 ' HG2' ' B' ' 57' ' ' ARG . 26.9 t -79.21 122.32 84.1 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 117.187 0.493 . . . . 74.21 110.045 171.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.522 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 20.3 Cg_endo -71.73 110.56 2.92 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 121.484 1.456 . . . . 71.22 110.394 169.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.42 91.14 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.641 0.776 . . . . 73.0 110.937 -170.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.32 20.95 1.71 Allowed Glycine 0 N--CA 1.48 1.633 0 CA-C-N 115.713 -0.676 . . . . 53.33 113.21 -175.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.522 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 9.7 t -87.57 -17.32 32.25 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.708 0.803 . . . . 75.33 112.513 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 61.94 78.76 0.28 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.423 1.089 . . . . 74.14 112.069 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.506 ' HG ' HG22 ' B' ' 47' ' ' THR . 76.2 mt -101.79 142.73 32.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.499 0.72 . . . . 63.23 110.922 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 t -85.18 175.6 8.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.845 0.458 . . . . 72.4 110.147 168.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -48.83 -37.85 20.56 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.666 1.186 . . . . 75.15 113.02 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 29' ' ' MET . 24.4 t -72.04 -47.4 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 123.426 0.69 . . . . 71.22 111.797 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.426 ' HB3' HD22 ' B' ' 49' ' ' LEU . 1.7 mp0 -67.28 -26.2 66.43 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.187 0.595 . . . . 74.43 112.187 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.87 -51.73 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.772 -0.455 . . . . 75.03 109.772 168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.52 -42.66 96.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.716 0.807 . . . . 75.23 111.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.51 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -59.84 -45.49 92.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.473 0.709 . . . . 74.44 110.874 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.674 ' HG2' HG22 ' B' ' 43' ' ' VAL . 0.3 OUTLIER -66.6 -34.49 78.01 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.552 0.741 . . . . 75.04 111.486 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.4 HG13 HG12 ' A' ' 58' ' ' VAL . 72.9 t -65.14 -41.85 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.387 0.675 . . . . 72.31 110.665 173.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.54 -48.06 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 122.71 0.404 . . . . 62.44 110.431 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -57.44 -41.86 81.33 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.546 0.738 . . . . 64.52 111.774 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.49 -51.1 70.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.572 1.149 . . . . 75.2 111.69 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.57 HG23 ' HB3' ' A' ' 39' ' ' LEU . 87.9 mt -61.72 -47.42 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.363 0.665 . . . . 73.12 110.474 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -32.92 73.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.77 0.828 . . . . 75.33 112.441 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.38 -39.45 87.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.799 0.84 . . . . 72.53 110.799 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.12 -36.2 27.74 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.66 0.784 . . . . 73.12 111.81 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.59 -37.88 73.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.14 0.976 . . . . 74.25 112.084 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t 57.39 87.41 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.498 0 C-N-CA 124.421 1.089 . . . . 74.4 111.26 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 123.645 0.778 . . . . 75.04 111.113 -173.127 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 110.172 -0.307 . . . . 64.32 110.172 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.61 142.75 17.14 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 123.224 0.44 . . . . 75.25 112.791 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -102.36 109.91 21.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.437 0.695 . . . . 75.41 109.828 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -159.48 151.97 21.31 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.192 0.597 . . . . 72.42 111.062 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -147.38 132.72 18.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.564 0.746 . . . . 74.25 109.583 172.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -74.03 122.7 23.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.477 0.711 . . . . 64.05 110.405 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.28 90.82 0.7 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.161 0.584 . . . . 75.15 110.374 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -78.07 81.36 4.46 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.435 0.694 . . . . 73.03 110.652 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 p -83.92 101.33 11.61 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.39 0.676 . . . . 64.4 111.405 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.41 102.26 8.34 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.133 0.973 . . . . 75.43 110.115 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -87.85 128.82 35.34 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.328 0.651 . . . . 75.23 110.959 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.39 -141.5 7.69 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 112.211 -0.355 . . . . 71.22 112.211 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.1 -74.38 2.03 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-N 117.201 0.5 . . . . 64.43 113.47 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.11 57.33 4.83 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 122.763 0.221 . . . . 74.3 113.461 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.8 164.28 16.47 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.871 0.868 . . . . 74.43 111.289 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.34 78.55 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 CA-C-O 119.674 -0.515 . . . . 65.3 113.47 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.67 45.49 1.96 Allowed 'Trans proline' 0 CA--C 1.564 2.015 0 C-N-CA 122.794 2.329 . . . . 73.24 114.014 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 117.17 6.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.75 0.82 . . . . 74.31 110.392 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.82 -175.95 4.13 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.828 0.851 . . . . 73.32 110.4 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HB3' HG21 ' A' ' 52' ' ' VAL . 17.8 pt-20 -93.9 171.06 9.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.743 0.817 . . . . 71.53 112.5 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -141.93 160.81 54.3 Favored Pre-proline 0 CA--C 1.564 1.511 0 C-N-CA 123.528 0.731 . . . . 74.31 111.777 -174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -62.26 150.68 86.08 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 123.232 2.622 . . . . 71.21 114.425 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -94.5 146.38 24.14 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.001 0.92 . . . . 72.13 109.926 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.5 p -132.37 178.14 7.05 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 122.997 0.519 . . . . 54.21 112.311 -170.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt 49.77 -81.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.68 1.592 . . . . 73.43 114.491 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.85 -58.22 0.15 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.657 -1.238 . . . . 73.3 107.657 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 60.42 107.29 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.551 1.54 . . . . 75.25 112.628 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.09 -31.55 70.13 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.47 0.708 . . . . 73.04 111.151 174.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.615 ' HG2' HG22 ' B' ' 52' ' ' VAL . 34.4 mtp -66.5 -46.31 76.67 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.118 -0.946 . . . . 73.34 110.74 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -63.62 -32.28 73.7 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.709 0.803 . . . . 74.04 111.779 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -62.41 -42.81 99.72 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 122.967 0.507 . . . . 75.22 110.265 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.86 -34.2 71.41 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.147 0.579 . . . . 63.21 111.656 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.58 -29.94 70.96 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.239 1.016 . . . . 73.43 111.501 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 42.4 t -58.15 -54.6 45.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.258 0.623 . . . . 74.24 110.656 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -62.01 -38.51 88.92 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.597 0.759 . . . . 75.41 112.759 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.508 HD13 HD21 ' B' ' 55' ' ' LEU . 84.2 mt -56.21 -55.72 29.69 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.515 -0.55 . . . . 74.12 109.515 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HG3' HG13 ' A' ' 43' ' ' VAL . 27.1 ttp180 -53.7 -31.7 48.99 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.598 1.159 . . . . 72.21 112.674 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 34' ' ' SER . 25.9 mm-40 -75.56 -37.55 59.86 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.055 0.455 . . . . 72.3 110.949 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.79 -12.06 43.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.773 0.829 . . . . 72.12 112.03 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 36' ' ' LEU . 97.4 t -103.31 110.77 64.37 Favored Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 123.609 0.764 . . . . 73.44 112.101 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.84 -17.71 32.45 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 123.215 2.61 . . . . 60.44 113.303 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.35 -27.93 66.33 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 114.047 0.379 . . . . 64.44 114.047 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 37' ' ' ARG . 42.6 t -85.47 114.71 57.98 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 109.039 -0.726 . . . . 74.31 109.039 170.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.14 75.57 4.56 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.286 1.991 . . . . 71.31 113.16 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 59.5 -152.83 0.39 Allowed 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.136 0.975 . . . . 74.21 111.909 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.27 59.52 4.33 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 114.224 0.45 . . . . 75.23 114.224 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -76.22 -13.72 60.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.989 0.915 . . . . 74.44 110.589 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 69.8 87.31 0.12 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.204 1.402 . . . . 64.33 112.115 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.79 149.48 23.31 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.239 1.015 . . . . 74.32 109.163 172.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -72.44 -73.85 0.18 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 117.72 0.236 . . . . 61.13 111.448 -171.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.07 -54.23 0.07 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.514 0.561 . . . . 74.42 112.514 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.482 HG22 ' HE2' ' B' ' 29' ' ' MET . 14.3 t -72.75 -34.81 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.667 0.387 . . . . 72.51 111.08 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -53.43 -46.49 69.83 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.048 0.939 . . . . 72.41 111.802 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 58' ' ' VAL . 74.5 mt -58.26 -54.0 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 O-C-N 123.705 0.628 . . . . 71.14 110.25 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 96.4 mt -51.02 -47.89 61.56 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.156 0.983 . . . . 75.04 113.349 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.44 HE21 HG12 ' A' ' 52' ' ' VAL . 78.6 mt-30 -59.72 -42.52 93.29 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.575 0.75 . . . . 74.41 111.595 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -75.43 -23.58 56.98 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.578 0.751 . . . . 74.24 112.304 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 54' ' ' ILE . 88.0 t -68.1 -45.97 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 122.78 0.432 . . . . 74.22 109.857 172.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 32' ' ' CYS . 68.3 mt -55.49 -46.43 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.257 0.623 . . . . 72.23 110.061 172.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.2 -42.97 78.02 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.358 1.063 . . . . 72.31 112.067 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.81 -46.53 87.56 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.237 0.615 . . . . 74.12 111.682 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' B' ' 39' ' ' LEU . 63.1 mt -68.71 -37.03 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 C-N-CA 122.526 0.33 . . . . 74.43 111.21 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.14 -29.38 68.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.425 0.69 . . . . 75.44 111.5 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.21 77.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 122.934 0.494 . . . . 63.53 111.244 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.38 -37.48 25.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.744 0.818 . . . . 75.42 112.138 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.55 -51.94 5.87 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.649 0.78 . . . . 75.22 112.87 -171.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG11 HG21 ' A' ' 68' ' ' VAL . 27.1 t -79.67 127.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 122.941 0.497 . . . . 73.34 110.524 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.536 HG21 HG11 ' A' ' 67' ' ' VAL . 62.1 t . . . . . 0 CA--C 1.576 1.955 0 C-N-CA 124.886 1.274 . . . . 75.51 112.128 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 110.607 -0.146 . . . . 72.22 110.607 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.86 75.8 1.11 Allowed Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.661 -0.245 . . . . 44.02 112.881 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.59 161.79 17.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.749 0.82 . . . . 75.32 111.092 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -100.88 134.86 43.24 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.959 0.904 . . . . 75.13 110.677 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -80.17 117.31 20.85 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.059 0.457 . . . . 72.54 109.85 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -105.46 151.6 24.05 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.404 0.682 . . . . 70.43 111.958 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 69.27 125.59 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.227 1.411 . . . . 73.15 113.439 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -104.11 117.1 33.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.506 0.723 . . . . 74.22 109.601 168.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 113.61 7.96 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.039 0.535 . . . . 72.32 110.952 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -132.82 176.95 8.02 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.839 0.856 . . . . 73.25 110.699 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.12 112.58 5.15 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 122.882 0.473 . . . . 74.04 110.642 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.56 164.8 10.68 Favored Glycine 0 N--CA 1.475 1.288 0 C-N-CA 122.806 0.241 . . . . 43.45 113.482 177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.98 51.63 6.84 Favored Glycine 0 C--N 1.349 1.287 0 C-N-CA 122.733 0.206 . . . . 70.14 112.847 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.92 96.56 0.32 Allowed Glycine 0 C--N 1.347 1.168 0 C-N-CA 122.87 0.271 . . . . 73.24 112.892 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.61 -178.88 7.0 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.541 0.736 . . . . 74.52 111.23 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.35 64.94 0.43 Allowed Glycine 0 CA--C 1.541 1.694 0 CA-C-O 119.408 -0.662 . . . . 65.33 114.329 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -84.06 175.04 7.85 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.81 2.34 . . . . 73.4 111.996 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.89 84.36 1.71 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.418 0.627 . . . . 74.2 110.25 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' B' ' 21' ' ' GLU . . . -129.57 131.56 46.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.649 0.78 . . . . 73.42 111.023 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -111.71 41.76 1.85 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.013 0.925 . . . . 73.41 110.308 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.498 ' HG2' ' HB1' ' B' ' 19' ' ' ALA . 6.4 mm-40 -82.44 147.01 55.2 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 114.885 -1.052 . . . . 74.14 110.145 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.06 123.33 12.68 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.731 2.287 . . . . 72.05 112.477 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.36 80.94 2.44 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.687 0.756 . . . . 74.32 111.72 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 61.1 p -160.49 -65.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.486 -1.301 . . . . 71.32 107.486 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.09 120.11 29.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.428 1.091 . . . . 74.23 108.206 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.61 -44.17 14.85 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.82 -0.807 . . . . 75.32 108.82 177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.652 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 61.08 46.87 7.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.217 1.007 . . . . 73.14 112.694 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.09 -41.44 71.57 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.039 0.936 . . . . 71.3 111.564 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.482 ' HE2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -66.24 -41.39 90.09 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.666 1.186 . . . . 74.23 112.282 174.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.652 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 37.0 t-20 -70.78 -29.06 65.16 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.251 0.62 . . . . 61.21 111.257 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.615 0.721 . . . . 71.34 110.509 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.44 ' HA ' HD12 ' A' ' 59' ' ' ILE . 75.5 m -69.22 -46.23 67.9 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.867 -1.06 . . . . 64.02 111.735 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.59 -30.74 70.01 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.786 0.835 . . . . 73.22 112.365 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.49 ' HA ' ' HE ' ' B' ' 37' ' ' ARG . 23.2 t -62.65 -52.83 61.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.914 0.486 . . . . 74.05 110.572 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.35 -31.41 72.56 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.868 0.692 . . . . 73.11 112.868 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 40' ' ' VAL . 73.1 mt -58.38 -52.59 64.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 110.172 -0.307 . . . . 74.23 110.172 172.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.49 ' HE ' ' HA ' ' B' ' 34' ' ' SER . 75.8 mtm180 -59.28 -27.23 65.65 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.895 0.878 . . . . 74.22 112.837 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.33 -32.55 20.95 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.489 0.716 . . . . 71.34 111.208 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 62' ' ' ILE . 94.4 mt -87.26 -17.79 31.72 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.855 0.862 . . . . 55.31 112.286 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.664 HG12 ' HG3' ' B' ' 57' ' ' ARG . 58.1 t -93.39 106.64 21.31 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 123.275 0.63 . . . . 73.4 110.399 174.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.25 -10.48 16.3 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.822 2.348 . . . . 75.31 113.182 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.51 25.28 4.52 Favored Glycine 0 CA--C 1.54 1.627 0 N-CA-C 115.114 0.806 . . . . 71.4 115.114 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.03 120.54 70.74 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 123.333 0.653 . . . . 73.03 110.07 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.56 175.01 5.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.764 2.309 . . . . 72.1 113.9 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -88.3 105.94 17.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.229 0.612 . . . . 74.32 111.626 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.97 48.61 5.69 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 116.522 -0.308 . . . . 74.33 112.752 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -104.89 135.3 46.49 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.438 0.695 . . . . 73.44 111.874 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -102.19 91.82 4.47 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.728 0.811 . . . . 64.33 110.57 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.31 122.34 41.36 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.955 0.502 . . . . 72.03 111.204 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -73.42 172.84 10.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.355 0.662 . . . . 64.33 111.198 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.0 -46.43 21.7 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.784 1.234 . . . . 75.05 112.933 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.615 HG22 ' HG2' ' A' ' 29' ' ' MET . 3.4 t -71.63 -40.97 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 115.278 -0.874 . . . . 70.31 110.481 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.17 -26.59 66.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.731 0.812 . . . . 70.21 112.603 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.403 ' O ' HG21 ' B' ' 58' ' ' VAL . 83.3 mt -67.14 -44.89 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.798 0.439 . . . . 74.5 110.155 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 36' ' ' LEU . 93.0 mt -56.73 -48.06 78.61 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.176 0.591 . . . . 75.02 111.019 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.44 -44.5 84.78 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.217 1.007 . . . . 75.12 111.368 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.664 ' HG3' HG12 ' B' ' 40' ' ' VAL . 5.3 tpm_? -58.94 -38.18 78.41 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.663 1.185 . . . . 71.43 111.888 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 54' ' ' ILE . 85.0 t -71.81 -39.83 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.803 0.841 . . . . 73.51 111.246 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 55' ' ' LEU . 71.5 mt -62.32 -45.31 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.563 0.345 . . . . 71.33 110.247 175.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -56.89 -43.61 81.5 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.667 0.787 . . . . 71.41 111.61 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.54 ' HB2' HG13 ' B' ' 40' ' ' VAL . 39.1 t80 -57.23 -51.78 67.98 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.044 0.938 . . . . 74.33 111.99 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.497 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 69.1 mt -65.47 -46.71 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.554 0.342 . . . . 72.13 110.491 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -30.22 71.31 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.307 0.643 . . . . 73.11 112.161 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.58 -34.48 78.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.138 0.975 . . . . 75.13 110.782 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.78 -39.99 56.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.652 0.781 . . . . 64.21 111.291 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 68.8 mm-40 -72.7 138.22 46.46 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.225 0.61 . . . . 75.2 112.189 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.79 141.75 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.283 0.633 . . . . 73.31 110.117 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 CA--C 1.563 1.476 0 C-N-CA 123.684 0.794 . . . . 71.44 109.973 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.211 0.053 . . . . 70.1 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.69 30.33 7.89 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 112.461 -0.256 . . . . 73.13 112.461 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -87.53 70.41 9.83 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.596 0.758 . . . . 75.23 111.373 -174.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -98.85 53.76 1.0 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.944 0.878 . . . . 70.23 111.033 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -100.76 111.06 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.362 -0.836 . . . . 74.13 111.146 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -76.24 135.16 39.67 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.705 0.802 . . . . 73.22 111.097 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -171.15 155.45 4.38 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.096 0.558 . . . . 64.42 111.526 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -158.86 147.12 18.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.421 1.088 . . . . 73.41 109.891 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -130.59 150.28 51.86 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.322 0.649 . . . . 63.0 111.791 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -142.82 -54.73 0.41 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.119 0.967 . . . . 71.52 109.927 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.6 mmt 64.36 -76.06 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.547 1.539 . . . . 74.13 112.205 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.58 107.24 0.45 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 112.608 -0.197 . . . . 72.03 112.608 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.96 -85.71 0.12 Allowed Glycine 0 C--N 1.342 0.907 0 N-CA-C 111.985 -0.446 . . . . 45.24 111.985 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.776 ' HA2' ' HB ' ' B' ' 43' ' ' VAL . . . 67.08 -149.19 51.02 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 120.068 -0.296 . . . . 72.45 113.603 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp 68.19 129.15 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.329 1.452 . . . . 74.44 113.212 172.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.55 -173.06 27.52 Favored Glycine 0 CA--C 1.541 1.698 0 O-C-N 121.971 -0.456 . . . . 73.32 113.783 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -86.82 -150.45 0.04 OUTLIER 'Trans proline' 0 CA--C 1.56 1.814 0 C-N-CA 123.627 2.885 . . . . 73.43 113.048 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.33 -58.89 2.74 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.257 0.623 . . . . 74.12 110.408 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB2' HH22 ' B' ' 37' ' ' ARG . . . 57.36 92.78 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.668 1.587 . . . . 74.2 113.812 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.0 174.13 8.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.79 -1.095 . . . . 73.13 110.767 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.36 160.26 16.12 Favored Pre-proline 0 N--CA 1.489 1.522 0 C-N-CA 122.527 0.331 . . . . 73.43 111.842 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.48 112.26 3.16 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.604 2.203 . . . . 74.23 112.192 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD23 ' SD ' ' A' ' 29' ' ' MET . 69.5 mt -86.1 -2.17 58.08 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.687 0.795 . . . . 74.52 112.222 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -78.93 75.06 5.44 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.86 0.864 . . . . 72.43 112.126 -176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.5 mt -134.58 -72.85 0.48 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.379 1.072 . . . . 75.13 109.251 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -153.66 -174.81 5.09 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.057 1.343 . . . . 64.23 107.495 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 1.3 m-20 -72.94 43.68 0.12 Allowed 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.925 0.89 . . . . 74.41 113.15 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.45 -39.09 86.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.713 0.805 . . . . 72.4 111.763 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.607 ' HG2' HG22 ' B' ' 52' ' ' VAL . 29.1 mtp -64.76 -43.29 93.78 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.332 -0.395 . . . . 64.14 111.243 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.61 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 27.6 t-20 -67.57 -30.29 69.87 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.54 0.736 . . . . 74.15 111.314 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.37 -40.02 81.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.518 0.727 . . . . 72.33 110.574 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.2 m -68.12 -39.39 82.76 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.113 -0.494 . . . . 73.4 111.101 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.71 -38.49 73.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.05 0.94 . . . . 73.53 112.357 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.0 p -64.29 -40.73 96.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.981 0.513 . . . . 72.51 110.123 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HD3' HD13 ' B' ' 59' ' ' ILE . 64.8 ttt180 -64.83 -40.29 94.94 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.385 -0.825 . . . . 65.54 111.739 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.3 mt -61.55 -42.8 99.36 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.874 0.47 . . . . 75.4 111.41 174.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HE ' HD11 ' A' ' 54' ' ' ILE . 92.9 mtt180 -55.4 -28.36 53.61 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.541 0.736 . . . . 73.05 112.017 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.96 -32.59 20.02 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.959 0.903 . . . . 74.52 110.583 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.512 HD23 HE22 ' B' ' 66' ' ' GLN . 82.1 mt -85.71 -9.41 57.21 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.592 0.757 . . . . 74.03 112.966 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' LEU . 42.0 t -102.27 101.53 19.92 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 123.047 0.539 . . . . 73.31 110.348 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.81 -31.36 25.34 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.402 2.734 . . . . 74.03 113.729 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.96 66.3 3.8 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 121.37 0.428 . . . . 73.31 113.677 -175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.67 130.87 21.84 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.348 1.059 . . . . 72.1 109.924 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.8 118.54 5.52 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.443 2.096 . . . . 74.24 110.828 167.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -71.41 105.43 3.54 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.131 0.573 . . . . 73.13 110.804 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.74 35.68 1.83 Allowed Glycine 0 N--CA 1.477 1.429 0 CA-C-N 116.514 -0.312 . . . . 75.43 113.455 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 48' ' ' GLN . 20.7 m -104.73 -129.48 0.26 Allowed 'General case' 0 CA--C 1.569 1.696 0 C-N-CA 123.427 0.691 . . . . 75.44 109.164 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' H ' HG21 ' A' ' 47' ' ' THR . 96.8 mt-30 -130.43 -78.8 0.54 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 120.066 1.303 . . . . 75.31 110.561 -174.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 53' ' ' GLU . 18.2 mt 51.7 67.39 0.97 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.217 1.007 . . . . 73.24 112.268 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -78.11 -68.07 0.67 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.44 -176.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -127.28 -78.51 0.58 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.108 0.563 . . . . 55.24 111.083 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' B' ' 29' ' ' MET . 2.4 t -73.86 -34.06 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 123.817 0.847 . . . . 72.42 111.82 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 49' ' ' LEU . 27.3 mt-10 -52.0 -37.96 55.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.503 1.121 . . . . 74.51 111.884 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.46 HD11 ' HE ' ' A' ' 37' ' ' ARG . 79.9 mt -62.94 -55.14 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.749 0.82 . . . . 73.41 110.519 173.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.9 -48.46 51.59 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.124 0.97 . . . . 75.42 112.719 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.7 -44.08 93.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.959 0.904 . . . . 72.14 112.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -74.5 -24.9 59.07 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.889 0.7 . . . . 73.45 112.889 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG11 HG13 ' B' ' 58' ' ' VAL . 77.2 t -70.96 -43.07 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.571 0.348 . . . . 73.12 110.464 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.93 -48.02 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.163 0.585 . . . . 74.02 110.271 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.21 -37.6 75.13 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.184 0.994 . . . . 74.44 112.019 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.01 -52.75 61.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.273 1.029 . . . . 74.14 111.359 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.56 -43.43 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 123.016 0.526 . . . . 74.54 111.342 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.64 -35.81 77.12 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.673 0.789 . . . . 73.11 112.51 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.04 -35.83 82.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.757 0.423 . . . . 73.43 111.06 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.11 -40.54 62.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.446 0.699 . . . . 73.54 111.506 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.04 177.64 8.79 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.192 0.997 . . . . 61.15 111.751 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.8 t -95.6 115.21 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 122.864 0.466 . . . . 71.43 110.808 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 CA--C 1.565 1.54 0 C-N-CA 123.861 0.865 . . . . 75.42 110.545 177.521 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 mmt . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 111.81 0.3 . . . . 73.1 111.81 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.27 -101.6 1.16 Allowed Glycine 0 CA--C 1.536 1.387 0 N-CA-C 112.407 -0.277 . . . . 74.22 112.407 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -170.48 -47.39 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.942 0.897 . . . . 75.11 109.511 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.54 -177.26 3.87 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.822 0.849 . . . . 71.41 112.102 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -90.26 29.58 1.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.388 1.075 . . . . 74.42 111.231 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.22 172.08 10.88 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.109 0.963 . . . . 74.41 112.983 -173.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -88.79 21.11 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.685 0.994 . . . . 74.45 113.685 -161.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.94 73.1 7.97 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.5 0.72 . . . . 72.1 112.036 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 m -92.99 121.26 34.14 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 73.42 110.624 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -133.23 159.23 40.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.62 0.768 . . . . 73.34 111.502 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' MET . . . . . 0.474 ' HA ' ' HE2' ' B' ' 11' ' ' MET . 17.6 mmt -96.58 101.5 13.12 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.716 0.806 . . . . 72.13 109.752 172.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.71 -144.57 4.06 Favored Glycine 0 N--CA 1.481 1.642 0 N-CA-C 113.733 0.253 . . . . 42.24 113.733 -176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.15 -103.61 1.19 Allowed Glycine 0 CA--C 1.537 1.44 0 C-N-CA 122.896 0.284 . . . . 64.51 113.037 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.64 119.41 0.51 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 112.724 -0.15 . . . . 64.2 112.724 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -115.59 -27.44 7.12 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.62 0.768 . . . . 75.23 111.938 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.39 77.18 0.88 Allowed Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.388 -0.673 . . . . 70.23 113.128 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.95 89.06 0.18 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.194 2.596 . . . . 73.0 113.734 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.87 162.75 13.1 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.065 0.946 . . . . 63.51 111.336 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.61 174.28 12.3 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.332 0.653 . . . . 70.53 112.088 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.15 111.9 1.51 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.897 0.879 . . . . 74.02 111.216 176.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -126.44 144.1 48.33 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 123.613 0.765 . . . . 72.43 111.801 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.96 119.14 6.1 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.223 2.616 . . . . 74.33 113.091 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.16 -17.43 63.82 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 113.244 0.831 . . . . 73.14 113.244 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.9 m -70.09 86.68 0.56 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.107 0.563 . . . . 72.3 110.748 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -92.18 154.63 18.55 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.334 0.654 . . . . 74.21 112.288 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.81 16.17 16.31 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.8 0.84 . . . . 72.11 109.756 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.578 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 7.9 m-20 56.49 32.19 20.29 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.356 1.062 . . . . 73.25 112.334 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.15 -39.26 78.32 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 122.964 0.506 . . . . 73.23 111.563 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.538 ' HG2' HG23 ' A' ' 52' ' ' VAL . 60.1 mtp -67.29 -39.84 86.01 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.9 0.48 . . . . 72.3 111.294 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.578 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 54.4 t-20 -62.19 -48.68 78.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.463 1.105 . . . . 74.24 110.985 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -61.03 -37.99 84.54 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.161 0.584 . . . . 71.24 111.563 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.31 -43.83 89.79 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.728 -0.669 . . . . 65.43 111.904 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . 0.417 ' O ' ' HG3' ' B' ' 37' ' ' ARG . 12.2 m-85 -66.54 -37.06 84.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.377 0.671 . . . . 74.35 111.923 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -61.75 -42.82 99.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.47 0.708 . . . . 74.23 110.808 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 52.4 mtp85 -68.17 -38.24 81.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.672 0.789 . . . . 74.4 112.734 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.501 ' O ' HG23 ' B' ' 40' ' ' VAL . 86.7 mt -58.12 -47.28 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.59 0.356 . . . . 65.15 111.055 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.581 HH22 ' HB2' ' A' ' 19' ' ' ALA . 86.5 mtt-85 -55.97 -31.48 63.04 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.54 0.736 . . . . 73.34 112.655 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.3 -39.91 38.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.376 0.671 . . . . 75.34 110.85 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 35' ' ' ARG . 73.7 mt -79.93 -23.62 41.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.64 -0.709 . . . . 74.42 112.832 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 36' ' ' LEU . 19.4 t -97.26 107.32 37.67 Favored Pre-proline 0 N--CA 1.484 1.239 0 C-N-CA 122.877 0.471 . . . . 72.43 110.807 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.92 -7.43 18.31 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 123.063 2.508 . . . . 71.44 112.689 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -14.69 64.85 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.201 0.841 . . . . 74.23 115.201 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.776 ' HB ' ' HA2' ' A' ' 14' ' ' GLY . 50.2 t -75.58 116.99 60.11 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.791 0.795 . . . . 71.42 110.42 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.85 119.24 6.29 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.409 2.072 . . . . 70.31 111.95 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -55.32 104.49 0.13 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.572 0.749 . . . . 74.45 111.438 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.82 -34.91 1.65 Allowed Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 62.34 111.987 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -84.52 144.24 28.82 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.572 0.349 . . . . 71.31 110.63 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.55 -57.84 2.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.546 0.339 . . . . 71.12 111.062 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt 67.79 132.13 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 124.941 1.297 . . . . 75.1 111.921 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.7 p -100.5 -175.03 2.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.964 -0.46 . . . . 74.21 111.855 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -44.29 -52.4 7.58 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.786 1.773 . . . . 75.33 115.786 -162.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.607 HG22 ' HG2' ' A' ' 29' ' ' MET . 10.7 t -72.3 -37.93 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.37 -31.02 71.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.165 0.586 . . . . 74.41 111.793 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.507 HD13 ' NH2' ' B' ' 37' ' ' ARG . 92.0 mt -58.95 -52.38 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.192 0.597 . . . . 74.25 109.89 170.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.17 -46.77 82.5 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.36 0.664 . . . . 75.02 111.939 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.478 HE21 HG12 ' B' ' 52' ' ' VAL . 77.0 mt-30 -59.76 -40.07 86.94 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.889 0.876 . . . . 63.25 112.104 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.47 -37.83 77.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.751 0.82 . . . . 74.24 111.383 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.426 HG13 HG11 ' A' ' 58' ' ' VAL . 82.5 t -66.47 -45.7 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.541 0.736 . . . . 75.12 111.089 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 89.1 mt -55.15 -49.49 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.046 0.538 . . . . 75.22 110.295 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.87 -39.5 85.46 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.587 0.755 . . . . 53.31 112.216 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -45.9 83.56 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.843 0.857 . . . . 75.34 111.069 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.438 HG23 ' HB3' ' A' ' 39' ' ' LEU . 55.4 mt -70.71 -37.85 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.13 0.572 . . . . 71.52 111.262 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 87.3 mt -63.27 -35.28 79.84 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.414 0.686 . . . . 74.33 111.62 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.31 -41.96 98.97 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.161 0.584 . . . . 71.11 110.962 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.11 -33.53 74.68 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.218 0.607 . . . . 73.33 112.143 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.512 HE22 HD23 ' A' ' 39' ' ' LEU . 46.0 mt-30 -82.04 -60.97 2.04 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 112.932 0.716 . . . . 65.25 112.932 -176.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -87.87 10.55 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 122.517 1.151 . . . . 70.15 112.994 -165.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 CA--C 1.565 1.545 0 C-N-CA 124.331 1.052 . . . . 71.22 109.265 172.085 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 109.341 -0.615 . . . . 74.53 109.341 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.78 -82.31 0.28 Allowed Glycine 0 C--N 1.349 1.289 0 O-C-N 123.357 0.411 . . . . 71.43 112.659 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -166.89 170.8 11.87 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.994 0.518 . . . . 75.24 111.621 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -125.53 17.26 8.19 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.457 1.103 . . . . 73.14 110.311 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -87.73 32.47 0.73 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.807 0.843 . . . . 74.51 111.414 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -69.44 -47.68 63.29 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.717 0.807 . . . . 73.34 111.024 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -110.94 146.13 37.13 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.703 1.201 . . . . 64.15 110.601 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -135.16 102.32 5.15 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.364 0.666 . . . . 75.02 110.796 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.0 p -93.64 154.65 17.72 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.293 0.637 . . . . 73.25 110.857 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -89.0 97.39 11.17 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.6 0.36 . . . . 75.44 110.212 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ttt -82.08 126.16 31.69 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.596 0.358 . . . . 73.35 110.207 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.64 157.31 16.6 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 116.519 -0.309 . . . . 63.11 113.149 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.98 165.08 20.58 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 112.321 -0.312 . . . . 75.42 112.321 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.37 -119.61 4.54 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 112.106 -0.398 . . . . 72.14 112.106 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -153.9 125.98 7.86 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.486 0.715 . . . . 75.11 110.154 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.73 118.44 5.48 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-O 118.966 -0.908 . . . . 44.14 112.676 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.53 -176.14 3.1 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.991 2.461 . . . . 73.44 113.237 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 140.22 42.83 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.172 0.589 . . . . 64.42 111.011 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.87 154.02 18.69 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.729 0.812 . . . . 64.34 112.648 -174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.59 65.8 5.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 122.667 1.222 . . . . 74.51 109.511 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.91 147.81 97.86 Favored Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 114.077 -1.419 . . . . 74.02 112.782 -169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.78 147.44 50.38 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.551 2.168 . . . . 74.24 111.111 168.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.5 60.52 5.7 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 121.734 0.778 . . . . 74.5 111.595 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 p -85.63 86.02 7.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.763 0.825 . . . . 71.13 110.309 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.34 103.32 7.21 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.702 -0.681 . . . . 73.41 111.709 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 HD21 ' N ' ' A' ' 27' ' ' ASP . 6.2 tt -145.19 151.29 38.2 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.153 -1.054 . . . . 72.41 108.153 174.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' N ' HD21 ' A' ' 26' ' ' LEU . 7.5 p-10 -77.6 32.11 0.16 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 114.041 1.126 . . . . 74.31 114.041 -172.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.48 -33.1 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.037 0.935 . . . . 61.23 111.893 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.587 ' HG2' HG23 ' B' ' 52' ' ' VAL . 25.3 mtp -60.68 -37.41 81.5 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.647 0.779 . . . . 63.43 111.606 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.82 -41.86 95.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.037 0.935 . . . . 63.42 111.296 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.5 -37.23 82.53 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.495 0.718 . . . . 63.02 111.104 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.62 -50.22 70.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.192 0.597 . . . . 71.21 110.957 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -62.43 -36.61 82.93 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.2 1.0 . . . . 72.24 112.749 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 t -60.92 -48.21 82.86 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.013 0.525 . . . . 65.44 111.307 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 HH21 HG21 ' B' ' 59' ' ' ILE . 30.2 ttp180 -74.93 -24.75 58.54 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.979 0.511 . . . . 72.35 112.192 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.0 mt -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 120.747 0.308 . . . . 75.33 110.334 169.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -59.33 -18.59 39.37 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.965 0.906 . . . . 75.32 112.886 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.22 -29.13 14.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.993 0.917 . . . . 72.21 111.428 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' B' ' 62' ' ' ILE . 82.2 mt -83.3 -27.1 30.03 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.903 0.881 . . . . 75.42 112.608 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 57' ' ' ARG . 44.6 t -87.8 109.4 26.76 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.308 0.643 . . . . 75.33 109.733 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.05 -24.62 52.23 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.927 2.418 . . . . 73.33 113.354 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.65 44.75 3.4 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 114.528 0.571 . . . . 62.11 114.528 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -96.02 110.36 51.49 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 123.289 0.635 . . . . 75.02 109.423 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.09 130.83 26.75 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.534 2.156 . . . . 73.23 111.968 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -60.79 131.4 50.58 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.285 0.634 . . . . 74.44 112.067 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.42 -3.27 63.52 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.104 0.802 . . . . 74.31 115.104 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.2 m -90.5 109.65 20.79 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 117.823 0.811 . . . . 65.32 110.541 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.46 104.82 2.86 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 121.533 0.682 . . . . 73.31 110.895 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.61 114.76 19.73 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.772 -0.649 . . . . 75.54 110.82 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB2' ' HG2' ' A' ' 53' ' ' GLU . 19.7 m -66.11 165.35 13.73 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.459 0.704 . . . . 62.15 110.784 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -38.16 69.08 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.296 0.638 . . . . 75.11 112.354 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG11 HE21 ' A' ' 56' ' ' GLN . 17.5 t -72.34 -38.74 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.125 0.57 . . . . 70.03 111.123 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' A' ' 50' ' ' SER . 23.9 mm-40 -65.85 -34.85 79.1 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.358 0.663 . . . . 74.21 111.92 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.34 -44.44 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.304 0.642 . . . . 73.55 110.273 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 HD13 ' B' ' 36' ' ' LEU . 89.3 mt -56.34 -48.18 77.29 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.265 0.626 . . . . 75.25 111.202 174.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 HE21 HG11 ' A' ' 52' ' ' VAL . 76.6 mt-30 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.105 0.962 . . . . 74.13 112.561 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 mmp_? -67.77 -38.42 83.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.491 0.716 . . . . 75.32 111.779 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG11 HG13 ' B' ' 58' ' ' VAL . 75.0 t -69.2 -45.02 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.407 0.683 . . . . 74.31 111.508 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.51 -48.73 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.296 0.639 . . . . 74.32 110.65 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.99 -31.87 72.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.244 0.617 . . . . 71.32 111.567 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.0 -48.82 77.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.582 0.753 . . . . 73.22 110.979 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' B' ' 39' ' ' LEU . 57.6 mt -71.72 -44.9 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.482 0.713 . . . . 74.22 111.117 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.59 -29.53 70.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.888 0.875 . . . . 72.33 112.423 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.25 -42.23 96.59 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.547 0.739 . . . . 61.24 110.783 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.48 -33.41 64.82 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.748 0.819 . . . . 74.23 111.733 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -79.12 144.14 34.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.502 0.721 . . . . 64.11 110.918 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.22 113.57 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.159 0.584 . . . . 74.02 110.228 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.577 2.005 0 C-N-CA 125.029 1.332 . . . . 72.15 112.316 178.814 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 110.639 -0.134 . . . . 64.52 110.639 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.96 151.01 38.37 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.264 0.353 . . . . 73.14 113.118 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.61 118.01 20.32 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.209 0.604 . . . . 75.31 110.781 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.59 117.71 10.68 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.259 1.024 . . . . 74.23 112.598 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -95.19 -29.09 14.72 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.269 0.627 . . . . 73.15 109.592 168.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -94.07 159.61 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.314 1.046 . . . . 75.21 110.751 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -154.57 142.88 20.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.349 0.66 . . . . 70.22 110.343 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -154.18 145.86 23.3 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.74 0.816 . . . . 75.31 110.026 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -137.65 153.41 49.85 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.565 0.746 . . . . 73.01 110.778 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.94 135.53 41.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.867 0.867 . . . . 71.03 110.656 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 97.0 mmm -78.34 152.21 32.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.372 0.669 . . . . 75.24 112.361 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.25 128.3 9.79 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 115.958 -0.564 . . . . 63.5 112.261 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.43 144.14 7.56 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 117.479 0.64 . . . . 64.43 113.101 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.18 178.83 31.62 Favored Glycine 0 N--CA 1.476 1.347 0 C-N-CA 123.409 0.528 . . . . 62.32 112.503 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -63.15 1.29 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.237 0.518 . . . . 74.53 111.747 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.96 -155.85 14.49 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-O 119.86 -0.411 . . . . 73.02 113.842 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.87 169.41 13.26 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 123.193 2.595 . . . . 70.3 112.736 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.81 173.65 7.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.192 0.597 . . . . 65.22 111.801 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.2 24.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.451 0.7 . . . . 72.25 111.352 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.9 112.99 26.27 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.798 0.839 . . . . 70.44 110.347 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 142.06 85.47 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.361 0.664 . . . . 53.35 111.416 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.38 154.23 42.56 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.099 2.533 . . . . 74.5 114.546 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt 67.1 6.53 4.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 125.524 1.53 . . . . 74.03 113.667 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -109.65 95.17 5.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.824 0.85 . . . . 73.04 111.696 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tt -166.88 117.21 0.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.461 0.704 . . . . 71.12 109.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.65 33.18 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.446 0.699 . . . . 72.32 110.219 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 57.37 28.44 15.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.581 1.152 . . . . 74.21 113.558 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.12 -35.77 69.86 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.262 0.625 . . . . 74.42 111.421 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.433 ' HE1' HG22 ' A' ' 52' ' ' VAL . 26.7 ttm -56.64 -44.94 81.76 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.967 0.907 . . . . 73.03 112.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -66.26 -38.16 87.2 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.08 0.552 . . . . 73.52 110.968 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.76 -33.11 73.35 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.147 0.579 . . . . 71.12 111.907 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 95.0 m -70.53 -41.96 71.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.308 0.643 . . . . 74.32 111.467 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -62.31 -35.19 78.29 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.672 0.789 . . . . 63.2 111.654 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.2 t -59.72 -42.75 93.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.574 0.749 . . . . 74.34 111.066 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.25 -29.11 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.052 -0.522 . . . . 74.23 112.292 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.478 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.3 mt -60.17 -45.74 92.07 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 73.55 110.123 170.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -58.24 -24.27 58.73 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.96 0.904 . . . . 75.41 113.041 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.09 -31.41 16.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.369 0.667 . . . . 75.44 111.403 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.473 ' HB3' HG23 ' A' ' 62' ' ' ILE . 96.0 mt -87.68 -15.48 37.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.848 0.859 . . . . 73.25 113.298 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 36' ' ' LEU . 20.3 t -100.03 103.85 25.22 Favored Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 122.792 0.437 . . . . 74.51 110.509 176.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.01 -11.14 15.09 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.943 2.429 . . . . 73.51 112.936 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.09 41.99 3.13 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 123.079 0.371 . . . . 75.12 113.129 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.53 110.73 52.54 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.976 0.91 . . . . 74.51 109.132 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.463 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 45.0 Cg_exo -59.06 155.98 36.5 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.983 2.456 . . . . 74.42 113.924 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.69 125.31 24.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.332 0.653 . . . . 74.4 111.004 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.73 31.45 64.08 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 114.678 0.631 . . . . 71.21 114.678 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.463 ' HB ' ' HB2' ' B' ' 44' ' ' PRO . 8.8 t -70.79 -20.11 62.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.854 0.687 . . . . 71.42 112.854 -176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.402 1.081 . . . . 72.14 111.422 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' B' ' 53' ' ' GLU . 86.4 mt -123.5 161.62 24.51 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.271 1.034 . . . . 64.12 113.513 -172.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' B' ' 53' ' ' GLU . 25.0 t -116.76 173.57 6.56 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.937 1.695 . . . . 62.43 109.327 170.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.99 -40.69 67.17 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.546 0.738 . . . . 74.34 112.016 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.587 HG23 ' HG2' ' A' ' 29' ' ' MET . 18.2 t -67.0 -45.5 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.256 0.623 . . . . 71.31 110.51 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.523 ' HB3' HD22 ' B' ' 49' ' ' LEU . 19.3 mm-40 -60.89 -34.1 74.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.031 . . . . 75.13 112.091 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.29 -53.15 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.101 0.561 . . . . 71.34 109.578 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.423 ' O ' HG13 ' B' ' 59' ' ' ILE . 95.6 mt -53.85 -41.1 67.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.623 0.769 . . . . 72.53 111.857 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.533 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -63.33 -52.04 63.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.61 0.764 . . . . 75.12 111.601 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -30.75 69.55 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 123.341 0.656 . . . . 74.45 111.757 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.502 HG13 HG11 ' A' ' 58' ' ' VAL . 56.0 t -65.99 -48.18 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.485 0.714 . . . . 63.24 110.678 173.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 55' ' ' LEU . 86.8 mt -57.47 -47.79 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.972 0.509 . . . . 72.32 110.38 176.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.14 -44.4 79.2 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.018 0.927 . . . . 72.53 111.983 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -59.2 -48.49 81.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.092 0.957 . . . . 75.31 111.8 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 39' ' ' LEU . 63.1 mt -68.97 -28.51 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 123.218 0.607 . . . . 71.01 111.371 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.15 -30.38 71.44 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.83 0.678 . . . . 54.32 112.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.51 -32.43 62.5 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.265 0.626 . . . . 72.15 111.863 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.4 mt -74.18 -35.79 64.02 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.415 0.686 . . . . 75.21 111.51 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -100.18 -177.65 3.59 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.822 1.249 . . . . 75.12 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.93 103.91 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 108.533 -0.914 . . . . 71.32 108.533 167.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.843 0.857 . . . . 72.02 112.866 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.268 0.08 . . . . 75.2 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.36 -0.49 89.65 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 114.366 0.506 . . . . 74.15 114.366 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -91.43 134.55 34.53 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.546 0.738 . . . . 74.1 110.775 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -77.09 -37.63 54.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.028 0.931 . . . . 73.42 112.517 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.16 35.67 18.42 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.538 1.135 . . . . 74.33 113.041 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.55 34.98 0.44 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.844 0.858 . . . . 73.22 113.126 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.87 138.39 31.59 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.511 0.724 . . . . 73.22 110.583 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -144.46 126.53 15.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.02 0.928 . . . . 75.53 110.139 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.3 m -144.97 176.88 9.16 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.506 0.723 . . . . 73.15 110.576 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -114.74 118.85 34.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.043 0.537 . . . . 74.52 110.452 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 ptp -86.22 171.32 11.37 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 122.764 0.426 . . . . 75.01 110.811 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.26 163.02 36.26 Favored Glycine 0 N--CA 1.472 1.078 0 CA-C-N 116.619 -0.264 . . . . 52.14 112.913 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.6 127.63 5.6 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 116.637 0.219 . . . . 75.34 112.8 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.72 92.24 0.77 Allowed Glycine 0 N--CA 1.473 1.16 0 N-CA-C 112.057 -0.417 . . . . 72.32 112.057 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -79.07 139.43 38.11 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.489 0.552 . . . . 72.11 112.489 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.76 90.29 0.57 Allowed Glycine 0 CA--C 1.535 1.316 0 N-CA-C 110.515 -1.034 . . . . 73.33 110.515 169.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.27 161.01 39.5 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.851 2.368 . . . . 73.45 113.785 -173.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.33 120.33 16.74 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.595 0.758 . . . . 75.5 111.202 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 98.27 1.36 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.069 0.548 . . . . 74.35 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 69.22 93.86 0.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.416 1.486 . . . . 72.33 110.667 -175.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.33 140.03 91.73 Favored Pre-proline 0 N--CA 1.493 1.688 0 C-N-CA 123.425 0.69 . . . . 74.15 112.413 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD3' ' HE1' ' B' ' 5' ' ' HIS . 65.3 Cg_endo -82.24 173.99 10.34 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.788 2.325 . . . . 75.35 114.316 -170.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.05 150.53 23.14 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.646 0.778 . . . . 75.22 111.264 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 p -147.14 -59.2 0.28 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.222 1.009 . . . . 71.33 110.262 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -117.47 -78.74 0.58 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.833 0.853 . . . . 71.2 108.98 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -131.45 -28.56 1.85 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.211 1.004 . . . . 64.34 110.026 169.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.75 91.44 0.06 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.078 1.351 . . . . 74.33 110.088 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.46 -38.64 71.96 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.795 1.238 . . . . 75.24 112.812 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.444 ' HB2' HG22 ' B' ' 52' ' ' VAL . 4.7 ttm -64.82 -46.92 79.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.361 0.665 . . . . 75.42 111.805 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -63.45 -34.6 78.11 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 123.716 0.806 . . . . 73.34 111.037 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.23 -36.77 77.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.049 0.939 . . . . 74.34 110.974 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.18 -39.0 82.65 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.918 -0.583 . . . . 73.21 111.242 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' HD1' HG23 ' A' ' 54' ' ' ILE . 20.6 m-85 -62.82 -35.33 79.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.773 0.829 . . . . 72.1 111.58 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.4 t -60.51 -46.81 88.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.301 0.64 . . . . 74.43 110.778 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.13 -37.63 87.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.713 0.805 . . . . 75.1 112.924 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD12 HD23 ' B' ' 55' ' ' LEU . 91.9 mt -59.18 -49.03 79.41 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.903 -0.406 . . . . 74.14 109.903 175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HE ' HD11 ' A' ' 49' ' ' LEU . 63.7 mtp180 -63.43 -18.62 63.93 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 113.406 0.891 . . . . 74.54 113.406 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' SER . 53.8 mm-40 -85.17 -43.83 13.48 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.262 0.553 . . . . 72.44 110.676 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD22 HD22 ' B' ' 63' ' ' LEU . 83.6 mt -75.38 -24.04 57.18 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.043 0.937 . . . . 75.12 112.542 -175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.0 t -93.24 105.94 17.75 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 123.373 0.669 . . . . 73.03 110.223 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -84.01 3.52 7.56 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.03 2.487 . . . . 75.34 113.141 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.17 32.98 4.18 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.123 0.392 . . . . 62.33 113.962 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.15 110.91 32.29 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.715 0.806 . . . . 74.04 109.634 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.75 79.35 1.94 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 123.012 2.475 . . . . 73.41 114.892 -168.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? 53.35 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.411 1.484 . . . . 71.42 112.888 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -107.81 2.26 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-O 119.357 -0.691 . . . . 73.54 111.516 -173.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m 65.48 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.024 1.329 . . . . 53.21 113.065 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.41 -46.37 83.55 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.099 -0.376 . . . . 74.2 111.2 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD11 ' HE ' ' A' ' 37' ' ' ARG . 95.6 mt 64.65 112.58 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.996 1.318 . . . . 75.33 110.665 -168.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -62.1 150.8 37.39 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 110.329 -0.248 . . . . 74.21 110.329 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -56.2 -35.11 66.91 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.33 1.052 . . . . 74.21 112.159 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.632 HG22 ' HG2' ' B' ' 29' ' ' MET . 19.4 t -73.38 -47.0 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.094 0.557 . . . . 63.04 110.853 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -54.31 -30.26 50.54 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.423 1.089 . . . . 73.35 112.68 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 58' ' ' VAL . 74.0 mt -61.42 -55.95 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 122.827 0.451 . . . . 75.2 109.939 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD21 HD13 ' B' ' 36' ' ' LEU . 96.1 mt -56.08 -45.59 79.3 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.61 0.764 . . . . 74.24 112.207 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.83 -35.37 80.49 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.986 0.914 . . . . 72.12 111.662 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HG2' HG11 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -73.54 -30.91 63.37 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.243 0.617 . . . . 71.25 111.049 176.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 54' ' ' ILE . 69.2 t -70.66 -44.14 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.281 0.633 . . . . 74.12 110.52 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 83.7 mt -58.51 -50.18 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 122.835 0.454 . . . . 73.45 109.957 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -47.28 43.95 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.95 1.3 . . . . 75.34 111.431 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.25 -42.28 96.59 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.457 1.103 . . . . 70.43 112.339 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 58' ' ' VAL . 66.8 mt -71.73 -26.94 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 122.686 0.394 . . . . 71.34 110.691 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.2 mt -67.53 -33.47 75.13 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.032 0.533 . . . . 74.14 110.747 171.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.91 -38.81 83.4 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.631 0.772 . . . . 74.32 110.861 172.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.62 -46.27 79.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.279 0.632 . . . . 74.23 111.127 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -85.15 173.49 10.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.387 1.075 . . . . 75.2 111.865 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.63 98.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.282 0.633 . . . . 72.02 109.551 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 CA--C 1.58 2.135 0 C-N-CA 125.314 1.446 . . . . 74.43 112.46 179.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.65 0.262 . . . . 72.22 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.07 128.17 8.35 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 116.096 -0.502 . . . . 72.34 112.284 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -67.51 -61.04 2.09 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.476 0.71 . . . . 73.22 111.231 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -155.06 161.29 41.36 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.379 0.672 . . . . 74.5 109.885 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.485 ' HE1' ' HD3' ' A' ' 22' ' ' PRO . 54.9 m80 69.28 157.76 0.16 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.212 1.405 . . . . 73.42 112.494 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.6 65.58 6.98 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.097 0.559 . . . . 73.4 110.158 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 62.03 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.178 1.391 . . . . 74.33 111.755 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -121.44 -27.78 4.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.089 0.955 . . . . 73.43 110.889 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t 75.72 -49.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 126.096 1.758 . . . . 75.12 112.645 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 73.51 143.42 0.07 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.119 1.767 . . . . 74.23 112.507 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.1 ptp -124.32 -167.23 1.62 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.307 1.043 . . . . 65.22 109.397 175.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.09 47.29 3.54 Favored Glycine 0 CA--C 1.541 1.704 0 CA-C-N 117.724 0.238 . . . . 71.12 113.178 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.51 -171.69 46.49 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 114.501 0.56 . . . . 71.01 114.501 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.98 59.3 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.51 -0.636 . . . . 63.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -72.49 97.0 2.01 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.695 0.798 . . . . 75.3 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.91 69.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 115.721 -0.672 . . . . 71.11 112.914 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -83.9 158.33 13.74 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.492 2.128 . . . . 72.11 112.347 170.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.83 -18.34 35.24 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.989 0.515 . . . . 74.43 111.215 172.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 71.99 153.82 0.13 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.257 1.423 . . . . 73.25 112.928 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 59.98 22.85 11.95 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.911 1.284 . . . . 75.32 112.097 -173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.15 154.89 67.16 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 124.546 1.138 . . . . 62.33 111.633 -175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -65.4 162.12 35.07 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.475 2.117 . . . . 74.24 112.912 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.25 106.36 1.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.598 0.759 . . . . 74.13 112.254 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -158.97 -174.04 4.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.944 0.898 . . . . 73.11 109.93 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.36 152.79 23.12 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.279 0.631 . . . . 73.43 110.033 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -75.68 105.81 6.91 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.747 0.647 . . . . 74.14 112.747 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' B' ' 30' ' ' ASN . 18.8 m-20 -103.91 132.29 50.31 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.829 -1.174 . . . . 74.21 107.829 160.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.31 -35.06 67.12 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 121.669 0.747 . . . . 63.41 109.887 165.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.5 mtp -67.14 -31.28 71.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.461 1.104 . . . . 71.34 112.02 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.404 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 8.8 t30 -63.77 -35.67 81.36 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.961 0.904 . . . . 75.11 111.352 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -64.04 -31.99 73.38 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.316 0.646 . . . . 75.03 111.454 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -73.82 -46.28 46.22 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.226 0.61 . . . . 74.03 111.001 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.01 -30.41 67.98 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.282 1.033 . . . . 73.14 112.289 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -59.15 -54.73 43.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.512 0.725 . . . . 65.03 110.978 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.2 -24.55 63.14 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.102 0.778 . . . . 74.14 113.102 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.524 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.8 mt -60.98 -53.13 61.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.567 -0.531 . . . . 75.31 109.567 168.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.62 -24.28 65.38 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.582 0.753 . . . . 73.04 112.906 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -86.7 -22.57 25.98 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.873 0.469 . . . . 71.41 111.893 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.5 8.31 31.35 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.041 0.756 . . . . 73.2 113.041 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.711 HG13 ' HB3' ' B' ' 57' ' ' ARG . 36.9 t -114.43 112.12 46.33 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.799 -0.563 . . . . 75.03 111.742 175.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.55 -11.91 9.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.158 2.572 . . . . 72.4 113.962 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.14 55.42 4.57 Favored Glycine 0 N--CA 1.481 1.659 0 C-N-CA 122.868 0.271 . . . . 75.42 113.153 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' B' ' 57' ' ' ARG . 72.6 t -135.85 140.07 32.43 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 124.366 1.066 . . . . 73.23 109.739 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.96 150.46 30.59 Favored 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 122.257 1.971 . . . . 74.11 112.714 167.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.504 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 5.1 mpt_? -88.03 -32.72 18.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.057 0.543 . . . . 72.4 111.118 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.13 63.87 1.2 Allowed Glycine 0 CA--C 1.537 1.417 0 CA-C-N 116.347 -0.388 . . . . 74.01 112.257 172.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.1 t -152.53 164.35 37.78 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.415 0.626 . . . . 73.24 111.816 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.8 -19.02 12.15 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.081 -0.963 . . . . 72.43 110.147 168.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.16 172.88 0.3 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.373 1.469 . . . . 74.24 111.918 -170.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 46.7 t -103.13 169.05 8.79 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.298 -0.864 . . . . 73.22 109.595 166.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -49.73 72.0 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.592 0.757 . . . . 75.41 112.689 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 29' ' ' MET . 42.0 t -71.31 -33.24 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.709 0.404 . . . . 72.42 110.977 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.1 mm-40 -57.96 -40.53 80.8 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.36 0.664 . . . . 73.2 112.175 173.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.62 -51.54 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 122.963 0.505 . . . . 75.22 110.975 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 36' ' ' LEU . 65.1 mt -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.04 0.536 . . . . 75.43 111.847 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.6 -33.52 75.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.103 0.779 . . . . 73.3 113.103 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.711 ' HB3' HG13 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -64.24 -35.56 81.22 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.201 0.455 . . . . 75.45 110.359 175.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.13 -44.23 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 123.539 0.736 . . . . 73.34 110.919 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.94 -56.84 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.756 0.822 . . . . 73.3 111.47 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.3 -31.5 72.67 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.593 0.757 . . . . 75.11 112.839 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.68 -54.86 42.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.419 0.688 . . . . 73.31 110.575 171.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.18 -43.09 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 123.894 0.878 . . . . 75.52 111.758 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.421 HD22 HD22 ' A' ' 39' ' ' LEU . 71.6 mt -53.43 -47.34 69.71 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.021 0.928 . . . . 63.35 111.824 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.72 -31.24 72.35 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.655 -0.702 . . . . 75.41 111.677 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.63 -36.39 57.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.46 0.704 . . . . 75.23 111.74 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.63 -80.27 0.17 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.394 1.078 . . . . 74.23 111.804 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.53 130.63 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.703 0.801 . . . . 74.02 111.41 -172.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 CA--C 1.569 1.685 0 C-N-CA 123.635 0.774 . . . . 73.23 111.538 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.934 -0.395 . . . . 74.35 109.934 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.62 147.24 8.06 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 113.661 0.225 . . . . 74.31 113.661 177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -90.77 172.65 8.49 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.741 0.817 . . . . 74.0 110.572 173.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -148.97 110.09 4.37 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 120.986 0.422 . . . . 74.24 111.558 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -162.84 165.69 25.0 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.958 0.903 . . . . 74.3 110.41 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -151.4 97.01 2.35 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.581 0.752 . . . . 65.41 109.066 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -124.6 133.39 53.28 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.266 0.626 . . . . 75.13 111.426 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -140.62 124.09 16.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.923 0.889 . . . . 64.44 110.078 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -141.99 115.72 9.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.862 0.865 . . . . 74.2 109.845 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -116.75 4.96 13.06 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.763 0.825 . . . . 71.3 110.751 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.4 mtt -81.31 170.57 15.87 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.904 0.882 . . . . 72.34 112.4 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.41 -85.18 0.06 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.021 -0.832 . . . . 73.32 111.021 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.28 14.52 61.96 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 115.358 0.903 . . . . 74.11 115.358 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.4 -146.03 19.83 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 114.091 0.397 . . . . 73.34 114.091 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -125.34 163.95 21.44 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.626 0.77 . . . . 75.43 111.121 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -126.06 64.42 0.57 Allowed Glycine 0 CA--C 1.543 1.841 0 CA-C-O 119.238 -0.757 . . . . 61.04 113.12 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -92.33 -169.69 0.27 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.885 2.39 . . . . 73.54 113.619 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HA ' HD22 ' B' ' 30' ' ' ASN . . . -81.1 -53.01 6.77 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.511 -0.768 . . . . 73.14 110.976 173.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.46 176.02 0.19 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 73.13 112.608 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.46 173.13 11.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.329 0.652 . . . . 72.4 110.504 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -165.23 164.63 12.47 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 123.926 0.89 . . . . 75.24 110.645 -172.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -71.08 17.7 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 C-N-CA 122.77 2.314 . . . . 60.1 114.431 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt 67.1 -171.15 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.741 1.616 . . . . 72.4 112.618 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.7 ' HB3' ' HA ' ' A' ' 27' ' ' ASP . 69.4 m -79.12 114.1 17.79 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.7 0.8 . . . . 72.25 110.956 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.18 -54.26 7.07 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.641 0.776 . . . . 75.42 110.248 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.59 37.99 4.29 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.477 -0.935 . . . . 73.43 108.477 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.7 ' HA ' ' HB3' ' A' ' 24' ' ' SER . 71.9 m-20 53.63 49.84 18.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.064 0.946 . . . . 65.35 111.436 -172.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.73 -39.99 74.91 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.583 1.153 . . . . 71.33 112.916 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.504 ' HB3' HG23 ' B' ' 52' ' ' VAL . 2.4 ptp -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.867 -0.606 . . . . 55.33 112.325 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.26 -36.0 82.78 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.373 0.669 . . . . 73.34 111.071 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -66.5 -38.49 87.35 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 122.641 0.376 . . . . 72.41 110.752 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.08 -31.43 71.05 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.553 0.741 . . . . 73.13 112.078 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -66.59 -39.46 88.42 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.011 0.924 . . . . 71.31 111.627 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -59.94 -45.67 91.88 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 73.5 110.501 171.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' B' ' 59' ' ' ILE . 15.5 ttt180 -64.11 -33.53 75.98 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.336 1.054 . . . . 74.24 112.393 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD13 HD22 ' B' ' 55' ' ' LEU . 86.4 mt -59.9 -56.78 17.53 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.974 0.51 . . . . 74.25 110.194 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' HD11 ' A' ' 54' ' ' ILE . 32.6 mtp180 -57.75 -21.54 41.89 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.247 1.019 . . . . 74.01 113.342 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -82.69 -29.39 29.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.756 0.822 . . . . 75.52 111.586 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.9 -8.89 24.94 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.889 0.876 . . . . 73.4 112.397 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG22 HG21 ' A' ' 58' ' ' VAL . 60.1 t -114.46 104.5 54.48 Favored Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 123.472 0.709 . . . . 73.43 110.935 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.24 -178.02 3.92 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.501 2.134 . . . . 73.11 112.606 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.43 89.91 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 116.257 -0.429 . . . . 72.24 113.339 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -82.36 116.15 62.04 Favored Pre-proline 0 CA--C 1.556 1.195 0 C-N-CA 123.771 0.828 . . . . 74.31 109.003 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.35 136.51 55.61 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.821 2.347 . . . . 73.21 112.435 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -67.74 114.23 6.17 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.727 0.811 . . . . 74.04 112.102 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.36 4.02 66.62 Favored Glycine 0 N--CA 1.474 1.207 0 CA-C-N 116.135 -0.484 . . . . 62.43 113.859 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.0 m -94.09 132.66 38.37 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.464 0.705 . . . . 71.43 110.53 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.28 -46.51 64.17 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.328 0.651 . . . . 65.14 111.479 -175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt 62.42 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.063 1.345 . . . . 63.41 113.03 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -67.01 151.04 48.39 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.09 -0.504 . . . . 72.53 110.548 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.0 -37.82 72.21 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.605 0.762 . . . . 73.41 112.867 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.14 -38.81 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.558 0.343 . . . . 74.31 111.094 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -36.58 77.57 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.173 0.589 . . . . 71.1 110.384 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 HD11 ' HD2' ' A' ' 37' ' ' ARG . 59.3 mt -63.89 -41.47 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 C-N-CA 123.068 0.547 . . . . 72.2 111.076 175.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 122.823 0.449 . . . . 75.32 111.689 173.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -68.71 -33.61 74.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.205 1.002 . . . . 73.32 111.74 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -61.27 -43.07 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.659 0.784 . . . . 72.23 110.606 170.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 HG21 HG22 ' A' ' 40' ' ' VAL . 96.7 t -64.02 -46.02 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.465 0.706 . . . . 75.11 111.223 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.26 -48.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.41 0.684 . . . . 75.45 110.713 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.1 -36.64 82.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.271 1.028 . . . . 73.2 111.232 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.75 -45.58 92.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.056 0.942 . . . . 75.24 111.508 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' B' ' 39' ' ' LEU . 60.5 mt -67.79 -36.91 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 116.294 -0.412 . . . . 73.23 110.61 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.98 -30.36 71.34 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.354 0.662 . . . . 74.35 111.696 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.11 -32.57 72.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.874 0.87 . . . . 71.32 111.145 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.94 -41.12 60.25 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.621 0.768 . . . . 72.51 111.686 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 15.0 mm100 -76.24 -67.31 0.7 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.992 0.917 . . . . 75.54 111.469 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.93 120.78 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.57 0.748 . . . . 73.41 110.95 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 CA--C 1.562 1.428 0 C-N-CA 123.524 0.729 . . . . 63.3 109.986 174.406 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.69 -0.115 . . . . 74.3 110.69 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.43 -162.24 39.75 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 123.209 0.318 . . . . 72.13 113.734 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -158.83 118.58 3.12 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.979 0.912 . . . . 74.41 110.172 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -85.41 112.88 21.26 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.067 0.547 . . . . 75.13 109.762 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -92.28 137.48 32.33 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.114 0.566 . . . . 71.41 111.069 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -124.56 114.94 20.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.933 0.893 . . . . 74.11 111.013 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -87.54 151.69 22.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.634 0.774 . . . . 74.23 109.244 172.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -144.52 167.7 21.89 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.436 0.636 . . . . 63.24 112.271 -173.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -120.97 36.91 4.46 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.646 1.178 . . . . 74.35 110.369 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -85.29 153.13 22.79 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 122.912 0.485 . . . . 71.31 111.806 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.87 146.45 52.13 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.97 . . . . 74.22 110.186 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.5 54.87 5.3 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 122.833 0.254 . . . . 73.45 113.247 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.51 8.19 30.33 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 114.583 0.593 . . . . 72.32 114.583 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.19 161.7 25.75 Favored Glycine 0 N--CA 1.474 1.193 0 CA-C-N 116.813 0.307 . . . . 70.14 112.897 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -75.29 -38.44 60.35 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.176 0.59 . . . . 75.15 112.115 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.69 -165.89 25.21 Favored Glycine 0 CA--C 1.54 1.6 0 CA-C-O 119.448 -0.64 . . . . 63.33 112.548 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.88 108.73 1.89 Allowed 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.858 2.372 . . . . 73.23 113.65 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.51 -16.28 58.8 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.72 0.408 . . . . 60.44 111.721 171.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.2 157.28 21.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.603 0.761 . . . . 54.41 111.49 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -144.9 -175.07 4.53 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 74.44 111.019 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -129.25 153.95 80.52 Favored Pre-proline 0 N--CA 1.495 1.786 0 C-N-CA 123.379 0.671 . . . . 73.54 111.755 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.21 -175.74 2.7 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.602 2.201 . . . . 72.32 113.052 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.04 -44.23 97.71 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.207 0.603 . . . . 73.13 112.148 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.1 m -143.97 -88.19 0.12 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.984 0.514 . . . . 75.55 109.73 175.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 73.0 mt -136.47 133.69 36.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.971 0.909 . . . . 75.43 110.09 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 tt -169.68 -60.12 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 105.789 -1.93 . . . . 65.31 105.789 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.71 72.29 0.53 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.43 -1.259 . . . . 63.12 112.068 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.43 -27.75 68.78 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.595 -1.184 . . . . 73.33 110.874 176.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -55.35 30.31 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.634 0.774 . . . . 73.44 110.608 171.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.533 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 29.1 t-20 -64.47 -27.44 68.99 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.007 0.923 . . . . 75.34 111.906 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.87 -54.99 30.82 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.836 0.855 . . . . 75.14 110.643 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.11 -31.6 62.86 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.303 -0.862 . . . . 74.34 112.17 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 11.8 m-85 -61.3 -41.94 97.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.604 0.762 . . . . 73.34 112.176 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -62.66 -45.62 91.99 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.147 0.579 . . . . 73.14 110.188 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -30.85 71.91 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 124.175 0.99 . . . . 71.12 111.655 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.469 ' O ' HG23 ' B' ' 40' ' ' VAL . 79.6 mt -63.04 -50.31 71.13 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.676 0.39 . . . . 73.54 110.142 170.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -55.48 -25.95 39.75 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.601 0.76 . . . . 75.13 112.59 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -76.35 -38.56 55.68 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.247 0.546 . . . . 74.44 110.454 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.497 ' HB3' HG23 ' A' ' 62' ' ' ILE . 96.9 mt -87.44 -16.09 35.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.81 0.844 . . . . 74.23 113.148 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 36' ' ' LEU . 60.6 t -94.34 107.81 31.91 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 123.03 0.532 . . . . 74.35 111.217 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.47 7.57 4.7 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.464 2.776 . . . . 74.24 113.25 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.07 35.53 3.77 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 123.066 0.365 . . . . 73.42 113.162 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.69 101.98 39.38 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.521 0.729 . . . . 75.45 109.948 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.69 153.01 79.47 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.031 2.487 . . . . 74.53 112.629 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.32 100.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.499 1.119 . . . . 72.1 113.743 -171.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.19 -6.16 63.57 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.546 -0.752 . . . . 72.25 114.359 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 55.9 m -69.83 102.63 1.99 Allowed 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.725 0.762 . . . . 74.52 110.675 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -75.09 96.92 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.589 0.755 . . . . 74.44 110.231 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.86 133.66 44.52 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.761 -0.654 . . . . 70.13 111.195 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.5 p -89.93 -174.63 4.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.316 0.646 . . . . 70.12 110.377 171.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.8 -43.01 90.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.405 0.682 . . . . 75.22 112.834 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' A' ' 29' ' ' MET . 24.9 t -70.62 -38.32 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.816 0.446 . . . . 73.41 111.072 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.501 ' HA ' HE21 ' B' ' 56' ' ' GLN . 33.9 mm-40 -55.8 -39.06 70.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.77 0.828 . . . . 73.31 111.896 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.09 -54.89 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.82 0.848 . . . . 75.23 111.302 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.757 HD22 HD13 ' A' ' 36' ' ' LEU . 86.5 mt -56.14 -46.18 79.33 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.757 0.823 . . . . 75.34 111.636 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.501 HE21 ' HA ' ' B' ' 53' ' ' GLU . 20.3 mt-30 -63.73 -41.66 98.02 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.921 -1.036 . . . . 75.2 112.187 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -65.62 -36.94 85.18 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.058 0.943 . . . . 75.02 111.749 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.426 HG12 HG11 ' A' ' 58' ' ' VAL . 68.3 t -61.62 -48.97 86.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 CA-C-N 115.677 -0.692 . . . . 71.55 110.635 173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.531 HD11 ' HD3' ' A' ' 35' ' ' ARG . 89.8 mt -55.79 -48.93 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.361 0.664 . . . . 74.13 110.938 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.66 -48.09 75.62 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.607 0.763 . . . . 73.52 111.904 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -56.63 -48.04 78.37 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.079 0.952 . . . . 71.53 112.066 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.98 -37.4 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 115.652 -0.704 . . . . 74.43 111.496 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.21 -41.71 84.62 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.375 0.88 . . . . 74.42 113.375 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.09 -30.87 71.02 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.09 0.556 . . . . 74.22 112.157 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.93 -32.65 45.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.909 0.484 . . . . 74.32 111.447 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -99.64 -179.75 4.29 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.641 1.176 . . . . 71.44 111.676 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -94.48 126.63 46.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.2 0.6 . . . . 72.54 109.478 168.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.562 1.427 0 C-N-CA 123.451 0.701 . . . . 74.5 110.503 -175.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.7 mtp . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.282 0.086 . . . . 74.53 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.76 45.75 10.37 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 114.155 0.422 . . . . 63.3 114.155 173.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -83.81 100.91 11.25 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.54 . . . . 70.52 109.581 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -126.01 -28.66 3.15 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.367 0.667 . . . . 75.12 112.682 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -61.02 103.95 0.32 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.929 0.715 . . . . 61.4 112.929 -173.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -84.67 88.33 7.35 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.79 0.836 . . . . 75.13 109.313 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -148.75 102.75 3.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.667 0.787 . . . . 75.53 109.113 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -114.13 5.85 16.12 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.865 0.866 . . . . 74.12 111.97 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.2 p -113.02 147.68 36.69 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.757 0.823 . . . . 62.44 111.605 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -153.04 101.02 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.587 0.755 . . . . 71.05 109.852 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt -137.18 125.52 23.32 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.511 0.724 . . . . 71.13 110.225 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.56 -158.34 24.96 Favored Glycine 0 N--CA 1.473 1.115 0 C-N-CA 123.124 0.393 . . . . 73.12 112.495 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.39 164.26 21.57 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 113.825 0.29 . . . . 71.12 113.825 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.74 36.69 75.48 Favored Glycine 0 CA--C 1.536 1.346 0 O-C-N 122.834 -0.216 . . . . 72.23 113.552 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -81.56 97.09 7.67 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.329 0.652 . . . . 75.21 110.543 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.94 152.53 36.85 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-O 119.517 -0.602 . . . . 55.42 113.499 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -64.27 151.15 86.59 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.021 2.481 . . . . 73.32 113.364 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.17 83.35 2.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.425 0.631 . . . . 64.41 110.493 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.38 0.79 31.64 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.066 0.546 . . . . 63.41 111.972 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -130.12 158.62 39.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.216 1.006 . . . . 74.24 110.334 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.66 144.38 28.5 Favored Pre-proline 0 N--CA 1.482 1.169 0 N-CA-C 108.556 -0.905 . . . . 75.22 108.556 163.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.55 ' HB2' ' HA3' ' B' ' 14' ' ' GLY . 34.8 Cg_exo -63.2 97.87 0.2 Allowed 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 122.293 1.995 . . . . 75.21 112.631 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.13 129.66 39.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.417 -0.356 . . . . 74.1 110.167 172.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.4 p -70.05 77.49 0.5 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.585 0.754 . . . . 74.23 111.747 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tt -179.46 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.306 1.442 . . . . 75.22 108.172 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 27' ' ' ASP . 8.2 tt -68.82 155.86 39.44 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.492 1.117 . . . . 72.31 110.13 175.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' HD22 ' A' ' 26' ' ' LEU . 5.9 m-20 -73.99 54.27 0.51 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.245 1.018 . . . . 62.13 112.362 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.07 -31.97 73.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.601 0.76 . . . . 63.25 111.186 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.61 ' HG2' HG22 ' B' ' 52' ' ' VAL . 36.8 mtp -57.75 -41.21 81.44 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.617 -0.72 . . . . 75.12 111.178 175.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.49 -36.53 82.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.965 0.906 . . . . 75.03 111.238 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -64.64 -41.54 96.07 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.962 0.505 . . . . 74.54 110.661 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.3 m -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.381 0.672 . . . . 70.15 111.746 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.83 -34.66 78.29 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.954 0.902 . . . . 73.51 112.094 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -64.54 -38.89 92.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.913 0.485 . . . . 71.4 111.033 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -75.17 -27.74 59.78 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 113.502 0.927 . . . . 75.3 113.502 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 40' ' ' VAL . 90.3 mt -61.77 -46.67 88.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.58 -0.526 . . . . 71.23 109.58 169.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -56.76 -30.3 63.45 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.484 0.714 . . . . 65.14 112.833 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.01 -34.65 75.61 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.252 0.549 . . . . 74.45 111.196 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD21 HE22 ' B' ' 66' ' ' GLN . 78.6 mt -99.5 -2.23 36.44 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.344 0.868 . . . . 63.34 113.344 -170.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 36' ' ' LEU . 43.1 t -111.43 103.88 55.51 Favored Pre-proline 0 N--CA 1.493 1.718 0 CA-C-N 118.08 0.4 . . . . 64.33 111.83 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -79.64 -4.75 13.71 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 123.08 2.52 . . . . 62.11 113.081 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.99 14.59 19.59 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.411 0.525 . . . . 73.0 114.411 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.85 127.71 63.77 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 123.81 0.844 . . . . 74.4 110.147 172.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.99 170.81 13.51 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.44 2.093 . . . . 61.33 113.219 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -71.67 -32.41 67.85 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.852 0.461 . . . . 73.12 110.769 171.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.95 -156.52 32.76 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.213 -0.449 . . . . 64.43 112.258 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 m 66.33 102.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.645 1.178 . . . . 74.43 111.993 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.74 108.76 3.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.997 0.519 . . . . 74.11 109.931 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.38 97.17 2.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 121.112 0.482 . . . . 73.1 111.626 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.2 m -73.78 161.72 29.91 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.167 -0.679 . . . . 74.24 109.167 165.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -49.16 -38.06 24.32 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.38 0.881 . . . . 73.21 113.38 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.595 HG13 HE21 ' A' ' 56' ' ' GLN . 21.7 t -72.92 -43.63 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.15 0.58 . . . . 73.33 111.255 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.1 -34.14 74.48 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.902 0.881 . . . . 73.03 112.069 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 58' ' ' VAL . 93.8 mt -59.71 -50.68 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.581 0.753 . . . . 60.04 110.691 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD21 HD13 ' B' ' 36' ' ' LEU . 57.0 mt -57.22 -43.58 82.99 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.419 0.45 . . . . 72.35 111.517 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.595 HE21 HG13 ' A' ' 52' ' ' VAL . 76.2 mt-30 -59.31 -39.83 84.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 73.42 111.884 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.47 -38.75 92.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.798 0.439 . . . . 75.25 111.587 175.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 62' ' ' ILE . 59.2 t -68.98 -44.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.086 0.554 . . . . 74.34 111.84 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.67 -50.46 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.751 0.82 . . . . 74.44 111.254 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.23 -36.78 85.18 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.601 0.761 . . . . 74.12 112.104 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.29 -48.03 79.96 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.336 0.654 . . . . 74.54 111.515 173.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 58' ' ' VAL . 73.3 mt -66.0 -29.27 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 123.243 0.617 . . . . 72.12 110.956 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.94 -32.04 71.36 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.963 0.505 . . . . 73.35 112.213 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.21 -30.73 70.73 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.233 0.539 . . . . 75.1 111.386 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.8 mt -80.98 -45.86 15.98 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.761 -0.654 . . . . 74.44 111.011 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.49 97.06 8.22 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.524 0.678 . . . . 63.24 110.286 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.36 92.38 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-N 115.326 -0.852 . . . . 72.04 109.707 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.568 1.673 0 CA-C-N 115.777 -0.647 . . . . 72.2 111.799 177.023 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.491 ' SD ' ' HB3' ' B' ' 3' ' ' HIS . 17.8 tmm? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.4 -0.593 . . . . 75.34 109.4 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.07 66.55 3.85 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 114.147 0.419 . . . . 74.31 114.147 -173.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.491 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 83.7 t60 -166.76 164.14 16.55 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.208 1.003 . . . . 73.35 109.514 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -153.53 157.35 39.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.495 0.718 . . . . 72.34 110.336 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -105.89 31.66 4.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.646 0.736 . . . . 72.15 109.412 174.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.4 t60 62.25 81.54 0.2 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.467 1.107 . . . . 71.2 109.839 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -81.07 129.91 34.77 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.765 -0.652 . . . . 74.52 110.371 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -84.09 32.12 0.49 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.033 0.933 . . . . 73.44 111.773 -174.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 m -86.81 52.7 2.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.239 1.016 . . . . 64.4 111.403 -177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -63.31 92.88 0.06 Allowed 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.621 0.768 . . . . 64.24 110.683 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 57.4 mtt -65.6 -52.11 54.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.121 0.968 . . . . 74.04 112.781 -169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.08 45.01 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 116.15 -0.477 . . . . 64.54 112.549 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.1 58.43 2.21 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 112.257 -0.337 . . . . 71.51 112.257 -174.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HB2' ' A' ' 22' ' ' PRO . . . -144.45 82.66 0.21 Allowed Glycine 0 N--CA 1.472 1.055 0 N-CA-C 112.183 -0.367 . . . . 71.31 112.183 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -122.63 175.44 6.49 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.877 0.871 . . . . 74.13 110.639 -175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.59 -151.71 6.57 Favored Glycine 0 N--CA 1.473 1.142 0 CA-C-O 118.864 -0.964 . . . . 42.33 112.014 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.72 110.62 1.14 Allowed 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.542 2.161 . . . . 74.31 111.342 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 89.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.639 0.776 . . . . 64.53 112.383 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 164.35 15.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.734 0.814 . . . . 74.34 111.591 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -147.06 139.21 24.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.139 0.576 . . . . 71.12 110.911 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.79 142.6 56.95 Favored Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 123.363 0.665 . . . . 71.43 110.081 172.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.6 9.47 2.23 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.965 2.443 . . . . 73.21 115.943 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt 55.02 99.65 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.533 1.533 . . . . 72.25 113.812 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -132.41 141.81 49.02 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.264 0.626 . . . . 75.44 109.785 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mp 61.67 -163.42 0.26 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.726 0.81 . . . . 73.03 109.844 -167.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.89 96.76 10.57 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.678 -0.639 . . . . 75.14 110.578 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.62 84.11 0.86 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.391 -0.822 . . . . 73.54 109.979 175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.25 -26.05 65.49 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.246 0.618 . . . . 74.14 111.844 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -54.14 41.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.831 0.852 . . . . 73.32 110.752 167.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -76.01 -26.62 56.85 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.535 -1.211 . . . . 71.41 111.969 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -70.5 -39.95 73.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.661 0.784 . . . . 62.43 109.94 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.81 -37.28 87.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.448 0.699 . . . . 75.54 111.327 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -62.5 -37.09 84.68 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.102 0.561 . . . . 74.24 111.869 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 67.5 m -68.26 -33.97 75.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.181 0.592 . . . . 72.54 111.118 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -72.83 -32.67 65.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.751 0.82 . . . . 71.54 112.518 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.672 HD13 HD21 ' A' ' 55' ' ' LEU . 96.9 mt -64.5 -45.39 87.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.933 0.493 . . . . 74.14 109.849 169.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.401 ' HE ' HG12 ' B' ' 43' ' ' VAL . 15.6 tpt180 -56.08 -25.18 44.3 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.984 0.914 . . . . 74.22 112.105 176.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.0 mm-40 -76.21 -40.34 52.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.301 0.64 . . . . 74.41 111.329 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.405 ' HB3' HG22 ' A' ' 62' ' ' ILE . 94.8 mt -95.89 -7.86 35.59 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 114.077 1.14 . . . . 74.11 114.077 -170.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 36' ' ' LEU . 40.8 t -107.34 101.9 41.18 Favored Pre-proline 0 N--CA 1.491 1.597 0 CA-C-N 118.22 0.464 . . . . 73.54 111.774 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.442 ' HD2' ' CE1' ' B' ' 61' ' ' TYR . 91.7 Cg_endo -75.05 -7.0 18.73 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.206 2.604 . . . . 71.44 112.303 168.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.85 -15.43 60.1 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-N 116.099 -0.501 . . . . 73.01 113.436 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.401 HG12 ' HE ' ' B' ' 37' ' ' ARG . 92.6 t -65.12 120.89 70.99 Favored Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 123.321 0.648 . . . . 73.33 109.691 170.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.39 94.1 0.36 Allowed 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.56 2.173 . . . . 75.41 112.824 -172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 56.74 -83.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.454 1.501 . . . . 73.52 112.004 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.8 -92.12 1.66 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 110.669 -0.973 . . . . 64.31 110.669 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.4 m 55.19 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.226 1.41 . . . . 73.05 113.962 169.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.31 109.72 1.67 Allowed 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.609 0.719 . . . . 72.32 111.483 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.39 176.41 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.792 0.837 . . . . 74.23 112.161 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.1 t -98.57 169.24 9.65 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.527 0.731 . . . . 73.05 110.719 172.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.37 -42.3 98.85 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.379 0.672 . . . . 74.2 111.391 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' A' ' 29' ' ' MET . 8.1 t -71.07 -37.81 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.081 -0.509 . . . . 75.32 110.824 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.59 -45.01 77.48 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.066 0.946 . . . . 74.42 111.728 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.56 -49.56 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.543 0.527 . . . . 75.44 110.801 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.56 -51.97 61.21 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.811 0.671 . . . . 74.44 112.811 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.41 -34.58 76.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.558 0.743 . . . . 73.31 112.04 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -73.73 -28.64 61.8 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.396 0.678 . . . . 74.03 111.845 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.494 HG23 HD11 ' B' ' 36' ' ' LEU . 55.6 t -73.42 -42.01 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.171 0.588 . . . . 64.05 110.382 174.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 79.3 mt -56.08 -52.6 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 109.721 -0.474 . . . . 72.43 109.721 171.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.85 -33.59 73.29 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.509 1.124 . . . . 75.31 112.298 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' B' ' 41' ' ' PRO . 54.3 t80 -62.73 -49.72 73.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.717 0.807 . . . . 73.04 111.047 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 39' ' ' LEU . 69.3 mt -65.17 -38.4 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 122.959 0.503 . . . . 70.14 110.692 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 89.4 mt -67.93 -29.61 68.71 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.706 0.802 . . . . 64.25 111.39 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.71 -34.81 76.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.395 0.678 . . . . 73.55 111.087 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 70.1 mt -72.75 -36.2 67.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.498 0.719 . . . . 61.44 111.091 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.612 HE22 HD21 ' A' ' 39' ' ' LEU . 18.5 mt-30 -89.75 165.84 13.93 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.217 1.007 . . . . 70.23 112.244 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.89 100.72 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.136 0.574 . . . . 71.43 110.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.492 1.671 0 C-N-CA 123.528 0.731 . . . . 73.53 112.765 -177.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.628 -0.138 . . . . 74.02 110.628 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.37 86.33 0.07 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 112.396 -0.282 . . . . 75.11 112.396 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -147.89 154.83 40.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.36 0.664 . . . . 73.23 111.929 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -105.87 144.78 32.12 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.806 0.842 . . . . 63.22 110.498 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -75.06 171.8 13.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.379 1.071 . . . . 63.11 111.987 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -143.69 133.8 24.29 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.243 0.617 . . . . 75.41 111.301 -176.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -98.49 144.1 28.19 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.258 1.023 . . . . 73.12 110.368 174.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -155.87 94.98 1.6 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.865 0.866 . . . . 75.44 110.584 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -144.7 118.74 9.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.703 0.801 . . . . 72.33 110.454 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -148.61 96.51 2.6 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.122 0.569 . . . . 70.24 110.309 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.563 ' HG2' ' HD3' ' B' ' 45' ' ' ARG . 28.0 ttt -161.42 97.94 1.12 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.437 0.695 . . . . 71.04 110.372 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.02 -163.2 13.5 Favored Glycine 0 N--CA 1.473 1.129 0 CA-C-N 116.097 -0.501 . . . . 71.34 112.444 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.66 137.38 1.57 Allowed Glycine 0 N--CA 1.478 1.468 0 N-CA-C 113.96 0.344 . . . . 74.31 113.96 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.55 -170.71 38.2 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-O 121.124 0.291 . . . . 64.3 113.616 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -124.36 122.74 38.54 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.647 1.179 . . . . 75.5 110.441 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.24 -174.02 17.05 Favored Glycine 0 N--CA 1.478 1.489 0 CA-C-O 119.771 -0.461 . . . . 71.32 113.299 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.96 114.77 4.1 Favored 'Trans proline' 0 CA--C 1.56 1.782 0 C-N-CA 122.621 2.214 . . . . 73.45 111.636 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.1 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.046 0.938 . . . . 54.32 112.732 -173.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.21 93.06 8.95 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.812 0.845 . . . . 73.15 110.751 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.681 ' HG2' ' HA ' ' B' ' 50' ' ' SER . 29.3 mt-10 -130.3 158.64 39.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.605 0.762 . . . . 64.0 111.805 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -147.71 147.53 27.7 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 123.833 0.853 . . . . 75.44 109.362 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.09 -176.29 3.17 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.69 2.26 . . . . 64.25 113.624 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.05 94.15 0.32 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.465 0.706 . . . . 73.33 110.489 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -130.06 -49.35 1.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.725 0.81 . . . . 72.01 110.557 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' H ' HD21 ' A' ' 25' ' ' LEU . 2.7 pt? -79.45 -177.52 5.81 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.121 0.969 . . . . 73.12 112.16 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.87 144.04 52.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.726 0.81 . . . . 74.41 110.557 176.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.45 90.25 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.447 1.099 . . . . 72.43 113.755 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.6 -31.04 41.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.724 0.809 . . . . 74.43 109.014 162.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.634 ' HG2' HG22 ' B' ' 52' ' ' VAL . 21.6 mtp -54.81 -52.11 63.7 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.539 1.136 . . . . 71.04 112.47 -176.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -66.55 -31.12 71.63 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.107 0.963 . . . . 73.14 112.693 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.73 -40.83 69.16 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.737 0.415 . . . . 65.12 110.987 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 92.8 m -62.03 -41.54 98.2 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.028 0.531 . . . . 72.31 111.381 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.32 -39.13 92.02 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.957 0.903 . . . . 74.22 112.038 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.3 m -63.65 -46.36 85.97 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.072 0.549 . . . . 73.15 110.66 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.618 ' HE ' HG23 ' B' ' 59' ' ' ILE . 22.9 ttp180 -63.31 -31.66 72.87 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.203 1.001 . . . . 72.31 111.89 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD12 HG21 ' A' ' 58' ' ' VAL . 98.0 mt -65.83 -55.83 15.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.486 0.714 . . . . 70.33 110.185 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -53.76 -24.79 16.22 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.662 0.986 . . . . 74.52 113.662 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.29 -32.41 29.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.758 0.823 . . . . 71.33 111.239 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -95.58 -12.5 25.58 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.671 0.788 . . . . 74.44 112.394 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 61' ' ' TYR . 97.9 t -100.58 106.65 44.4 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 123.861 0.865 . . . . 74.04 111.183 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.45 -3.39 13.83 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.817 2.345 . . . . 73.4 113.079 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 -21.14 72.43 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 123.131 0.396 . . . . 43.3 113.691 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.67 110.32 8.71 Favored Pre-proline 0 CA--C 1.566 1.573 0 C-N-CA 123.645 0.778 . . . . 75.34 110.163 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.4 2.31 1.59 Allowed 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.645 2.897 . . . . 74.14 116.314 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 69.93 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.321 1.448 . . . . 72.52 111.645 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.88 -75.32 1.88 Allowed Glycine 0 CA--C 1.535 1.309 0 N-CA-C 110.812 -0.915 . . . . 63.4 110.812 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t 47.79 -60.77 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 118.632 2.827 . . . . 73.02 118.632 164.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 87.12 90.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.027 2.131 . . . . 75.44 109.462 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -128.55 127.67 42.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.54 1.136 . . . . 72.34 109.509 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.9 m -85.95 178.31 7.31 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.233 0.613 . . . . 72.54 111.111 175.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -49.24 -45.57 44.84 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 124.245 1.018 . . . . 75.41 113.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.613 HG23 ' HB2' ' B' ' 29' ' ' MET . 47.9 t -69.63 -40.85 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.787 0.835 . . . . 74.31 111.507 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.99 -26.77 62.37 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.52 0.728 . . . . 62.31 112.672 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 58' ' ' VAL . 76.3 mt -63.85 -47.02 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 109.703 -0.48 . . . . 75.55 109.703 171.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 98.3 mt -54.96 -41.05 70.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.971 0.908 . . . . 71.31 112.669 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -58.98 -41.77 88.39 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.605 0.762 . . . . 72.02 111.563 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -69.79 -31.54 69.52 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.445 0.698 . . . . 74.11 112.118 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.616 HG21 HD12 ' A' ' 36' ' ' LEU . 93.2 t -66.45 -37.33 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.173 0.589 . . . . 75.4 110.744 175.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.588 HD13 ' HA ' ' B' ' 32' ' ' CYS . 77.7 mt -62.88 -50.0 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 116.067 -0.515 . . . . 71.33 109.86 170.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -52.82 -41.78 64.52 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.831 0.852 . . . . 64.01 111.864 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.487 ' HE2' HG12 ' B' ' 62' ' ' ILE . 52.1 t80 -56.26 -51.37 68.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.634 0.774 . . . . 71.52 111.428 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.697 HG23 ' HB3' ' B' ' 39' ' ' LEU . 32.8 mt -68.94 -32.25 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.946 -0.57 . . . . 74.51 110.792 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.5 mt -64.2 -37.34 87.12 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.071 0.548 . . . . 73.44 111.311 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -66.87 -33.23 75.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.379 0.672 . . . . 71.24 111.71 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.46 -41.87 75.66 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.841 0.456 . . . . 73.13 111.78 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 14.7 mm100 -77.87 -66.1 0.88 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.701 0.8 . . . . 73.35 111.681 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.8 t -103.95 143.1 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 123.915 0.886 . . . . 65.15 111.01 -171.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.547 0.739 . . . . 75.23 110.906 178.309 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.517 0.199 . . . . 73.32 110.908 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.26 130.36 1.44 Allowed Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.516 -0.311 . . . . 62.23 112.708 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -100.19 118.42 36.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.068 0.547 . . . . 74.12 111.099 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -87.71 81.57 7.61 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.355 -0.98 . . . . 75.25 108.355 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -128.67 -45.98 1.3 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.256 -0.884 . . . . 73.14 109.785 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -73.03 114.56 11.32 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.172 0.589 . . . . 63.44 110.678 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -158.22 121.75 3.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.333 1.053 . . . . 65.21 109.078 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -87.79 128.06 35.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.047 0.539 . . . . 73.33 111.138 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -116.54 -168.16 1.4 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.191 0.996 . . . . 64.54 110.451 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -65.32 139.82 58.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 112.428 0.529 . . . . 62.33 112.428 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.9 173.09 12.73 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.515 1.126 . . . . 75.5 110.796 -178.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.86 53.11 21.02 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.435 -0.348 . . . . 62.34 113.496 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.77 127.58 25.54 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-O 120.279 -0.178 . . . . 75.45 113.494 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.18 -42.44 1.93 Allowed Glycine 0 C--N 1.352 1.431 0 CA-C-O 119.82 -0.433 . . . . 63.34 113.101 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 67.69 125.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.156 1.382 . . . . 74.33 112.628 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.64 -164.8 26.96 Favored Glycine 0 CA--C 1.546 2.018 0 N-CA-C 114.662 0.625 . . . . 73.44 114.662 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.92 55.24 5.56 Favored 'Trans proline' 0 CA--C 1.562 1.901 0 C-N-CA 123.537 2.825 . . . . 72.4 113.609 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.6 74.55 5.13 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.479 0.657 . . . . 62.42 110.872 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.74 -54.21 4.67 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.745 0.818 . . . . 72.31 110.817 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.99 177.29 5.75 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.523 1.129 . . . . 65.35 112.407 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.46 159.3 81.81 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 124.047 0.939 . . . . 75.31 111.914 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.93 98.87 0.14 Allowed 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 122.733 2.289 . . . . 71.52 112.754 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.48 114.41 23.21 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.623 0.769 . . . . 75.55 111.762 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -140.61 -77.64 0.3 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.592 0.757 . . . . 64.02 110.299 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -174.98 169.27 3.42 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.539 0.735 . . . . 73.12 110.134 -171.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 tt -66.46 141.61 57.85 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.294 -0.632 . . . . 74.24 109.294 165.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.46 73.25 1.39 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.354 0.662 . . . . 74.25 112.197 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.34 -32.16 64.39 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.603 -0.726 . . . . 74.1 109.1 173.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.613 ' HB2' HG23 ' A' ' 52' ' ' VAL . 17.0 ttm -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.2 1.0 . . . . 75.45 111.831 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.92 -32.35 71.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.453 0.301 . . . . 75.34 111.324 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -60.02 -46.02 90.85 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.461 0.705 . . . . 72.44 110.589 172.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.588 ' HA ' HD13 ' A' ' 59' ' ' ILE . 94.9 m -61.72 -48.68 79.63 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.16 -0.927 . . . . 73.5 111.208 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -60.13 -32.59 71.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.326 1.05 . . . . 71.25 112.336 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -67.67 -48.27 67.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 74.2 110.795 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -58.37 -40.49 82.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.468 0.707 . . . . 74.22 112.367 173.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 32' ' ' CYS . 82.0 mt -61.53 -48.64 80.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.566 0.346 . . . . 75.13 110.246 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -59.11 -20.76 56.44 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.264 0.838 . . . . 61.14 113.264 175.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.39 -38.65 13.17 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.216 0.606 . . . . 64.54 111.137 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.697 ' HB3' HG23 ' A' ' 62' ' ' ILE . 98.6 mt -86.03 -12.18 50.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.741 0.816 . . . . 73.32 112.177 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.606 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.5 t -105.42 102.18 35.87 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 73.22 109.502 174.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -75.73 22.39 0.47 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.252 2.635 . . . . 75.22 114.094 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.42 5.23 48.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.585 -0.564 . . . . 62.2 114.305 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.46 120.99 82.23 Favored Pre-proline 0 N--CA 1.487 1.419 0 CA-C-N 117.716 0.758 . . . . 74.43 109.974 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.46 80.85 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 123.424 2.749 . . . . 74.15 115.275 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.563 ' HD3' ' HG2' ' A' ' 11' ' ' MET . 30.7 mmm180 49.88 25.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 116.276 1.954 . . . . 74.4 116.276 167.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.46 123.79 3.18 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 122.327 -0.233 . . . . 44.33 113.494 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -177.65 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 72.45 111.062 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 50.51 82.58 0.05 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.287 1.035 . . . . 75.53 110.627 -166.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -56.02 157.75 4.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.196 1.399 . . . . 73.43 114.047 -171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.681 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 33.0 t -66.15 156.73 33.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.311 -0.859 . . . . 72.24 111.103 169.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -46.97 -40.02 13.56 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.056 0.942 . . . . 75.24 112.726 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 29' ' ' MET . 11.2 t -71.29 -51.5 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.26 0.624 . . . . 71.53 111.124 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -56.96 -34.76 68.37 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.28 1.032 . . . . 72.42 112.741 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.37 -49.03 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.362 0.665 . . . . 74.53 110.626 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.408 HD23 HD11 ' A' ' 36' ' ' LEU . 87.6 mt -52.61 -46.18 66.91 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.402 0.681 . . . . 75.03 111.441 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.05 -45.54 84.95 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.961 -1.018 . . . . 74.51 111.362 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -29.89 70.92 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.382 0.673 . . . . 74.21 112.657 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.449 ' O ' HG13 ' B' ' 62' ' ' ILE . 72.8 t -64.29 -47.24 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 109.787 -0.449 . . . . 74.22 109.787 172.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.618 HG23 ' HE ' ' A' ' 35' ' ' ARG . 73.4 mt -62.79 -37.97 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 123.136 0.574 . . . . 72.15 110.857 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -67.35 -34.91 78.32 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.248 0.619 . . . . 71.15 111.589 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.606 ' HB2' HG13 ' B' ' 40' ' ' VAL . 52.8 t80 -59.97 -47.78 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.547 1.139 . . . . 74.12 110.635 173.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.487 HG12 ' HE2' ' A' ' 61' ' ' TYR . 61.4 mt -62.68 -49.98 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 123.71 0.804 . . . . 71.05 110.723 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -32.04 73.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.859 0.863 . . . . 75.32 112.164 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.03 -39.41 93.32 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.194 0.598 . . . . 62.35 110.817 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 83.0 mt -69.62 -44.76 70.03 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.484 0.714 . . . . 74.42 111.844 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.47 -51.69 33.68 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.977 0.911 . . . . 64.22 113.158 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.53 128.22 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.513 0.725 . . . . 75.4 111.904 -173.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 CA--C 1.566 1.592 0 C-N-CA 123.813 0.845 . . . . 62.21 109.989 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.266 0.079 . . . . 72.24 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.77 91.2 0.45 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.543 -0.623 . . . . 72.31 111.543 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -66.37 145.69 55.41 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.197 0.599 . . . . 72.43 111.621 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -102.53 103.82 14.19 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.404 0.681 . . . . 71.45 110.243 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -87.71 64.81 8.18 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.89 0.876 . . . . 74.2 111.435 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -82.84 88.46 6.78 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.917 0.487 . . . . 74.14 111.076 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -143.0 122.33 13.06 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.466 -0.939 . . . . 71.32 108.466 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.02 90.27 1.49 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.337 0.589 . . . . 74.13 110.765 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -100.58 85.44 2.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.657 0.783 . . . . 73.34 109.236 170.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -69.81 -63.37 1.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.633 0.373 . . . . 74.52 110.163 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 ttt 68.43 149.3 0.07 Allowed 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.073 1.349 . . . . 74.44 112.65 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.31 -166.1 26.87 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 114.302 0.481 . . . . 61.11 114.302 174.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.58 160.39 22.59 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 123.118 0.389 . . . . 73.11 112.45 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.83 -18.33 2.41 Favored Glycine 0 N--CA 1.481 1.645 0 CA-C-N 117.347 0.573 . . . . 73.11 114.513 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -108.7 -79.5 0.58 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.872 0.469 . . . . 74.31 110.825 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.11 126.34 0.14 Allowed Glycine 0 CA--C 1.546 2.01 0 CA-C-O 119.105 -0.83 . . . . 62.45 112.828 -173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.6 127.38 22.49 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.625 2.217 . . . . 72.32 112.175 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 93.94 0.09 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.593 0.757 . . . . 74.35 111.441 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.02 167.67 21.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.905 0.882 . . . . 74.23 111.023 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -145.22 115.02 7.33 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.498 0.719 . . . . 75.12 110.631 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 161.3 14.42 Favored Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 123.674 0.79 . . . . 72.32 110.851 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -58.62 160.51 17.15 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 123.063 2.508 . . . . 75.53 114.106 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.19 111.82 1.88 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.287 0.635 . . . . 73.11 111.725 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.1 p -159.48 144.98 15.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.503 1.121 . . . . 75.54 109.549 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.48 158.47 7.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.988 0.915 . . . . 62.44 112.008 -175.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tt 80.02 108.66 0.07 Allowed 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 126.102 1.761 . . . . 74.02 109.279 -165.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 54.51 22.99 4.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 73.43 112.862 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.58 -33.79 76.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.307 0.243 . . . . 74.4 110.834 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.406 ' HE2' HG23 ' B' ' 52' ' ' VAL . 34.3 ttm -61.82 -39.39 91.6 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.66 0.784 . . . . 75.43 111.792 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -63.58 -50.39 69.65 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.598 0.759 . . . . 72.32 110.814 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.06 -35.13 79.7 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.794 0.838 . . . . 73.44 112.074 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 m -66.47 -53.88 30.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.706 0.802 . . . . 63.32 111.317 175.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.72 -35.93 75.53 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.21 0.604 . . . . 74.33 112.512 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -63.35 -49.39 74.07 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.965 0.506 . . . . 74.35 111.011 175.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.81 -38.22 87.33 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.474 1.11 . . . . 72.15 112.016 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 58' ' ' VAL . 94.5 mt -62.14 -51.03 69.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.344 0.658 . . . . 71.3 110.727 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -56.71 -22.86 38.25 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.215 0.821 . . . . 72.24 113.215 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -87.91 -32.57 18.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.562 0.745 . . . . 63.31 111.275 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.7 -25.49 24.74 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.699 0.8 . . . . 75.34 112.13 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 57' ' ' ARG . 87.9 t -92.62 119.43 67.96 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.646 0.778 . . . . 75.14 111.725 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.14 173.6 13.68 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.092 2.528 . . . . 75.34 112.4 169.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.1 87.99 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 114.134 0.413 . . . . 74.4 114.134 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -90.56 110.76 43.47 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.739 0.815 . . . . 73.23 109.438 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.21 135.72 35.23 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.353 2.035 . . . . 72.23 112.229 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -65.76 -31.29 72.18 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.436 0.694 . . . . 73.02 112.085 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.82 24.9 15.43 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-O 120.052 -0.305 . . . . 61.32 113.501 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.1 m -140.04 103.88 4.72 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.556 0.742 . . . . 74.25 110.593 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.64 95.58 5.95 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.801 -0.444 . . . . 73.23 109.801 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD23 ' HB3' ' A' ' 53' ' ' GLU . 83.5 mt -63.74 129.28 39.45 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.888 -0.597 . . . . 73.32 110.596 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.8 m -80.3 -77.72 0.19 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.215 0.606 . . . . 54.05 112.545 -169.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.89 -73.68 0.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.375 0.67 . . . . 64.11 111.108 -174.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 HG22 ' HE1' ' B' ' 29' ' ' MET . 3.4 t -71.75 -32.61 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 115.856 -0.611 . . . . 73.23 110.86 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HB3' HD23 ' A' ' 49' ' ' LEU . 46.5 mt-10 -53.71 -43.82 69.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.951 0.901 . . . . 75.2 111.736 172.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 58' ' ' VAL . 58.6 mt -63.28 -50.05 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 122.968 0.507 . . . . 75.41 110.277 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 59' ' ' ILE . 96.1 mt -52.33 -49.41 64.32 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.744 0.817 . . . . 75.12 112.426 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.98 -44.19 94.63 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.087 0.955 . . . . 70.32 111.676 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.492 ' HE ' ' HA ' ' A' ' 57' ' ' ARG . 1.2 mmp_? -62.36 -37.68 86.62 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.575 0.75 . . . . 75.42 112.08 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 36' ' ' LEU . 83.2 t -65.16 -42.6 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 122.528 0.331 . . . . 73.12 110.305 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 60.6 mt -60.95 -44.86 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.071 0.548 . . . . 73.25 110.65 175.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.24 -45.54 83.83 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.697 0.799 . . . . 72.23 111.403 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -58.14 -42.94 86.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.987 0.915 . . . . 72.43 111.603 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 58' ' ' VAL . 63.5 mt -70.69 -25.88 27.27 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 C-N-CA 122.81 0.444 . . . . 74.54 110.989 177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 90.6 mt -68.4 -29.77 68.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.889 0.475 . . . . 73.33 111.41 171.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.68 -33.97 73.29 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.981 0.512 . . . . 73.51 111.373 169.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.9 mt -71.74 -39.65 69.92 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.176 0.591 . . . . 75.12 111.289 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -93.02 169.67 10.25 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.289 1.036 . . . . 73.51 111.458 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.2 t -85.44 115.35 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 122.936 0.494 . . . . 73.02 110.939 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 CA--C 1.567 1.604 0 C-N-CA 123.483 0.713 . . . . 75.41 110.145 177.147 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.698 0.285 . . . . 72.1 111.363 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.15 74.15 0.58 Allowed Glycine 0 C--N 1.351 1.378 0 N-CA-C 111.501 -0.64 . . . . 72.13 111.501 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -148.86 139.48 22.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.824 0.85 . . . . 73.33 110.527 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.49 ' HB2' ' HB2' ' B' ' 7' ' ' HIS . 94.6 m-70 -121.36 -172.95 2.52 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.466 1.106 . . . . 73.53 110.412 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -64.49 98.16 0.24 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.68 0.392 . . . . 73.44 110.079 173.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 74.7 m80 74.72 -46.13 0.59 Allowed 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 125.877 1.671 . . . . 71.23 112.645 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.49 ' HB2' ' HB2' ' B' ' 4' ' ' HIS . 70.7 m80 -62.96 93.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.304 1.041 . . . . 71.11 112.273 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -95.48 -14.88 23.34 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.284 0.634 . . . . 75.45 111.693 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -109.49 165.03 11.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.008 0.923 . . . . 73.23 111.907 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -149.35 127.38 11.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.965 0.906 . . . . 74.24 110.161 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.9 ttm -90.49 126.97 36.09 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.672 0.789 . . . . 70.44 111.162 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.05 87.14 0.49 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.933 -0.467 . . . . 72.41 111.933 174.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.65 77.61 2.04 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 119.932 -0.371 . . . . 71.21 113.709 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.91 -87.33 0.1 Allowed Glycine 0 C--N 1.357 1.704 0 C-N-CA 123.538 0.59 . . . . 44.44 113.891 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 26.8 tptp 66.63 -76.1 0.05 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.885 1.674 . . . . 75.5 112.726 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.23 135.86 34.48 Favored Glycine 0 C--N 1.358 1.757 0 CA-C-O 118.903 -0.943 . . . . 64.23 113.596 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -68.29 148.39 74.07 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.153 2.569 . . . . 72.45 113.085 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.17 89.97 2.03 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-O 121.378 0.609 . . . . 74.42 112.066 -176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.94 25.86 4.48 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.252 1.021 . . . . 72.13 111.284 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.09 86.83 4.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.148 0.979 . . . . 70.12 110.388 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -123.39 152.75 65.01 Favored Pre-proline 0 N--CA 1.487 1.42 0 C-N-CA 123.579 0.752 . . . . 54.51 111.961 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.63 -167.83 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.957 2.438 . . . . 65.32 113.097 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.9 mt 70.02 114.18 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.284 1.434 . . . . 74.25 112.79 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -83.98 67.6 9.7 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.005 0.922 . . . . 74.52 110.349 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.6 mt 68.26 -68.99 0.16 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.982 1.713 . . . . 74.11 113.604 176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 tt -120.9 -36.87 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.703 0.801 . . . . 75.22 110.298 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.76 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 64.34 67.16 0.59 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.733 1.213 . . . . 73.13 111.501 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.77 -52.86 21.55 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.125 0.417 . . . . 65.24 112.125 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.447 ' HE1' HG22 ' A' ' 52' ' ' VAL . 33.5 ttm -58.83 -45.88 89.0 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.461 0.704 . . . . 74.13 111.75 174.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.76 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 46.6 t30 -63.7 -36.6 84.38 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.773 0.829 . . . . 70.33 111.545 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -70.35 -43.46 70.15 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.103 0.561 . . . . 75.3 110.709 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.82 -37.97 89.41 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.638 0.775 . . . . 63.0 112.122 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.3 -40.46 90.03 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.623 0.769 . . . . 64.02 111.767 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -67.5 -37.82 83.39 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.245 0.618 . . . . 74.05 111.126 174.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -68.4 -29.49 68.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.944 1.298 . . . . 62.5 111.256 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 40' ' ' VAL . 96.3 mt -60.32 -54.99 39.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.021 0.529 . . . . 72.14 109.953 165.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.634 HH12 ' HD2' ' B' ' 57' ' ' ARG . 24.0 mmt180 -63.2 -16.73 61.08 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.027 1.121 . . . . 75.31 114.027 -176.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.82 -44.21 70.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.233 0.54 . . . . 71.41 110.272 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.35 -19.63 26.4 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.083 -0.962 . . . . 72.53 112.05 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.435 HG22 HG22 ' B' ' 58' ' ' VAL . 61.3 t -89.19 112.12 49.28 Favored Pre-proline 0 N--CA 1.488 1.438 0 C-N-CA 123.311 0.645 . . . . 74.41 110.306 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.5 -11.07 30.35 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.629 2.219 . . . . 72.43 113.6 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.75 71.04 2.62 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 123.028 0.347 . . . . 75.05 113.45 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.564 HG22 ' HD2' ' B' ' 37' ' ' ARG . 21.6 t -139.96 111.48 7.35 Favored Pre-proline 0 N--CA 1.489 1.483 0 C-N-CA 123.461 0.704 . . . . 72.04 109.567 174.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.49 137.95 23.69 Favored 'Trans proline' 0 CA--C 1.558 1.702 0 C-N-CA 122.412 2.075 . . . . 75.44 112.032 174.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -68.17 138.3 55.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.732 0.413 . . . . 74.03 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.72 -28.61 3.93 Favored Glycine 0 CA--C 1.541 1.679 0 CA-C-N 116.609 -0.269 . . . . 61.21 113.638 -175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.6 m -79.51 109.26 13.72 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.185 0.994 . . . . 75.44 110.227 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -74.37 -33.78 63.18 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.49 0.716 . . . . 64.14 112.548 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt 64.37 -176.62 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.335 1.054 . . . . 71.14 112.741 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.4 ' O ' HG13 ' B' ' 54' ' ' ILE . 74.4 m -142.98 170.84 14.94 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.426 0.528 . . . . 70.54 112.426 -176.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.54 -53.89 33.12 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.251 1.421 . . . . 75.32 113.966 -170.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.406 HG23 ' HE2' ' A' ' 29' ' ' MET . 18.0 t -71.28 -35.9 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.799 0.44 . . . . 73.33 111.205 -176.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -36.08 72.17 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.763 0.825 . . . . 74.21 110.391 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.597 HG12 ' HE ' ' B' ' 37' ' ' ARG . 18.7 mt -63.58 -51.79 65.8 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 116.293 -0.412 . . . . 74.42 110.566 175.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.408 ' O ' HG13 ' B' ' 59' ' ' ILE . 98.2 mt -54.26 -46.71 72.71 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.227 0.611 . . . . 65.51 112.308 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.09 -55.96 22.61 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.46 1.104 . . . . 72.32 112.239 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.634 ' HD2' HH12 ' B' ' 37' ' ' ARG . 14.4 ttm-85 -72.72 -24.5 60.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.277 -0.874 . . . . 75.32 111.943 -172.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.435 HG22 HG22 ' B' ' 40' ' ' VAL . 67.4 t -71.85 -41.13 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.936 0.494 . . . . 71.44 110.567 171.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 68.7 mt -60.28 -50.4 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 118.063 0.392 . . . . 74.53 110.55 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -54.14 -45.8 72.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.478 0.711 . . . . 73.23 111.63 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.41 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 53.1 t80 -54.57 -49.25 70.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.824 1.25 . . . . 73.05 111.421 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.71 -38.59 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 124.281 1.032 . . . . 75.11 111.757 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 97.0 mt -65.38 -37.08 85.92 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.231 0.612 . . . . 73.2 112.428 -177.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -61.0 -46.34 91.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.878 0.471 . . . . 64.35 110.872 173.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 66.3 mt -69.89 -39.16 76.43 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.781 0.833 . . . . 75.45 112.13 -176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -70.25 -30.06 67.02 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.277 1.031 . . . . 74.22 111.687 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t 61.62 86.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 124.781 1.232 . . . . 72.13 110.964 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 CA--C 1.563 1.445 0 C-N-CA 123.759 0.824 . . . . 75.32 111.205 -175.248 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.4 -0.222 . . . . 71.24 110.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.82 73.11 0.05 OUTLIER Glycine 0 CA--C 1.533 1.166 0 N-CA-C 111.707 -0.557 . . . . 70.11 111.707 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -81.13 160.76 24.33 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.03 0.932 . . . . 75.24 111.828 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -159.38 144.08 15.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.272 0.629 . . . . 75.52 110.74 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -132.44 -176.78 4.2 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.297 1.039 . . . . 75.24 111.215 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -150.86 125.83 9.82 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.596 0.759 . . . . 75.14 110.463 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -101.88 116.64 33.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.629 0.772 . . . . 61.01 109.898 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -82.05 160.16 23.29 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.355 0.662 . . . . 74.23 110.939 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -68.16 157.66 34.89 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.62 0.768 . . . . 73.21 113.017 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -133.07 152.43 51.96 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.01 0.924 . . . . 74.24 111.254 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.4 mmt -77.47 157.21 30.59 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.408 0.683 . . . . 74.44 110.116 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.98 124.99 0.89 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 121.333 -0.461 . . . . 71.35 114.236 177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.2 67.92 0.45 Allowed Glycine 0 C--N 1.35 1.345 0 C-N-CA 123.377 0.513 . . . . 71.35 112.307 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.95 168.0 29.82 Favored Glycine 0 N--CA 1.474 1.227 0 C-N-CA 122.881 0.277 . . . . 74.32 112.95 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -156.69 160.63 39.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.947 0.499 . . . . 72.23 111.909 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.75 122.18 5.99 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-O 118.773 -1.015 . . . . 45.42 112.187 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.79 125.32 16.35 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.595 2.864 . . . . 64.51 113.441 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.2 113.71 26.11 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.757 0.823 . . . . 64.35 111.404 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.0 -44.47 14.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.117 0.967 . . . . 72.41 110.805 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 62.16 -159.4 0.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.79 1.236 . . . . 73.33 112.444 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 73.17 131.61 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.107 0 C-N-CA 125.349 1.459 . . . . 72.14 112.496 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.09 96.03 0.22 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.928 2.419 . . . . 65.1 113.194 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -117.48 154.78 30.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.698 0.799 . . . . 74.12 111.369 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -76.98 -1.73 30.23 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.919 0.888 . . . . 65.1 112.012 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.41 -48.5 71.54 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.234 1.414 . . . . 74.52 111.622 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt 63.99 163.74 0.12 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.916 1.287 . . . . 74.01 112.928 -174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -168.94 126.56 0.99 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.178 -0.919 . . . . 74.24 109.901 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.41 -44.75 80.62 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.87 0.868 . . . . 71.02 111.922 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.616 ' HB2' HG23 ' B' ' 52' ' ' VAL . 17.6 ttm -62.97 -41.02 99.42 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.926 0.89 . . . . 73.53 112.439 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.39 -40.95 96.25 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.417 0.627 . . . . 73.4 111.167 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.59 -37.04 84.07 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 123.893 0.877 . . . . 74.43 110.903 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.6 m -66.0 -40.94 91.55 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.627 0.771 . . . . 62.41 111.755 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.74 -36.65 84.19 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.749 0.82 . . . . 74.1 112.042 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 t -59.78 -49.74 76.53 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.854 -0.612 . . . . 72.14 110.699 171.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.5 mtp85 -60.78 -36.47 79.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.032 0.933 . . . . 75.55 113.373 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 HD12 HD23 ' B' ' 55' ' ' LEU . 82.0 mt -58.99 -54.17 50.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.536 0.334 . . . . 74.23 110.481 172.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -62.78 -20.31 64.87 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.612 0.765 . . . . 74.03 112.268 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.5 mm-40 -78.79 -35.44 44.37 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.971 0.509 . . . . 74.45 111.016 175.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' B' ' 62' ' ' ILE . 95.2 mt -88.12 -12.94 42.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.783 0.833 . . . . 75.41 112.694 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 61' ' ' TYR . 49.8 t -102.89 101.3 20.2 Favored Pre-proline 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 72.31 110.376 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.38 -12.49 14.05 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 122.664 2.243 . . . . 74.42 112.928 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.62 54.22 4.79 Favored Glycine 0 N--CA 1.481 1.637 0 C-N-CA 123.32 0.486 . . . . 42.13 113.254 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.12 120.72 29.05 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.882 0.873 . . . . 72.1 110.281 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.88 119.58 6.82 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.622 2.215 . . . . 73.12 111.763 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -63.63 -34.63 78.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.634 0.774 . . . . 74.24 111.821 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.17 10.4 34.9 Favored Glycine 0 CA--C 1.544 1.875 0 N-CA-C 114.607 0.603 . . . . 75.54 114.607 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.7 m -103.58 -57.11 2.09 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 117.778 0.789 . . . . 75.54 111.535 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 62.91 106.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.285 1.034 . . . . 75.54 111.07 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -83.17 138.1 33.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.274 -0.875 . . . . 74.22 112.585 -172.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -98.01 -177.56 3.79 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.153 -0.684 . . . . 74.42 109.153 163.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -46.95 -51.94 15.78 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.037 1.495 . . . . 74.21 115.037 -166.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' B' ' 29' ' ' MET . 36.5 t -71.18 -40.89 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 122.852 0.461 . . . . 71.22 111.531 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.14 -28.01 68.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.33 0.652 . . . . 73.45 111.776 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 58' ' ' VAL . 73.4 mt -62.11 -52.42 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 122.608 0.363 . . . . 73.21 110.161 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD22 HD12 ' B' ' 36' ' ' LEU . 95.8 mt -52.64 -45.42 66.66 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.631 0.773 . . . . 71.14 112.19 178.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -58.25 -51.97 67.56 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.183 -0.917 . . . . 72.41 111.578 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -66.93 -24.63 66.11 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.569 0.748 . . . . 75.21 112.652 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 54' ' ' ILE . 69.7 t -68.28 -46.32 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.625 0.37 . . . . 64.03 110.044 172.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt -60.34 -44.35 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 122.884 0.474 . . . . 73.22 110.32 176.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -59.76 -42.15 92.6 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.016 0.926 . . . . 75.33 112.006 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' HB2' HG12 ' A' ' 40' ' ' VAL . 38.1 t80 -57.98 -46.91 84.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.623 0.769 . . . . 74.11 111.45 174.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 71.2 mt -65.74 -35.51 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 CA-C-N 115.766 -0.652 . . . . 73.15 110.4 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 91.4 mt -59.46 -41.43 89.68 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.216 0.606 . . . . 73.4 111.739 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.59 -34.59 67.32 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.61 0.764 . . . . 74.34 111.851 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 mt -83.81 -33.1 25.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.579 0.751 . . . . 73.41 112.405 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 77.4 mm-40 -85.85 -70.26 0.61 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.305 0.642 . . . . 73.11 111.822 -176.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.5 150.24 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.215 0.606 . . . . 61.33 111.791 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.489 1.479 0 C-N-CA 124.087 0.955 . . . . 73.33 109.155 176.508 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.35 0.119 . . . . 74.32 111.258 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.67 131.01 21.11 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 111.202 -0.759 . . . . 52.11 111.202 168.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -67.22 95.42 0.42 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 75.22 111.811 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -121.99 131.21 53.88 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.77 0.828 . . . . 74.21 109.606 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -78.88 -14.79 59.03 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.219 0.608 . . . . 74.41 111.684 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -64.05 137.06 57.81 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.979 0.911 . . . . 71.54 111.925 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 56.14 89.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.754 1.222 . . . . 70.33 112.754 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.85 108.74 20.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.905 -0.776 . . . . 75.22 108.905 167.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -67.51 139.4 56.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.241 0.617 . . . . 62.54 111.35 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -146.15 128.36 15.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.916 0.886 . . . . 75.35 110.114 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 16.5 tpt -75.47 143.29 42.67 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.638 0.775 . . . . 73.32 112.494 -169.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.29 -131.58 3.06 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.888 0.756 . . . . 73.52 111.652 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.62 55.55 4.54 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 116.875 0.337 . . . . 72.13 113.427 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.06 7.02 83.13 Favored Glycine 0 CA--C 1.543 1.837 0 N-CA-C 114.613 0.605 . . . . 74.22 114.613 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.62 134.41 41.6 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.897 0.879 . . . . 72.21 110.303 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.57 104.68 2.73 Favored Glycine 0 CA--C 1.546 2.018 0 CA-C-O 119.284 -0.731 . . . . 43.23 112.105 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.96 160.05 20.99 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.046 2.497 . . . . 75.13 113.345 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.36 78.95 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.326 0.651 . . . . 73.04 110.523 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.89 133.45 33.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.333 0.653 . . . . 72.24 110.941 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -174.47 3.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.102 0.961 . . . . 73.44 112.277 -176.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.7 119.6 47.35 Favored Pre-proline 0 CA--C 1.556 1.174 0 CA-C-N 115.597 -0.729 . . . . 74.01 109.577 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.24 93.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.932 2.422 . . . . 74.22 113.493 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -76.7 119.57 20.68 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.449 0.7 . . . . 71.55 111.953 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -126.05 -62.65 1.16 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.439 -0.949 . . . . 64.32 108.439 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp -107.21 107.62 18.66 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.444 0.698 . . . . 75.34 109.726 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.29 96.54 10.38 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 108.004 -1.11 . . . . 70.11 108.004 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.56 109.73 0.97 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.036 0.534 . . . . 74.3 111.25 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -50.41 -38.24 41.97 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 114.898 -1.046 . . . . 61.12 110.667 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.477 ' HB2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -53.78 -50.85 65.17 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.528 1.131 . . . . 62.0 112.451 170.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.26 -41.33 90.07 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.439 0.696 . . . . 74.34 111.167 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -67.09 -40.8 87.02 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.321 0.648 . . . . 75.0 110.978 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.72 -39.67 94.04 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.827 0.851 . . . . 61.44 111.781 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.57 -43.58 89.44 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.931 0.892 . . . . 74.42 112.034 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 39.5 m -58.87 -44.11 90.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.23 -0.896 . . . . 62.44 110.801 176.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -34.07 73.3 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.498 0.719 . . . . 74.42 111.694 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.547 HD12 HD22 ' A' ' 55' ' ' LEU . 81.4 mt -57.21 -52.18 66.36 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.875 0.369 . . . . 74.22 110.217 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -53.21 -30.89 40.31 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.589 1.156 . . . . 75.41 112.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.7 mm-40 -78.25 -38.98 41.61 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.005 0.522 . . . . 72.23 110.87 -177.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.02 -17.85 56.59 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.501 0.72 . . . . 71.24 111.943 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' B' ' 61' ' ' TYR . 54.3 t -97.88 107.68 41.78 Favored Pre-proline 0 N--CA 1.488 1.47 0 C-N-CA 123.471 0.708 . . . . 71.32 111.473 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.92 -14.42 26.5 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.688 2.259 . . . . 64.24 112.665 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.05 -22.16 70.36 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 114.483 0.553 . . . . 52.31 114.483 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.93 123.0 85.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.167 0.587 . . . . 73.43 110.69 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.31 97.1 0.24 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.634 2.222 . . . . 75.03 111.963 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 58.42 -161.8 0.24 Allowed 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 124.362 1.065 . . . . 75.44 111.894 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.49 48.08 3.96 Favored Glycine 0 CA--C 1.542 1.747 0 O-C-N 121.775 -0.578 . . . . 73.11 113.298 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 86.0 m -79.85 137.38 36.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.458 0.703 . . . . 74.23 111.052 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -79.23 82.33 5.4 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.565 0.746 . . . . 74.21 109.784 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.96 163.09 28.22 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.628 -0.715 . . . . 73.14 110.677 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -62.14 141.13 58.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 109.495 -0.557 . . . . 64.43 109.495 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.96 -32.68 21.74 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.507 0.723 . . . . 72.43 112.542 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 29' ' ' MET . 14.0 t -71.06 -44.55 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.604 0.762 . . . . 73.23 111.226 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.22 -30.29 71.17 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.345 0.658 . . . . 73.03 111.392 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.454 ' O ' HG23 ' B' ' 58' ' ' VAL . 75.0 mt -64.93 -49.07 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.497 0.719 . . . . 74.53 109.924 172.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 36' ' ' LEU . 96.5 mt -53.57 -49.64 67.29 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.214 0.606 . . . . 72.51 111.663 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.428 ' HA ' HD11 ' B' ' 59' ' ' ILE . 79.9 mt-30 -64.35 -32.57 74.24 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.476 1.11 . . . . 75.01 112.29 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -74.15 -29.31 61.73 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 75.42 110.95 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 54' ' ' ILE . 91.7 t -72.09 -41.12 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.284 0.634 . . . . 75.21 110.169 172.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' B' ' 56' ' ' GLN . 87.2 mt -58.98 -44.65 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.424 0.69 . . . . 73.44 110.21 173.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.39 -48.55 78.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.32 1.048 . . . . 73.42 111.315 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.467 ' HB2' HG13 ' B' ' 40' ' ' VAL . 55.6 t80 -56.59 -48.46 77.36 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.776 1.23 . . . . 71.52 111.846 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 39' ' ' LEU . 73.7 mt -71.18 -37.82 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.358 0 C-N-CA 123.12 0.568 . . . . 74.34 111.455 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.19 -33.2 75.26 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.371 0.668 . . . . 70.41 111.681 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.49 -30.82 67.71 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.722 0.809 . . . . 74.21 111.173 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 89.6 mt -79.64 -43.96 21.85 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.433 0.693 . . . . 62.02 111.657 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.84 -166.42 1.48 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.287 1.035 . . . . 73.42 110.964 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.48 127.84 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.653 -0.499 . . . . 72.24 109.653 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.571 1.784 0 N-CA-C 113.319 0.859 . . . . 73.22 113.319 -177.031 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.667 0.27 . . . . 72.23 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 -87.79 1.1 Allowed Glycine 0 CA--C 1.539 1.563 0 CA-C-N 116.717 -0.22 . . . . 64.34 112.848 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -91.37 107.78 19.44 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.677 0.791 . . . . 64.01 111.008 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -83.01 152.41 25.42 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.389 0.676 . . . . 71.23 111.386 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -124.53 167.1 14.92 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.731 0.812 . . . . 65.22 111.748 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -145.48 127.03 15.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.916 0.887 . . . . 75.11 109.985 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -161.53 125.16 3.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.454 0.701 . . . . 72.22 110.012 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -102.19 -35.82 8.75 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.69 0.796 . . . . 71.41 112.162 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -70.17 99.25 1.47 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.326 0.65 . . . . 62.0 111.242 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -109.44 12.89 24.36 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.137 0.575 . . . . 73.43 112.364 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.4 ptp -140.42 141.06 35.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.391 0.677 . . . . 64.4 111.166 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.26 32.76 3.76 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 114.353 0.501 . . . . 75.4 114.353 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.58 -25.54 46.29 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-N 116.735 0.268 . . . . 73.45 112.77 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.47 127.2 8.99 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 123.018 0.342 . . . . 74.3 112.739 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -154.83 178.43 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 75.52 112.059 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.65 29.96 Favored Glycine 0 CA--C 1.54 1.65 0 CA-C-N 115.697 -0.683 . . . . 54.0 112.316 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.85 89.52 1.0 Allowed 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 122.564 2.176 . . . . 75.1 112.5 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.11 112.99 26.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.714 0.806 . . . . 74.55 110.404 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 69.26 149.39 0.07 Allowed 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.892 1.277 . . . . 72.42 113.333 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -158.1 178.88 9.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.375 0.67 . . . . 74.22 111.709 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -84.71 149.06 53.15 Favored Pre-proline 0 N--CA 1.485 1.297 0 C-N-CA 123.533 0.733 . . . . 74.15 111.177 -177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.25 -170.35 0.96 Allowed 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.734 2.289 . . . . 74.14 112.139 175.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.06 -38.7 82.74 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 122.394 -0.191 . . . . 65.21 111.188 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m 63.95 99.56 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.928 1.291 . . . . 72.0 111.103 -177.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.59 -65.4 0.57 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.591 1.156 . . . . 75.41 111.328 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -106.34 139.96 40.01 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 108.895 -0.78 . . . . 73.03 108.895 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.73 29.14 0.13 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.02 0.928 . . . . 74.33 113.017 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.65 -39.88 71.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.937 0.895 . . . . 73.51 111.916 -172.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.482 ' HE1' HG22 ' B' ' 52' ' ' VAL . 32.1 ttm -58.68 -45.16 90.02 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.953 0.901 . . . . 75.45 112.003 174.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -64.81 -44.19 90.72 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.41 0.684 . . . . 75.02 111.322 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.98 -40.83 97.28 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.224 0.61 . . . . 72.4 111.232 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 80.0 m -62.56 -42.38 99.5 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.683 0.793 . . . . 70.23 111.931 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -69.02 -35.98 77.26 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.527 0.731 . . . . 72.24 112.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -64.26 -42.31 96.54 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.42 0.628 . . . . 64.04 110.376 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -31.74 69.51 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.074 1.349 . . . . 74.25 111.266 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 58' ' ' VAL . 78.4 mt -62.51 -49.07 76.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.135 0.574 . . . . 63.45 109.728 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.91 -17.86 58.21 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 112.92 0.711 . . . . 75.32 112.92 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -84.4 -39.86 18.51 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.021 0.439 . . . . 73.34 110.205 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' HB3' HG21 ' B' ' 62' ' ' ILE . 93.1 mt -80.25 -23.49 40.79 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.419 0.688 . . . . 75.03 112.721 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 61' ' ' TYR . 59.5 t -94.17 109.94 45.29 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.626 0.77 . . . . 72.21 111.271 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.56 75.66 4.93 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.805 2.337 . . . . 73.22 111.79 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.22 13.3 0.04 OUTLIER Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.449 -0.796 . . . . 64.01 114.353 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG11 HD13 ' A' ' 49' ' ' LEU . 61.6 t -96.02 114.85 64.99 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.583 0.753 . . . . 73.31 109.585 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.567 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 51.1 Cg_exo -54.62 152.78 26.13 Favored 'Trans proline' 0 CA--C 1.566 2.091 0 C-N-CA 122.97 2.447 . . . . 70.53 114.846 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.28 105.44 4.68 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.296 0.638 . . . . 74.25 111.916 -175.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.58 39.47 29.83 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.147 -0.478 . . . . 74.13 113.059 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 7.3 t -84.85 -32.12 23.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.166 0.586 . . . . 74.35 112.133 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 58.0 47.73 14.39 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.123 0.969 . . . . 72.12 111.834 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HG11 ' A' ' 43' ' ' VAL . 78.4 mt -56.63 122.23 11.57 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.435 0.294 . . . . 72.44 110.736 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -74.89 177.44 6.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.898 0.38 . . . . 55.42 111.196 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' HG2' ' HE3' ' B' ' 29' ' ' MET . 41.3 tt0 -49.27 -44.65 44.04 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.307 1.443 . . . . 73.14 114.15 -166.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.615 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.4 t -72.63 -43.96 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 122.852 0.461 . . . . 74.31 111.771 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.35 -29.79 70.71 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.324 0.649 . . . . 75.23 112.42 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.92 -47.4 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 122.918 0.487 . . . . 75.52 110.61 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.4 mt -56.15 -39.47 72.35 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.197 0.599 . . . . 75.41 111.978 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.87 -43.14 99.45 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 123.57 0.748 . . . . 75.33 111.19 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -67.71 -33.43 74.89 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.716 0.806 . . . . 72.34 111.994 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG12 HG11 ' B' ' 58' ' ' VAL . 91.0 t -65.4 -40.99 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 122.631 0.372 . . . . 74.03 110.502 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.46 -50.66 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 122.927 0.491 . . . . 73.1 110.206 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -50.41 -50.82 50.71 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.676 0.79 . . . . 72.24 111.714 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.473 ' HB2' HG11 ' A' ' 40' ' ' VAL . 48.6 t80 -57.49 -55.63 32.34 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.993 0.917 . . . . 72.33 112.33 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.51 HG22 HE21 ' A' ' 66' ' ' GLN . 42.5 mt -68.66 -26.44 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 C-N-CA 122.855 0.462 . . . . 73.34 111.902 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.66 -49.76 76.48 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.007 0.523 . . . . 72.05 112.143 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.55 -31.22 71.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.383 0.673 . . . . 75.22 112.803 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.11 -40.2 71.61 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.383 0.611 . . . . 73.42 111.152 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.51 HE21 HG22 ' A' ' 62' ' ' ILE . 43.5 mt-30 -99.59 -160.8 0.83 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.257 -0.883 . . . . 73.54 110.567 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.74 131.48 34.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 CA-C-O 121.078 0.466 . . . . 63.33 109.876 165.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.564 1.499 0 C-N-CA 123.544 0.737 . . . . 73.52 111.009 -177.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.283 0.563 . . . . 71.5 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.17 58.58 0.24 Allowed Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.042 -0.526 . . . . 64.54 112.25 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -92.73 -49.74 5.93 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.37 1.068 . . . . 64.3 112.339 -176.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -154.11 -20.32 0.13 Allowed 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.579 0.955 . . . . 72.22 113.579 -172.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.31 -25.99 68.29 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 113.25 0.833 . . . . 64.53 113.25 -172.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -86.13 128.87 34.96 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.33 0.652 . . . . 73.43 111.596 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -118.61 96.11 5.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.513 0.725 . . . . 72.1 110.781 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -107.21 125.17 50.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.74 0.816 . . . . 72.31 110.751 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p -144.82 143.37 30.6 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.224 0.609 . . . . 72.33 111.151 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -139.33 115.63 10.46 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.847 0.859 . . . . 71.14 110.32 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 63.7 mtt -73.74 124.47 26.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.802 0.441 . . . . 74.0 110.693 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.36 -51.13 3.35 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 111.959 -0.456 . . . . 75.12 111.959 -171.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.23 -23.0 73.09 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 114.198 0.439 . . . . 74.21 114.198 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.5 -21.76 78.68 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 114.282 0.473 . . . . 73.53 114.282 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.86 103.48 2.22 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.551 0.74 . . . . 72.21 111.852 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.46 159.62 10.22 Favored Glycine 0 CA--C 1.544 1.873 0 CA-C-O 119.926 -0.374 . . . . 63.45 113.874 174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -90.11 -178.77 1.62 Allowed 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.442 2.761 . . . . 73.21 113.34 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.03 172.0 19.15 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.16 0.584 . . . . 74.3 111.67 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 67.58 -178.05 0.21 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.676 1.19 . . . . 75.14 112.943 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.06 -172.1 3.04 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.745 0.818 . . . . 73.24 111.3 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 126.48 92.66 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 123.201 0.6 . . . . 75.21 111.203 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -65.21 135.97 45.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.375 2.05 . . . . 73.15 111.303 170.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 74.7 mt 70.12 154.1 0.12 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 124.695 1.198 . . . . 73.34 111.515 -169.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 18.1 m 67.58 158.69 0.14 Allowed 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 124.697 1.199 . . . . 63.15 112.165 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.1 145.05 51.38 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.43 0.692 . . . . 75.51 110.806 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.75 75.11 10.36 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.433 0.693 . . . . 63.01 110.495 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.81 82.2 7.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.348 -0.842 . . . . 74.31 109.918 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.53 -35.05 39.08 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.281 1.032 . . . . 75.22 111.438 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.615 ' HG2' HG22 ' A' ' 52' ' ' VAL . 5.1 mtp -60.77 -48.52 81.43 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.284 -0.871 . . . . 75.23 111.811 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.72 -31.8 72.69 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.429 0.692 . . . . 72.11 111.557 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -67.77 -39.24 84.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.654 0.381 . . . . 74.01 111.356 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.08 -44.97 75.08 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.226 0.61 . . . . 72.43 111.234 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -59.41 -37.87 79.13 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.553 1.141 . . . . 73.44 111.805 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.42 -43.95 95.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.476 0.71 . . . . 71.02 110.955 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -69.82 -30.61 68.17 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.054 0.542 . . . . 75.41 111.731 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.37 -44.14 97.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.165 -0.309 . . . . 75.44 110.165 170.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.438 HH12 ' HB2' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -68.91 -7.59 36.31 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 112.901 0.704 . . . . 63.22 112.901 177.624 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -93.47 -39.13 11.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.465 0.706 . . . . 73.11 110.134 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.67 -11.18 54.44 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.362 -0.836 . . . . 73.23 112.799 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.49 94.9 24.46 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 123.333 0.653 . . . . 61.23 111.112 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.23 -5.11 16.6 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.677 2.251 . . . . 74.51 113.019 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.37 56.39 4.41 Favored Glycine 0 C--N 1.359 1.827 0 CA-C-O 121.395 0.441 . . . . 74.51 112.866 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.442 HG12 HD11 ' B' ' 49' ' ' LEU . 74.4 t -131.73 126.07 20.74 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 124.973 1.309 . . . . 74.52 109.156 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.37 135.57 68.75 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.581 2.187 . . . . 73.24 112.277 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -69.14 146.83 52.16 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.142 0.577 . . . . 72.33 111.743 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.11 42.17 98.17 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-N 116.35 -0.386 . . . . 71.04 113.333 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -135.19 116.46 14.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.32 0.648 . . . . 72.45 111.128 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -85.06 114.38 22.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.594 0.757 . . . . 70.12 110.147 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.442 HD11 HG12 ' B' ' 43' ' ' VAL . 84.6 mt -96.18 122.5 39.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.967 0.507 . . . . 75.43 111.784 -176.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.4 m -78.63 174.91 10.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.702 0.801 . . . . 75.44 110.614 173.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -49.46 -51.4 36.0 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.91 1.448 . . . . 72.1 114.91 -172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.482 HG22 ' HE1' ' A' ' 29' ' ' MET . 33.0 t -71.73 -40.65 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 122.586 0.354 . . . . 73.15 110.527 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.41 -37.57 67.8 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.938 0.895 . . . . 71.21 111.813 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.15 -51.32 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.481 0.712 . . . . 73.24 111.065 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.93 -44.15 78.05 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.028 0.931 . . . . 72.2 111.967 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -62.82 -41.96 99.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.943 0.897 . . . . 74.5 111.64 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.438 ' HB2' HH12 ' B' ' 37' ' ' ARG . 1.7 mmp_? -71.91 -29.76 64.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.782 0.833 . . . . 74.33 112.184 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.473 HG11 HG12 ' A' ' 58' ' ' VAL . 55.6 t -68.28 -52.93 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.713 0.405 . . . . 52.42 110.222 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.34 -47.93 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.612 0.765 . . . . 75.43 111.131 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -57.44 -42.99 83.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.606 0.763 . . . . 72.05 111.916 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.45 -46.31 89.11 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.988 0.915 . . . . 74.22 112.105 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 39' ' ' LEU . 82.3 mt -64.72 -40.01 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 122.925 0.49 . . . . 73.42 110.918 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.94 -31.82 72.66 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.439 0.696 . . . . 64.4 111.436 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.05 -32.84 74.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.427 0.691 . . . . 74.52 111.158 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -83.76 -41.39 17.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.057 0.543 . . . . 74.22 112.325 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -79.06 -58.57 3.17 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.246 0.619 . . . . 70.42 111.327 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.43 85.75 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 122.119 0.962 . . . . 75.13 110.377 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.567 1.598 0 CA-C-N 114.596 -1.183 . . . . 74.44 110.195 176.79 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.354 0.121 . . . . 73.23 110.684 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.04 138.03 13.71 Favored Glycine 0 N--CA 1.474 1.206 0 CA-C-O 119.896 -0.391 . . . . 51.23 112.562 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.11 81.93 6.27 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-O 121.648 0.737 . . . . 74.32 111.063 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -134.37 170.48 15.67 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.364 1.065 . . . . 74.3 110.156 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -85.59 92.37 8.53 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.242 0.617 . . . . 71.5 109.74 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -72.55 94.33 1.68 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.337 0.589 . . . . 74.31 111.9 -173.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -126.37 97.4 5.04 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.914 0.886 . . . . 75.52 109.548 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.63 98.42 1.16 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.958 0.503 . . . . 75.53 109.86 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 m -82.89 127.72 33.76 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.176 0.591 . . . . 74.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -152.98 126.9 8.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.829 0.852 . . . . 71.33 110.405 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.6 mtt -131.91 168.16 18.35 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.619 0.768 . . . . 75.52 110.703 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.44 115.52 0.64 Allowed Glycine 0 CA--C 1.536 1.386 0 CA-C-O 120.083 -0.287 . . . . 71.25 112.388 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.3 52.32 0.06 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.08 0.371 . . . . 74.43 112.538 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.04 167.38 45.62 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 122.784 0.23 . . . . 61.43 113.535 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -149.0 150.86 33.54 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.676 0.79 . . . . 74.25 110.626 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.45 -164.52 25.72 Favored Glycine 0 CA--C 1.543 1.835 0 CA-C-O 119.965 -0.353 . . . . 74.23 113.87 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.06 162.49 20.49 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.873 2.382 . . . . 75.02 113.171 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.76 106.06 0.95 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.832 0.853 . . . . 63.34 110.007 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.62 138.44 34.38 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.33 0.652 . . . . 73.45 111.461 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 67.51 134.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.702 1.601 . . . . 74.23 113.549 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.52 113.65 64.45 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 123.849 0.86 . . . . 73.34 110.251 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.28 133.83 3.39 Favored 'Trans proline' 0 C--N 1.37 1.662 0 C-N-CA 122.837 2.358 . . . . 71.43 113.085 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 27' ' ' ASP . 66.3 mt 69.15 130.43 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 124.999 1.319 . . . . 73.15 112.986 172.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.8 t -149.97 -54.53 0.16 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.925 -0.485 . . . . 75.1 112.057 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.86 -67.11 0.78 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.164 0.586 . . . . 74.34 110.189 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -108.45 94.98 5.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.635 0.774 . . . . 72.34 109.443 171.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 23' ' ' LEU . 2.3 m-20 -73.2 112.31 9.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.7 0.8 . . . . 65.14 109.587 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.6 -40.14 62.37 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.342 1.057 . . . . 72.12 111.875 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.7 ttm -59.38 -47.16 86.48 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.645 0.778 . . . . 75.44 112.18 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.03 -43.07 96.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.454 0.702 . . . . 73.1 110.966 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.72 -37.45 79.48 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.76 0.824 . . . . 72.43 111.595 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.1 m -64.9 -40.1 94.55 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.387 0.675 . . . . 75.23 111.363 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -62.62 -41.43 99.0 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.726 0.81 . . . . 75.51 112.135 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -58.8 -48.06 82.58 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.349 0.66 . . . . 71.13 110.929 173.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -66.47 -34.84 78.83 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.075 0.95 . . . . 72.22 112.433 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 52.9 mt -59.75 -55.02 39.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.168 0.587 . . . . 75.34 110.345 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -34.98 68.01 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.331 1.052 . . . . 75.11 110.423 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.11 -39.25 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.63 0.772 . . . . 75.44 111.565 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.03 -13.87 61.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.799 0.84 . . . . 71.2 112.174 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 57' ' ' ARG . 57.0 t -101.88 109.48 59.79 Favored Pre-proline 0 CA--C 1.564 1.487 0 C-N-CA 123.708 0.803 . . . . 75.15 111.779 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.32 -16.63 15.27 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 123.171 2.581 . . . . 73.44 112.965 170.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 55.07 5.0 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 123.373 0.511 . . . . 70.43 113.585 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.44 132.34 24.28 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.898 1.279 . . . . 71.43 108.978 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.2 122.51 11.68 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.607 2.205 . . . . 73.43 112.02 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -58.87 124.3 19.36 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.678 0.791 . . . . 74.54 111.12 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.62 -2.48 73.51 Favored Glycine 0 N--CA 1.477 1.384 0 N-CA-C 114.329 0.492 . . . . 73.2 114.329 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.1 m -95.86 126.15 40.91 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.452 0.701 . . . . 75.44 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -71.42 -31.12 66.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.654 0.782 . . . . 74.11 111.993 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt 67.01 -171.92 0.19 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.762 1.225 . . . . 72.4 112.312 -176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.558 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 61.9 m -132.52 175.47 9.27 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.831 1.252 . . . . 74.32 110.501 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -57.79 -47.36 82.79 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.644 0.778 . . . . 75.51 111.957 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.1 t -71.94 -39.38 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 115.57 -0.741 . . . . 74.43 111.009 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HB2' ' H ' ' A' ' 50' ' ' SER . 42.3 mm-40 -53.13 -48.66 67.72 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.778 0.831 . . . . 73.0 112.084 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.11 -45.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 74.21 111.486 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD22 HD11 ' B' ' 36' ' ' LEU . 94.4 mt -51.28 -49.05 62.01 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.798 0.439 . . . . 73.43 111.687 172.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.28 -45.64 93.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.583 0.753 . . . . 74.0 111.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.658 ' HB3' HG12 ' A' ' 40' ' ' VAL . 30.2 mmt180 -59.64 -36.91 77.31 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.975 0.91 . . . . 74.51 111.334 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG12 HG11 ' B' ' 58' ' ' VAL . 94.1 t -69.48 -42.67 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.564 0.746 . . . . 74.52 111.479 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.551 HD11 ' HE ' ' B' ' 35' ' ' ARG . 88.2 mt -58.16 -50.75 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 122.92 0.488 . . . . 71.13 110.262 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -62.16 -36.02 80.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.774 0.83 . . . . 74.44 112.49 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.582 0.753 . . . . 74.31 111.4 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' B' ' 39' ' ' LEU . 55.0 mt -73.34 -35.88 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.841 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -58.81 -33.88 70.87 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.275 0.63 . . . . 74.04 111.67 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -37.64 88.23 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 123.677 0.791 . . . . 74.31 111.025 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 mt -79.24 -32.92 43.95 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.749 0.819 . . . . 72.23 112.159 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.25 143.82 29.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.855 0.862 . . . . 73.04 111.291 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t 62.03 105.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 125.54 1.536 . . . . 73.43 112.726 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.563 1.47 0 C-N-CA 123.297 0.639 . . . . 73.45 110.099 175.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.496 0.188 . . . . 72.13 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.89 36.78 0.09 OUTLIER Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.558 -0.292 . . . . 70.42 113.742 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.87 100.31 4.76 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.009 0.524 . . . . 75.32 110.403 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -156.72 149.39 23.6 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.353 0.661 . . . . 73.2 110.576 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -78.97 94.75 5.31 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.942 0.897 . . . . 74.53 110.38 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -155.69 103.28 2.26 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.467 0.707 . . . . 71.52 110.746 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -86.9 -8.42 57.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.813 0.845 . . . . 72.51 112.282 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -83.11 8.17 13.82 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.549 0.74 . . . . 73.21 112.708 -173.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.403 ' HA ' ' SD ' ' B' ' 11' ' ' MET . 52.7 m -65.83 82.29 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.034 0.934 . . . . 64.12 111.358 174.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -139.08 33.22 2.14 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.57 1.148 . . . . 62.42 109.944 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' B' ' 9' ' ' SER . 1.7 mpt? -75.08 110.61 9.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.812 0.845 . . . . 72.23 111.236 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.87 173.72 17.03 Favored Glycine 0 N--CA 1.476 1.338 0 CA-C-N 116.494 -0.321 . . . . 73.23 112.97 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.52 -105.31 0.19 Allowed Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.939 -0.367 . . . . 60.32 112.292 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.44 34.36 68.23 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.913 0.356 . . . . 74.31 113.312 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -88.99 50.34 1.94 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.751 0.82 . . . . 72.53 111.533 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.63 63.19 4.23 Favored Glycine 0 CA--C 1.546 2.016 0 CA-C-N 115.48 -0.782 . . . . 64.54 113.431 -173.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.65 98.7 1.07 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.673 2.249 . . . . 73.53 112.906 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 173.36 9.16 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.597 -0.729 . . . . 64.3 112.181 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.51 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 125.368 1.467 . . . . 73.52 111.513 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.96 -16.01 60.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.125 0.97 . . . . 73.24 113.3 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.97 144.57 98.86 Favored Pre-proline 0 CA--C 1.564 1.507 0 C-N-CA 123.421 0.688 . . . . 72.1 110.525 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.44 118.34 5.2 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.836 2.357 . . . . 63.04 112.555 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.05 134.23 37.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.581 0.752 . . . . 74.33 111.434 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.5 p -88.53 8.39 28.37 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.035 0.934 . . . . 72.12 112.573 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.0 mt 65.62 -179.58 0.19 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 125.012 1.325 . . . . 72.11 113.185 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -151.63 -58.67 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.251 -1.018 . . . . 74.54 108.251 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 63.47 112.6 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.233 1.413 . . . . 71.13 112.339 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.97 -34.38 69.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.169 0.988 . . . . 62.42 112.003 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.599 ' HG2' HG22 ' A' ' 52' ' ' VAL . 48.3 mtp -68.71 -39.85 80.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.788 0.435 . . . . 73.54 111.243 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.16 -28.65 64.42 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.222 0.609 . . . . 74.34 110.641 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -61.59 -44.57 96.77 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.434 0.694 . . . . 74.43 110.374 170.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.48 -38.26 84.12 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.396 0.679 . . . . 73.12 112.102 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.62 -35.23 80.33 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.918 0.887 . . . . 75.3 112.096 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -63.26 -46.24 87.79 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.108 0.563 . . . . 63.03 110.744 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.551 ' HE ' HD11 ' A' ' 59' ' ' ILE . 13.6 mtp180 -61.88 -34.37 75.89 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.871 0.869 . . . . 75.32 112.772 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD11 HD22 ' A' ' 55' ' ' LEU . 88.6 mt -60.34 -54.26 47.75 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.733 0.413 . . . . 72.22 110.38 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -66.35 -12.16 55.23 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.6 0.963 . . . . 75.34 113.6 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.91 -29.38 20.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 120.924 0.393 . . . . 75.44 111.048 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 62' ' ' ILE . 88.1 mt -96.33 -5.45 39.98 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.243 1.017 . . . . 72.12 112.779 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' B' ' 61' ' ' TYR . 62.1 t -111.34 97.69 36.83 Favored Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 123.063 0.545 . . . . 72.32 110.959 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -82.63 -5.59 11.63 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.146 2.564 . . . . 71.54 113.115 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.37 50.08 4.34 Favored Glycine 0 C--N 1.359 1.849 0 C-N-CA 123.08 0.371 . . . . 72.23 112.782 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.472 HG22 HG11 ' B' ' 40' ' ' VAL . 95.0 t -129.68 135.43 27.51 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.727 1.211 . . . . 74.45 109.412 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.01 124.78 16.43 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.454 2.103 . . . . 71.42 111.098 170.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -75.34 130.41 38.99 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.26 0.624 . . . . 75.52 111.073 -171.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.02 21.94 54.0 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 116.023 -0.535 . . . . 73.32 113.89 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -93.94 177.13 6.08 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.194 0.598 . . . . 72.54 111.041 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -117.78 101.0 7.96 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.484 0.713 . . . . 75.23 110.216 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.07 113.29 25.23 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.975 0.51 . . . . 72.24 111.556 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 165.65 21.7 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 115.803 -0.635 . . . . 62.35 110.272 165.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -55.98 -34.44 65.74 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.668 0.787 . . . . 74.34 113.017 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.448 HG12 HE21 ' B' ' 56' ' ' GLN . 48.3 t -71.88 -44.58 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.071 0.548 . . . . 75.32 110.633 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.6 mm-40 -59.42 -37.39 77.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.859 0.864 . . . . 71.44 112.172 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.8 -52.12 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.664 0.786 . . . . 74.23 110.718 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 36' ' ' LEU . 91.7 mt -53.02 -42.68 65.9 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.738 0.815 . . . . 73.0 111.775 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.448 HE21 HG12 ' B' ' 52' ' ' VAL . 77.4 mt-30 -62.09 -47.95 82.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.814 0.846 . . . . 74.35 112.131 177.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' B' ' 53' ' ' GLU . 19.2 mmt-85 -69.7 -24.7 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.955 0.502 . . . . 74.51 111.875 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.562 HG11 HG12 ' A' ' 58' ' ' VAL . 95.3 t -68.17 -44.84 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 122.834 0.454 . . . . 74.25 110.448 170.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.32 -46.57 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.966 0.506 . . . . 74.41 110.76 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -56.52 -42.97 79.31 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.899 0.879 . . . . 75.31 111.567 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.553 ' HB2' HG13 ' B' ' 40' ' ' VAL . 59.3 t80 -58.3 -55.31 36.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.3 1.04 . . . . 73.44 111.72 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 82.4 mt -62.72 -48.77 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.346 0.658 . . . . 71.34 111.365 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.59 -35.05 75.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.386 0.674 . . . . 75.41 111.989 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.85 -30.66 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.593 0.757 . . . . 73.03 111.622 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.64 -36.67 28.59 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.33 0.652 . . . . 74.35 111.719 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 85.4 mm-40 -70.92 -67.39 0.51 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 64.23 111.808 -175.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.18 153.34 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.885 0.874 . . . . 71.34 111.754 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.565 1.529 0 C-N-CA 123.592 0.757 . . . . 73.23 112.354 178.197 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 25.0 mmt . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 111.26 0.096 . . . . 71.14 111.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.16 65.23 2.51 Favored Glycine 0 C--N 1.351 1.367 0 O-C-N 123.226 0.329 . . . . 72.21 113.215 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -144.54 132.92 21.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.734 0.814 . . . . 73.21 110.354 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -133.31 131.45 40.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.548 0.739 . . . . 74.33 109.264 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 7' ' ' HIS . 25.6 p80 -86.7 157.4 19.66 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.091 0.472 . . . . 71.24 110.898 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -126.47 27.1 6.22 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 122.135 0.969 . . . . 73.0 109.882 176.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' HD2' ' HB2' ' A' ' 5' ' ' HIS . 93.0 m-70 -92.58 104.77 17.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.407 -0.815 . . . . 70.24 110.467 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -154.3 150.2 27.74 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.06 0.544 . . . . 75.32 110.811 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 m -145.94 109.8 4.87 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.134 0.974 . . . . 73.11 110.796 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -126.56 119.22 26.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.245 0.618 . . . . 75.43 109.758 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.6 ttp -102.17 124.52 47.91 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.848 0.859 . . . . 72.42 110.422 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -117.53 0.52 Allowed Glycine 0 CA--C 1.534 1.25 0 CA-C-O 119.88 -0.4 . . . . 74.53 112.361 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.21 -118.37 4.61 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-O 119.763 -0.465 . . . . 43.51 112.814 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.92 -148.97 48.77 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 116.979 0.389 . . . . 51.45 113.244 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.79 101.75 13.63 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.154 0.582 . . . . 75.23 110.193 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -161.72 115.12 0.64 Allowed Glycine 0 CA--C 1.543 1.798 0 CA-C-O 119.099 -0.834 . . . . 75.44 112.765 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.68 107.84 2.28 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 123.277 2.651 . . . . 65.43 112.125 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 26' ' ' LEU . . . -112.6 -170.25 1.63 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.554 0.742 . . . . 71.32 111.946 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.3 -173.34 4.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.915 0.886 . . . . 65.33 110.78 -176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.15 84.39 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.327 1.06 . . . . 73.1 111.619 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -115.38 160.63 33.61 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 124.663 1.185 . . . . 71.1 111.275 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -81.25 -146.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.511 2.14 . . . . 64.0 110.778 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.58 67.52 8.67 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-O 121.172 0.511 . . . . 72.12 110.103 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -163.68 172.43 14.25 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.72 0.808 . . . . 61.35 111.429 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? 70.95 -77.35 0.06 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.199 1.399 . . . . 74.11 111.952 170.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 18' ' ' ALA . 5.4 tt -144.07 145.8 32.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.055 -1.091 . . . . 65.14 108.055 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' N ' HD22 ' A' ' 26' ' ' LEU . 5.6 m-20 -71.86 74.91 0.88 Allowed 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.265 0.626 . . . . 71.42 111.021 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.24 -44.04 89.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.701 0.801 . . . . 74.11 109.795 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 ttm -53.15 -45.52 68.46 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.343 1.057 . . . . 54.33 112.577 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -45.3 85.44 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.398 0.679 . . . . 74.15 110.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.85 -45.26 95.24 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.939 0.896 . . . . 75.3 110.917 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -64.26 -39.27 93.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.501 1.12 . . . . 64.11 112.45 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 -44.99 95.47 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.392 0.677 . . . . 75.44 111.958 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 22.8 t -64.71 -41.83 95.72 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.874 -0.603 . . . . 73.02 110.368 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HD3' HD12 ' B' ' 59' ' ' ILE . 50.1 ttt180 -63.09 -34.47 77.66 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.577 1.151 . . . . 74.42 112.454 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 40' ' ' VAL . 68.8 mt -61.69 -52.31 64.83 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.242 0.544 . . . . 74.51 109.745 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' NH1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.39 -22.28 66.9 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.483 1.113 . . . . 63.34 111.814 -174.304 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 34' ' ' SER . 48.7 mm-40 -66.31 -41.89 89.07 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.451 0.7 . . . . 74.24 110.763 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.8 mt -93.11 -3.44 54.11 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.858 -1.065 . . . . 75.32 113.213 -170.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 36' ' ' LEU . 45.9 t -100.55 102.36 18.66 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 122.823 0.449 . . . . 75.44 111.45 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.79 -9.58 14.45 Favored 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.515 2.143 . . . . 75.54 112.394 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 -10.01 58.33 Favored Glycine 0 C--N 1.361 1.937 0 C-N-CA 123.461 0.553 . . . . 75.5 114.295 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG11 HD13 ' A' ' 49' ' ' LEU . 79.8 t -56.48 125.34 66.15 Favored Pre-proline 0 CA--C 1.565 1.523 0 C-N-CA 123.838 0.855 . . . . 75.22 111.324 172.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.22 149.54 88.57 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.301 2.0 . . . . 62.25 112.787 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.43 111.8 2.47 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.567 1.147 . . . . 75.12 112.999 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.48 81.43 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.184 0.834 . . . . 73.11 115.184 173.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -82.99 141.98 31.7 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.323 0.561 . . . . 73.0 111.166 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -53.4 51.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.209 1.004 . . . . 73.13 111.589 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD13 HG11 ' A' ' 43' ' ' VAL . 44.0 mt 66.63 121.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.687 1.595 . . . . 74.03 114.283 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -75.74 161.37 29.11 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.469 0.707 . . . . 74.45 110.484 167.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.84 -26.49 68.64 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.892 0.477 . . . . 73.41 111.427 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.9 t -71.63 -42.96 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 115.939 -0.573 . . . . 74.24 110.065 174.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.884 -0.598 . . . . 54.44 111.417 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.9 mt -55.45 -52.96 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.879 0.472 . . . . 74.42 110.488 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.618 HD23 HD12 ' B' ' 36' ' ' LEU . 94.6 mt -54.62 -48.57 72.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.743 0.817 . . . . 75.25 112.538 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 59' ' ' ILE . 47.1 mt-30 -68.41 -35.67 77.99 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.76 0.824 . . . . 63.33 112.554 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 94.5 mtt-85 -78.78 -18.76 53.64 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.306 0.642 . . . . 74.45 112.014 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG11 HG13 ' B' ' 58' ' ' VAL . 69.3 t -72.86 -41.25 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 109.853 -0.425 . . . . 74.24 109.853 166.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -55.02 -53.99 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 109.451 -0.574 . . . . 75.23 109.451 170.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' A' ' 57' ' ' ARG . 22.1 t70 -52.86 -43.24 65.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.64 1.576 . . . . 75.33 112.617 175.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.433 ' HB2' HG11 ' A' ' 40' ' ' VAL . 43.8 t80 -58.79 -51.03 71.72 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.531 1.133 . . . . 73.45 111.611 175.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' B' ' 39' ' ' LEU . 88.5 mt -64.76 -35.1 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.066 0.946 . . . . 75.55 111.524 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 83.1 mt -65.41 -34.56 78.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.378 0.671 . . . . 73.14 111.517 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.74 -36.5 67.75 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.657 0.783 . . . . 64.4 111.309 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.82 -45.8 92.27 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.494 0.664 . . . . 75.51 111.382 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' NE2' HG22 ' A' ' 62' ' ' ILE . 40.6 mt-30 -85.8 -176.2 5.92 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 114.715 -1.13 . . . . 73.12 111.391 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.16 138.83 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 122.639 0.376 . . . . 73.41 110.618 172.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.565 1.52 0 C-N-CA 123.527 0.731 . . . . 65.15 110.703 -178.777 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.338 0.113 . . . . 73.23 110.784 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.16 -47.55 3.69 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 113.94 0.336 . . . . 61.24 113.94 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.41 0.684 . . . . 73.25 112.645 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -82.82 177.95 8.41 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.541 0.941 . . . . 74.35 113.541 -169.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -110.04 168.74 9.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.125 1.37 . . . . 74.41 110.488 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -128.54 164.11 23.53 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.119 0.567 . . . . 74.21 111.977 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -103.88 9.5 36.79 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.845 0.858 . . . . 74.5 111.721 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -78.34 157.83 29.0 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.316 0.647 . . . . 72.1 111.221 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -59.1 129.35 41.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.492 0.717 . . . . 71.55 111.258 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -148.98 154.36 39.25 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.249 0.619 . . . . 74.43 111.701 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -100.29 -172.3 2.19 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.201 1.001 . . . . 75.02 110.81 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.92 -21.37 36.4 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 116.226 -0.443 . . . . 64.15 113.959 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.97 -75.29 2.3 Favored Glycine 0 C--N 1.351 1.376 0 C-N-CA 123.144 0.402 . . . . 63.03 113.369 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 119.28 0.5 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.586 -0.605 . . . . 73.03 111.586 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -159.63 160.42 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.229 0.611 . . . . 65.11 110.972 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.27 86.02 0.08 OUTLIER Glycine 0 N--CA 1.479 1.558 0 CA-C-O 119.287 -0.73 . . . . 75.04 112.739 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.73 141.28 24.42 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 123.192 2.595 . . . . 74.24 112.533 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.02 137.69 33.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.408 0.683 . . . . 71.41 112.373 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -26.89 28.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.966 0.906 . . . . 73.23 112.1 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.39 134.56 45.49 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.696 0.398 . . . . 73.21 110.906 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.49 152.38 45.58 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.267 0.627 . . . . 74.44 111.132 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.64 -177.11 1.68 Allowed 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.963 2.442 . . . . 61.04 113.112 172.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt 61.66 15.62 7.06 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.627 1.171 . . . . 61.54 114.03 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -77.11 120.79 22.68 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.567 0.747 . . . . 73.34 110.574 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mp 62.35 98.37 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.052 1.341 . . . . 70.52 112.126 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -167.99 -64.08 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.371 1.068 . . . . 73.33 110.099 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 57.55 91.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.799 1.24 . . . . 75.22 110.618 -171.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.92 -30.84 69.32 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.847 0.859 . . . . 72.24 111.883 -175.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.616 ' HG2' HG22 ' A' ' 52' ' ' VAL . 43.0 mtp -73.21 -32.95 65.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.456 0.702 . . . . 64.41 112.168 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.56 -33.8 76.76 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.223 0.609 . . . . 73.21 111.17 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -59.28 -45.09 92.19 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.311 0.644 . . . . 75.25 110.499 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 m -66.57 -44.0 83.47 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.902 -1.045 . . . . 73.34 111.567 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.33 -44.68 95.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.295 1.038 . . . . 74.03 112.663 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 50.2 m -58.19 -45.7 87.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.707 0.803 . . . . 73.12 110.52 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.02 -32.4 70.55 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.808 1.243 . . . . 73.42 112.348 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.618 HD12 HD23 ' A' ' 55' ' ' LEU . 84.3 mt -58.32 -54.32 48.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.147 0.579 . . . . 75.12 110.439 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -55.14 -33.91 63.3 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.781 1.232 . . . . 74.23 112.577 -176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 34' ' ' SER . 24.2 mm-40 -67.96 -33.13 74.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.596 0.758 . . . . 74.52 111.578 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.475 ' HB3' HG23 ' A' ' 62' ' ' ILE . 91.8 mt -89.12 1.33 55.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.888 0.875 . . . . 74.41 112.45 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.7 t -110.05 100.3 43.0 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 123.297 0.639 . . . . 75.33 111.764 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -67.74 -8.45 22.47 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 123.131 2.554 . . . . 74.42 113.448 169.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.02 0.87 57.54 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 114.026 0.371 . . . . 60.32 114.026 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 97.6 t -81.13 117.39 67.92 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.779 0.832 . . . . 75.03 110.316 170.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.81 151.16 85.07 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.912 2.408 . . . . 63.32 113.167 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -72.71 99.52 2.61 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.464 0.706 . . . . 73.24 110.102 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.19 75.07 1.26 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-N 116.316 -0.402 . . . . 65.13 112.485 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -140.56 173.06 11.87 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.957 0.903 . . . . 73.01 111.524 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -120.59 112.8 19.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.812 0.845 . . . . 74.34 110.359 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.24 102.28 6.38 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.703 0.801 . . . . 74.44 110.317 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 34.9 m -79.36 -75.13 0.26 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.783 0.433 . . . . 74.32 110.841 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -147.01 -55.76 0.25 Allowed 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 123.474 0.71 . . . . 73.14 110.948 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.12 -45.21 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.33 0.652 . . . . 65.3 110.393 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.64 -36.4 83.71 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.693 -1.139 . . . . 74.05 111.146 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.413 ' O ' HG23 ' B' ' 58' ' ' VAL . 58.8 mt -59.49 -50.39 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.358 0.663 . . . . 75.43 110.704 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.403 HD22 HD11 ' A' ' 36' ' ' LEU . 95.9 mt -55.33 -42.37 73.69 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.281 0.632 . . . . 73.22 112.001 177.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -66.13 -35.88 81.68 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.975 0.91 . . . . 73.41 111.766 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -70.56 -34.28 72.05 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.888 0.475 . . . . 72.12 111.415 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.431 HG13 HG11 ' A' ' 58' ' ' VAL . 93.7 t -67.61 -44.77 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.016 0.526 . . . . 75.01 110.773 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.471 HD12 ' HD3' ' A' ' 35' ' ' ARG . 70.1 mt -60.55 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.932 -0.396 . . . . 75.41 109.932 174.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -56.22 -37.97 70.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.066 0.946 . . . . 65.42 111.892 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 40' ' ' VAL . 77.6 t80 -64.06 -46.7 83.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.946 0.898 . . . . 75.23 111.708 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 58' ' ' VAL . 52.8 mt -67.93 -39.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 120.859 0.361 . . . . 73.42 110.266 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.85 -32.43 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.186 0.994 . . . . 65.51 111.589 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.65 -38.03 89.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.136 0.974 . . . . 61.54 111.226 176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.48 -39.61 22.24 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.848 -0.615 . . . . 73.13 111.923 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -87.57 -67.34 0.83 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.48 0.712 . . . . 74.2 112.05 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.98 107.58 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.806 0.843 . . . . 74.51 111.53 -171.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 CA--C 1.569 1.678 0 C-N-CA 123.506 0.723 . . . . 73.43 112.459 178.038 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.735 0.302 . . . . 64.3 111.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.57 44.02 0.02 OUTLIER Glycine 0 N--CA 1.47 0.918 0 CA-C-N 115.676 -0.693 . . . . 71.31 111.588 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -63.87 127.32 30.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.959 0.903 . . . . 72.13 112.152 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -143.67 152.26 41.12 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.162 0.585 . . . . 74.21 110.125 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.45 -2.1 58.41 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.255 0.835 . . . . 75.53 113.255 -169.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -91.84 137.93 31.97 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.527 0.731 . . . . 74.04 111.128 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -125.38 114.23 18.59 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.838 0.855 . . . . 64.42 110.442 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -168.46 145.75 3.98 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.284 0.633 . . . . 73.54 111.313 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -152.59 -49.47 0.1 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.832 0.853 . . . . 72.24 110.876 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 63.11 23.38 13.91 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 124.192 0.997 . . . . 73.32 111.193 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.13 123.51 24.57 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.027 0.531 . . . . 64.41 110.845 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.73 108.94 0.33 Allowed Glycine 0 CA--C 1.534 1.259 0 CA-C-N 116.163 -0.472 . . . . 61.14 111.975 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.96 70.06 0.46 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 116.935 0.367 . . . . 54.41 112.766 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.84 -156.19 11.79 Favored Glycine 0 N--CA 1.478 1.498 0 C-N-CA 122.933 0.301 . . . . 70.43 113.232 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -80.04 120.65 24.49 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.158 0.583 . . . . 72.43 110.781 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.18 167.28 53.27 Favored Glycine 0 CA--C 1.541 1.668 0 CA-C-O 119.907 -0.385 . . . . 52.0 113.831 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -84.36 178.89 4.84 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 123.373 2.715 . . . . 70.44 113.451 -178.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.38 137.49 32.29 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.457 0.703 . . . . 75.02 110.539 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 110.29 8.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.798 0.439 . . . . 72.44 112.152 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.17 -170.45 1.16 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.844 0.858 . . . . 74.11 111.057 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.92 125.85 84.36 Favored Pre-proline 0 CA--C 1.564 1.489 0 O-C-N 122.205 -0.309 . . . . 72.0 110.391 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.31 81.19 1.24 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.995 2.464 . . . . 74.52 113.664 -171.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt 55.99 -87.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.054 1.342 . . . . 65.01 113.282 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -99.04 89.29 4.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.463 0.705 . . . . 74.31 111.082 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -20.13 62.17 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.678 0.791 . . . . 64.44 109.89 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.89 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.168 0.987 . . . . 70.11 110.737 171.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 63.84 62.51 0.89 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.801 1.24 . . . . 75.53 112.146 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.497 ' HA ' ' HD2' ' A' ' 31' ' ' HIS . 33.0 t70 -63.23 -30.98 72.02 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.88 0.472 . . . . 63.03 111.085 175.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.579 ' HG2' HG22 ' B' ' 52' ' ' VAL . 40.8 mtp -64.3 -35.66 81.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.785 -0.643 . . . . 73.21 111.288 177.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -64.01 -33.12 75.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.338 0.655 . . . . 74.01 111.508 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' HD2' ' HA ' ' A' ' 28' ' ' ASP . 93.4 m-70 -63.19 -37.97 89.33 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.883 0.473 . . . . 70.42 111.137 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -71.75 -43.93 64.96 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.659 0.784 . . . . 74.02 111.879 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -64.09 -33.12 75.05 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.832 0.853 . . . . 75.41 111.693 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -55.44 -47.53 75.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.724 0.809 . . . . 74.41 111.093 172.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -31.64 61.56 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.34 -0.845 . . . . 75.44 111.345 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.3 mt -62.92 -27.1 69.15 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.294 0.497 . . . . 72.14 111.504 174.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -68.66 -30.84 69.62 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.798 0.332 . . . . 75.21 111.555 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.78 -31.94 25.65 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.842 0.857 . . . . 52.35 111.034 -175.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HB3' HG23 ' B' ' 62' ' ' ILE . 57.7 mt -75.01 -19.45 60.06 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.083 0.953 . . . . 74.3 112.237 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.606 HG13 ' HG2' ' A' ' 57' ' ' ARG . 13.2 t -111.79 97.3 37.0 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 123.37 0.668 . . . . 74.42 109.925 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.38 -18.48 20.37 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.581 2.188 . . . . 61.55 113.143 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.82 4.77 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.051 0.358 . . . . 70.25 113.312 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.76 116.88 67.22 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.806 0.842 . . . . 65.43 109.561 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.89 125.66 19.72 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 122.957 2.438 . . . . 73.21 113.715 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -65.29 103.98 0.87 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.223 0.609 . . . . 75.41 110.519 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.24 33.59 1.11 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.101 -0.5 . . . . 63.4 113.061 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -117.64 166.8 11.96 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.487 0.715 . . . . 74.01 111.285 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -116.11 -49.3 2.7 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.252 0.621 . . . . 74.53 111.168 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD12 ' NH1' ' A' ' 57' ' ' ARG . 42.9 mt 66.73 135.35 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 125.158 1.383 . . . . 71.54 112.621 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 m -131.52 -74.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.881 -0.512 . . . . 74.54 111.706 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -126.96 -78.71 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.306 0.484 . . . . 64.52 112.306 -169.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.0 t -71.93 -33.43 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-O 121.673 0.749 . . . . 75.02 111.163 -171.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.2 -32.27 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.482 1.513 . . . . 73.4 111.577 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG23 HH22 ' A' ' 57' ' ' ARG . 66.9 mt -67.48 -48.34 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.547 0.739 . . . . 72.51 111.214 176.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.33 -47.79 82.6 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.358 0.663 . . . . 71.44 111.46 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.51 -39.78 92.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.976 0.91 . . . . 73.34 111.672 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.606 ' HG2' HG13 ' A' ' 40' ' ' VAL . 32.2 ttp-105 -65.75 -31.76 72.93 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.588 0.755 . . . . 75.12 111.724 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.2 -40.47 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.275 0.63 . . . . 71.24 110.905 173.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.69 -39.2 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 122.856 0.462 . . . . 75.25 110.502 173.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.22 -42.56 95.45 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.236 0.615 . . . . 75.44 111.715 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.494 ' HB2' HG11 ' A' ' 40' ' ' VAL . 79.0 t80 -58.96 -53.97 52.37 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.051 0.541 . . . . 72.52 111.759 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.29 -45.62 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.125 0.57 . . . . 72.44 111.709 -174.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.78 -29.62 68.04 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.379 0.511 . . . . 73.54 112.379 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.86 -38.04 89.26 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.001 0.52 . . . . 63.15 111.075 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -70.57 -40.52 73.28 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.045 -0.525 . . . . 73.22 111.519 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -78.99 -34.39 44.14 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.276 0.843 . . . . 72.31 113.276 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.49 130.16 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.046 0.938 . . . . 73.24 111.402 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.572 1.808 0 C-N-CA 122.986 0.514 . . . . 72.22 112.035 175.446 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 110.79 -0.078 . . . . 74.43 110.79 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.27 144.59 2.99 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 123.239 0.337 . . . . 73.41 113.92 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -88.07 -38.65 15.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.383 0.673 . . . . 71.12 110.203 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.77 98.94 8.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.979 0.912 . . . . 72.04 110.343 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.6 89.16 7.04 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.302 0.641 . . . . 74.53 110.479 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -94.45 114.59 26.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.287 0.635 . . . . 71.12 111.504 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -109.18 97.83 7.37 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.883 0.873 . . . . 75.02 108.717 169.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -77.24 -55.59 5.28 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.405 0.682 . . . . 73.22 110.775 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.6 t 68.81 121.37 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.267 1.427 . . . . 64.45 114.366 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -133.3 147.27 51.89 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.913 0.885 . . . . 73.21 110.635 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.73 103.77 1.84 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.885 0.874 . . . . 64.54 111.672 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.92 -24.42 4.58 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 115.046 0.779 . . . . 75.23 115.046 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.98 80.43 0.95 Allowed Glycine 0 C--N 1.353 1.472 0 CA-C-N 117.512 0.656 . . . . 71.32 113.321 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.78 0.21 Allowed Glycine 0 C--N 1.349 1.262 0 CA-C-O 120.223 -0.21 . . . . 72.31 113.468 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -92.09 144.2 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.634 0.374 . . . . 75.51 111.947 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.88 141.02 21.4 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-O 118.548 -1.14 . . . . 50.53 110.516 163.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.7 99.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.948 2.432 . . . . 71.03 113.244 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.43 105.32 5.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.04 0.936 . . . . 73.02 112.262 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.46 139.52 8.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.584 0.754 . . . . 75.23 110.388 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.27 52.96 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.198 0.599 . . . . 72.42 110.944 175.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.29 135.0 62.04 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.187 0.595 . . . . 71.32 111.053 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.04 120.18 4.11 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.873 2.382 . . . . 72.41 113.303 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt 66.34 166.65 0.21 Allowed 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 125.088 1.355 . . . . 73.13 113.924 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -160.58 170.86 20.01 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.93 0.892 . . . . 74.34 110.135 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.7 123.51 27.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.035 0.534 . . . . 75.22 111.148 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tt -153.26 109.62 3.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.716 0.806 . . . . 75.11 108.949 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.05 100.29 7.25 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.794 -0.817 . . . . 71.43 108.794 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.0 -34.8 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.106 0.962 . . . . 71.11 112.499 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.646 ' HG2' HG22 ' A' ' 52' ' ' VAL . 31.2 mtp -66.31 -45.31 80.78 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.056 0.543 . . . . 74.13 111.42 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.59 -34.07 77.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.569 0.748 . . . . 74.14 111.446 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -65.21 -36.31 83.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.587 0.755 . . . . 52.43 111.496 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.19 -42.34 72.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.761 0.424 . . . . 75.35 110.842 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.84 -30.36 70.06 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.203 1.001 . . . . 75.44 111.937 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 53.2 m -58.72 -48.98 79.3 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.243 0.617 . . . . 63.0 110.664 175.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -75.2 -27.65 59.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.115 0.566 . . . . 73.42 112.508 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.0 mt -69.14 -22.28 63.96 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.935 0.398 . . . . 75.21 110.769 168.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.45 ' NH2' HG23 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -88.37 -17.43 30.58 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.499 0.72 . . . . 75.11 111.451 173.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 34' ' ' SER . 15.5 mm-40 -88.82 -38.85 14.31 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.748 0.419 . . . . 74.02 111.791 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.37 -6.35 58.5 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.118 0.784 . . . . 64.44 113.118 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.98 102.41 50.55 Favored Pre-proline 0 N--CA 1.489 1.513 0 C-N-CA 122.872 0.469 . . . . 64.25 110.952 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.94 -3.84 12.46 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.822 2.348 . . . . 75.22 113.462 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.82 52.56 4.73 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.139 0.4 . . . . 71.03 113.602 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.45 HG23 ' NH2' ' B' ' 37' ' ' ARG . 60.3 t -104.26 136.46 19.18 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.876 1.27 . . . . 74.22 109.75 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.87 166.46 22.51 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.581 2.187 . . . . 75.33 113.441 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -71.95 94.8 1.5 Allowed 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 121.291 0.567 . . . . 75.34 109.756 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.34 -170.96 17.0 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 115.526 -0.761 . . . . 71.04 112.392 -167.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.8 m 65.96 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.808 1.243 . . . . 72.04 112.443 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.08 -13.79 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.959 0.904 . . . . 73.55 112.242 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 92.9 mt 74.1 108.57 0.07 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.908 1.683 . . . . 72.41 112.063 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.5 t -70.85 161.09 31.6 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.838 0.855 . . . . 62.42 111.219 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.41 -48.83 62.52 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 113.955 1.094 . . . . 73.32 113.955 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.579 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.9 t -74.69 -35.61 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 122.935 0.494 . . . . 75.05 111.212 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.26 84.59 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.464 0.706 . . . . 71.2 110.55 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.411 ' O ' HG21 ' B' ' 58' ' ' VAL . 83.8 mt -58.16 -49.75 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.102 0.561 . . . . 73.12 110.517 173.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 59' ' ' ILE . 96.0 mt -53.73 -50.55 65.71 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.282 0.633 . . . . 75.4 111.923 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.407 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -66.65 -34.9 78.89 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.165 0.986 . . . . 64.53 112.123 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -74.81 -33.48 62.21 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.585 0.754 . . . . 75.44 111.717 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.411 HG21 ' O ' ' B' ' 54' ' ' ILE . 72.8 t -67.3 -39.39 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.88 0.472 . . . . 75.34 110.594 172.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 55' ' ' LEU . 91.5 mt -57.57 -52.74 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.642 0.377 . . . . 74.1 110.285 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.46 -42.85 74.86 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.1 0.96 . . . . 73.4 112.42 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.89 -47.69 83.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.51 0.724 . . . . 72.5 112.051 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.524 HG23 ' HB3' ' A' ' 39' ' ' LEU . 65.1 mt -72.87 -26.67 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.354 0 CA-C-N 116.266 -0.425 . . . . 74.22 111.621 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 78.9 mt -60.94 -35.14 75.95 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.981 0.512 . . . . 64.03 111.456 172.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.72 -32.29 73.77 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.17 0.588 . . . . 74.52 111.361 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.46 -30.14 42.02 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.602 0.761 . . . . 75.01 111.905 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -107.78 -161.6 0.79 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.049 0.94 . . . . 71.13 111.228 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.1 120.48 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.288 0.635 . . . . 74.51 112.362 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.488 -0.768 . . . . 73.1 109.645 168.128 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.541 0.21 . . . . 74.32 111.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.14 41.66 4.24 Favored Glycine 0 N--CA 1.48 1.629 0 C-N-CA 122.952 0.31 . . . . 75.32 113.164 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -97.17 84.33 3.48 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.655 0.782 . . . . 73.41 111.449 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.05 62.03 0.66 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.275 -1.009 . . . . 74.01 108.275 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -79.28 -25.48 42.48 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.255 -0.884 . . . . 74.13 112.022 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -77.45 100.55 6.05 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 121.141 0.496 . . . . 74.02 110.488 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -91.47 -46.75 7.81 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.688 0.795 . . . . 63.11 110.614 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 61.65 78.81 0.27 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.889 1.276 . . . . 71.23 111.852 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 t -168.27 83.34 0.17 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.31 0.644 . . . . 71.42 111.047 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -165.58 121.85 1.38 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.197 0.599 . . . . 74.12 111.096 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -131.73 173.86 10.72 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.937 0.895 . . . . 75.31 110.173 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.81 -8.35 0.04 OUTLIER Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.633 -0.537 . . . . 73.42 113.447 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.24 91.52 0.54 Allowed Glycine 0 CA--C 1.541 1.703 0 CA-C-N 117.019 0.409 . . . . 73.33 113.381 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.44 110.17 0.56 Allowed Glycine 0 C--N 1.351 1.399 0 CA-C-O 119.905 -0.386 . . . . 61.33 113.345 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 26.5 ttpt 70.59 171.87 0.31 Allowed 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 125.086 1.354 . . . . 74.14 112.406 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.482 ' H ' ' HG2' ' A' ' 15' ' ' LYS . . . 161.04 -83.39 0.13 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.591 -0.604 . . . . 61.42 111.591 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG3' ' H ' ' B' ' 26' ' ' LEU . 27.1 Cg_endo -88.15 176.34 3.79 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 123.313 2.675 . . . . 74.24 113.874 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' B' ' 10' ' ' HIS . . . -165.33 65.55 0.12 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.013 1.325 . . . . 72.31 108.428 170.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.96 129.06 38.31 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.205 0.602 . . . . 75.03 112.514 -172.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 44.1 mt-10 -98.1 155.7 17.01 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.759 0.824 . . . . 73.03 111.61 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 129.5 82.56 Favored Pre-proline 0 CA--C 1.562 1.426 0 C-N-CA 123.239 0.616 . . . . 75.24 111.619 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.09 88.78 0.64 Allowed 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.815 2.343 . . . . 73.33 112.252 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.3 mt 69.78 155.78 0.14 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 125.229 1.412 . . . . 71.23 113.358 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -125.25 127.12 46.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.757 0.823 . . . . 73.2 109.329 172.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.62 -55.25 2.42 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.737 0.815 . . . . 74.5 111.345 -170.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 tt -167.96 -49.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 106.662 -1.607 . . . . 75.33 106.662 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 65.61 98.58 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 113.635 -1.62 . . . . 62.24 113.11 168.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.64 -28.05 69.65 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.929 -0.578 . . . . 74.32 110.491 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.554 ' HB3' HG23 ' B' ' 52' ' ' VAL . 3.3 ptp -64.73 -30.23 71.23 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 111.959 0.355 . . . . 73.21 111.959 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -64.18 -47.53 79.47 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.23 0.612 . . . . 75.33 109.838 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -63.68 -41.44 98.16 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.455 0.702 . . . . 75.3 111.265 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 88.6 m -64.23 -36.49 84.25 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.111 0.965 . . . . 63.42 112.318 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.15 -42.95 93.29 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.032 0.933 . . . . 74.42 111.672 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 57.3 m -64.88 -41.37 95.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.489 -0.778 . . . . 72.2 111.048 173.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.26 -29.21 67.96 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.382 1.073 . . . . 75.3 111.479 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD11 HD23 ' B' ' 55' ' ' LEU . 83.0 mt -60.82 -55.47 32.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.715 -0.846 . . . . 74.04 108.715 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 78.7 mtm180 -53.51 -27.3 24.8 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.916 0.886 . . . . 64.32 113.279 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' SER . 14.0 mm-40 -76.31 -36.29 58.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.102 0.477 . . . . 74.15 110.975 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 62' ' ' ILE . 98.0 mt -92.0 -23.25 19.6 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.775 0.83 . . . . 73.12 113.14 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 61' ' ' TYR . 90.8 t -93.81 109.17 39.85 Favored Pre-proline 0 N--CA 1.488 1.463 0 C-N-CA 123.786 0.834 . . . . 73.2 111.98 -173.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.62 -12.93 29.64 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.117 2.545 . . . . 74.53 112.832 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.05 67.23 Favored Glycine 0 C--N 1.361 1.955 0 C-N-CA 122.996 0.332 . . . . 74.25 112.817 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 40' ' ' VAL . 93.5 t -76.08 110.17 10.33 Favored Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.642 0.777 . . . . 74.41 109.092 165.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -178.12 1.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.742 2.295 . . . . 75.33 113.317 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -55.69 102.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.081 0.952 . . . . 74.42 112.269 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.69 -92.05 0.6 Allowed Glycine 0 C--N 1.35 1.361 0 CA-C-N 115.756 -0.656 . . . . 64.42 112.203 -174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 m 71.22 148.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.251 1.42 . . . . 75.1 113.075 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -95.89 97.36 9.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.683 0.793 . . . . 75.23 109.714 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 53' ' ' GLU . 88.7 mt -117.47 124.23 48.27 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.256 0.622 . . . . 75.13 111.155 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -77.98 177.85 7.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.471 0.709 . . . . 74.14 110.784 170.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.541 ' HA ' HE21 ' A' ' 51' ' ' GLN . 0.0 OUTLIER -58.32 -38.74 77.72 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.497 0.719 . . . . 75.34 112.515 -177.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.655 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.4 t -68.0 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-O 121.094 0.473 . . . . 65.44 110.462 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HB3' HD23 ' A' ' 49' ' ' LEU . 31.4 mm-40 -58.37 -36.01 72.84 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.5 1.12 . . . . 44.3 112.955 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.56 -46.88 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.315 0.246 . . . . 74.21 110.54 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -55.49 -45.38 77.01 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.481 0.712 . . . . 75.21 111.877 176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.74 -36.89 70.6 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.545 0.738 . . . . 74.23 111.985 -176.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.45 68.81 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.189 0.596 . . . . 74.15 111.639 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 40' ' ' VAL . 79.0 t -67.14 -44.14 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 122.586 0.355 . . . . 63.4 110.499 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 76.1 mt -58.92 -41.54 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.761 0.424 . . . . 74.42 110.736 176.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HA ' HD11 ' A' ' 63' ' ' LEU . 63.0 m-20 -59.54 -44.88 93.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.475 0.71 . . . . 71.32 111.562 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.522 ' HB2' HG11 ' A' ' 40' ' ' VAL . 49.8 t80 -56.85 -44.71 82.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.487 0.715 . . . . 74.4 111.786 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' B' ' 39' ' ' LEU . 39.9 mt -70.07 -28.6 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-N 116.42 -0.354 . . . . 71.25 110.546 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 97.5 mt -62.99 -37.48 87.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.871 0.469 . . . . 73.03 111.241 172.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.76 -39.3 88.22 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.076 0.55 . . . . 71.51 111.91 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 62' ' ' ILE . 55.3 mt -70.42 -45.95 64.89 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.957 0.903 . . . . 74.35 112.059 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.33 -59.14 2.93 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.338 -0.846 . . . . 72.31 111.641 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.11 147.62 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.739 0.816 . . . . 74.51 110.727 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 CA--C 1.572 1.81 0 CA-C-O 118.422 -0.799 . . . . 71.44 111.827 179.781 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.561 0.219 . . . . 73.52 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.65 95.72 0.17 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.837 -0.505 . . . . 72.33 111.837 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -95.14 -160.63 0.8 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.329 1.052 . . . . 73.44 111.074 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.78 111.12 2.64 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 123.65 0.78 . . . . 63.23 112.229 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 60.65 -80.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 125.326 1.45 . . . . 74.24 113.726 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 57.14 85.11 0.09 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.229 1.412 . . . . 70.42 110.494 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.16 168.42 14.08 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.751 0.82 . . . . 73.3 112.721 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -47.89 100.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.62 1.168 . . . . 73.02 113.222 -176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 49.0 m -87.52 100.72 12.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.796 0.838 . . . . 73.24 110.601 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.482 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.3 p80 -150.55 79.27 1.33 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.09 0.948 . . . . 73.43 111.392 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -78.86 -54.68 5.81 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.424 -0.584 . . . . 74.34 109.424 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.01 122.88 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.213 -0.903 . . . . 62.43 111.971 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.5 159.48 9.55 Favored Glycine 0 CA--C 1.535 1.287 0 CA-C-N 116.958 0.379 . . . . 73.23 113.463 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 15' ' ' LYS . . . 143.75 -162.24 27.73 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 119.649 -0.528 . . . . 72.34 112.501 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt 68.85 130.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.085 1.354 . . . . 71.25 112.495 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.1 -132.46 2.56 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-O 119.08 -0.845 . . . . 61.51 112.846 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.18 81.59 2.22 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 123.264 2.643 . . . . 61.52 113.004 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.97 116.79 2.84 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.633 -0.712 . . . . 72.43 110.797 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.91 -40.62 75.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.447 0.642 . . . . 75.51 110.34 170.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -158.46 137.35 11.31 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.8 1.24 . . . . 74.21 108.511 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -125.16 158.86 62.04 Favored Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 123.007 0.523 . . . . 71.53 112.394 -168.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' B' ' 26' ' ' LEU . 93.3 Cg_endo -80.88 115.53 3.05 Favored 'Trans proline' 0 CA--C 1.564 1.988 0 C-N-CA 122.516 2.144 . . . . 71.33 110.872 159.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 84.31 0.5 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.415 0.686 . . . . 65.13 112.376 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.0 t -170.7 -83.34 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.01 0.924 . . . . 71.44 110.101 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -115.6 139.67 49.88 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.784 0.834 . . . . 73.02 111.073 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.532 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 75.0 mt -152.78 -68.4 0.16 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.919 1.687 . . . . 74.32 107.828 -177.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 64.8 117.52 0.02 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.164 1.786 . . . . 62.41 112.261 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.48 -30.77 69.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.01 0.924 . . . . 71.32 111.389 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.655 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.6 mtp -62.8 -46.07 89.69 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.877 0.471 . . . . 64.12 111.06 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.65 -39.81 94.33 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.401 1.081 . . . . 71.11 111.659 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -69.46 -38.14 77.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.889 0.476 . . . . 73.23 110.553 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 99.1 m -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.158 0.583 . . . . 74.01 111.607 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -63.74 -36.39 83.7 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.095 0.958 . . . . 74.34 111.489 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -60.79 -51.3 69.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.4 0.68 . . . . 74.21 110.372 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -65.88 -28.03 68.65 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 113.42 0.896 . . . . 73.13 113.42 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.443 ' O ' HG23 ' B' ' 40' ' ' VAL . 84.0 mt -60.27 -54.47 45.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 109.092 -0.707 . . . . 73.42 109.092 169.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -63.13 -20.91 65.82 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.631 0.974 . . . . 75.15 113.631 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.28 -37.69 19.73 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.506 0.322 . . . . 71.43 111.029 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 62' ' ' ILE . 70.4 mt -91.31 -11.16 38.81 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.368 0.667 . . . . 75.02 112.573 -175.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 36' ' ' LEU . 58.2 t -99.91 105.72 36.58 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.337 0.655 . . . . 70.3 110.731 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.52 -2.5 12.29 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.497 2.132 . . . . 74.25 113.166 173.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.66 -12.65 80.6 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.884 -0.398 . . . . 75.41 114.063 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.15 119.48 49.43 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.553 0.741 . . . . 73.33 111.189 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.54 142.98 55.44 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.817 2.344 . . . . 71.13 112.444 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.88 132.41 40.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 72.22 110.543 -176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.99 -14.01 40.7 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-O 119.771 -0.461 . . . . 74.11 114.225 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -83.58 114.72 21.73 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.58 0.69 . . . . 73.04 110.974 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -76.16 120.71 21.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.018 0.527 . . . . 71.44 110.309 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.82 130.69 53.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.461 0.704 . . . . 74.12 111.542 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.9 t -79.43 172.66 13.48 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.092 0.557 . . . . 74.33 110.959 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -46.92 -48.34 21.4 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.57 1.148 . . . . 64.11 113.456 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 29' ' ' MET . 11.8 t -72.62 -40.3 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 114.959 -1.019 . . . . 74.43 111.212 -177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.35 -33.73 71.51 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.134 0.974 . . . . 74.52 111.912 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 90.6 mt -58.71 -56.36 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.59 0.756 . . . . 75.11 110.466 171.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.494 HD23 HD11 ' A' ' 36' ' ' LEU . 88.8 mt -60.55 -38.26 83.92 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.842 0.857 . . . . 71.14 112.605 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.479 HE21 HG13 ' B' ' 52' ' ' VAL . 74.5 mt-30 -57.5 -51.42 69.52 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.969 0.908 . . . . 73.22 111.492 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -75.44 -19.13 59.66 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.773 0.657 . . . . 72.43 112.773 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.457 ' O ' HG13 ' B' ' 62' ' ' ILE . 78.0 t -68.21 -43.82 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 109.683 -0.488 . . . . 74.31 109.683 167.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.36 -49.87 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.029 0.532 . . . . 73.51 110.567 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.16 -37.28 79.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.812 0.845 . . . . 73.32 112.662 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.412 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 79.7 t80 -58.92 -48.03 82.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.471 1.108 . . . . 71.41 111.138 175.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 39' ' ' LEU . 60.5 mt -69.98 -38.58 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.729 0.812 . . . . 64.35 111.247 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.12 -34.11 74.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.923 0.889 . . . . 74.44 112.696 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.86 -36.12 82.88 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.973 0.909 . . . . 75.22 111.222 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.2 mt -73.63 -41.83 62.26 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.632 0.773 . . . . 74.42 111.692 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.432 HE21 HG22 ' B' ' 62' ' ' ILE . 47.2 mt-30 -93.74 -175.65 3.81 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.348 -0.842 . . . . 65.52 112.839 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.24 132.61 32.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 123.79 0.836 . . . . 73.21 112.355 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.493 1.701 0 C-N-CA 124.614 1.166 . . . . 73.4 110.6 175.002 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.258 0.075 . . . . 72.0 111.01 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.92 140.01 11.07 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.276 0.36 . . . . 74.43 113.028 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.8 145.92 43.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.469 0.707 . . . . 73.15 110.842 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -71.6 88.93 0.96 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.335 0.654 . . . . 74.11 111.625 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -108.99 135.09 50.73 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.614 0.766 . . . . 72.53 109.959 172.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -76.35 120.25 21.34 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.428 0.691 . . . . 64.22 110.855 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -126.42 124.43 40.14 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.914 0.886 . . . . 74.55 109.44 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -119.03 86.08 2.48 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.556 0.742 . . . . 75.42 109.936 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.9 p -167.79 151.05 5.98 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.457 0.703 . . . . 62.44 111.388 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -86.47 121.67 29.35 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.483 0.713 . . . . 75.43 110.52 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtt -83.66 129.19 34.95 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.775 0.83 . . . . 75.25 111.68 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 112.45 3.76 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-N 116.49 -0.323 . . . . 74.15 113.588 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.49 79.08 1.86 Allowed Glycine 0 CA--C 1.537 1.455 0 CA-C-N 116.724 0.262 . . . . 64.2 112.89 177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 176.53 53.92 Favored Glycine 0 CA--C 1.541 1.718 0 N-CA-C 114.181 0.432 . . . . 63.1 114.181 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -78.56 174.18 11.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.447 0.699 . . . . 74.51 111.817 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.75 -112.51 0.97 Allowed Glycine 0 CA--C 1.537 1.454 0 CA-C-O 119.197 -0.779 . . . . 51.13 112.545 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.18 157.44 33.73 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.828 2.352 . . . . 75.35 113.765 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.89 -72.31 0.66 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.641 0.776 . . . . 52.13 111.049 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.77 120.22 3.81 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.631 0.772 . . . . 72.13 110.022 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -135.03 118.44 16.8 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.714 0.805 . . . . 70.54 110.747 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.87 148.47 48.41 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 123.728 0.811 . . . . 73.45 110.567 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.13 129.09 33.42 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.043 2.495 . . . . 73.52 112.889 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.21 73.03 0.93 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.793 0.837 . . . . 72.35 110.764 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -159.35 160.8 35.45 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.642 1.177 . . . . 60.42 109.942 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.83 146.57 53.56 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.088 0.471 . . . . 75.01 111.3 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.51 -176.98 3.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.356 0.662 . . . . 71.55 110.565 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.68 60.68 5.38 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.192 0.597 . . . . 74.13 110.627 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.03 -43.25 60.86 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 123.903 0.881 . . . . 75.45 112.099 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.492 ' HE1' HG21 ' B' ' 52' ' ' VAL . 26.2 ttm -65.38 -42.96 92.16 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.569 -1.196 . . . . 74.44 112.62 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.71 -38.92 77.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.847 0.459 . . . . 74.41 111.582 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -57.94 -44.42 86.95 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.455 0.702 . . . . 73.32 110.8 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' B' ' 55' ' ' LEU . 99.0 m -63.74 -45.85 88.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.35 -0.841 . . . . 72.43 112.053 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -65.93 -36.16 82.59 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.646 0.778 . . . . 74.31 112.519 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.6 m -65.79 -43.79 87.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.696 0.398 . . . . 62.12 110.308 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -31.46 69.65 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.734 -0.667 . . . . 74.12 111.316 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' O ' HG21 ' A' ' 40' ' ' VAL . 69.8 mt -58.41 -54.84 42.44 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.44 -0.578 . . . . 62.23 109.44 171.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.2 -25.9 59.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.291 1.036 . . . . 75.04 112.624 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.57 -44.32 35.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.721 0.409 . . . . 64.21 111.036 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB3' HG22 ' B' ' 62' ' ' ILE . 91.0 mt -76.11 -17.49 59.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.173 0.589 . . . . 72.03 111.974 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG11 ' HB2' ' A' ' 61' ' ' TYR . 59.9 t -100.56 101.49 15.45 Favored Pre-proline 0 N--CA 1.486 1.339 0 C-N-CA 123.608 0.763 . . . . 64.43 111.406 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 13.0 Cg_exo -71.59 -10.09 26.12 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.149 2.566 . . . . 74.25 112.559 170.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.23 -13.48 53.97 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 123.437 0.542 . . . . 43.0 114.272 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG21 ' HG2' ' A' ' 57' ' ' ARG . 24.4 t -81.65 114.39 49.63 Favored Pre-proline 0 CA--C 1.562 1.408 0 C-N-CA 123.304 0.642 . . . . 73.1 110.029 170.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.38 -178.81 1.6 Allowed 'Trans proline' 0 CA--C 1.563 1.947 0 C-N-CA 122.473 2.115 . . . . 72.04 113.501 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -68.52 110.53 4.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.541 0.737 . . . . 73.32 112.053 -173.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.64 22.48 75.25 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 115.056 0.783 . . . . 42.32 115.056 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.2 m -73.63 111.0 8.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.152 0.581 . . . . 65.42 111.582 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -81.78 110.5 17.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.771 0.828 . . . . 73.43 111.26 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.03 146.15 42.4 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.869 0.867 . . . . 75.23 110.63 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.6 p -71.65 164.64 25.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.888 -0.412 . . . . 74.43 109.888 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.89 -31.18 62.61 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.114 0.566 . . . . 74.04 111.911 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.597 HG23 ' HG2' ' B' ' 29' ' ' MET . 2.9 t -69.55 -47.72 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.271 0.629 . . . . 53.42 110.298 176.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.1 -26.49 65.84 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.302 -0.863 . . . . 75.31 112.535 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 58' ' ' VAL . 68.8 mt -65.3 -48.35 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.339 -0.615 . . . . 75.24 109.339 172.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.53 -45.07 69.65 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.339 0.656 . . . . 75.31 111.681 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.42 HE21 HG13 ' A' ' 52' ' ' VAL . 69.6 mt-30 -65.29 -36.93 85.6 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.184 0.994 . . . . 74.5 112.158 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' HG2' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -70.57 -34.47 72.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.804 0.442 . . . . 75.32 110.631 178.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 62' ' ' ILE . 86.6 t -69.13 -39.86 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.432 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.75 -49.75 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.276 0.63 . . . . 73.41 110.339 173.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.0 -39.99 83.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.961 0.904 . . . . 75.34 111.547 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' HB2' HG11 ' A' ' 40' ' ' VAL . 63.9 t80 -65.23 -46.25 81.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.636 0.775 . . . . 72.42 112.52 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 58' ' ' VAL . 48.1 mt -68.61 -33.23 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.568 -0.53 . . . . 74.02 109.568 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.86 -35.9 75.75 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.207 0.603 . . . . 74.44 111.775 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 61' ' ' TYR . 24.0 t70 -61.17 -32.39 72.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.322 0.649 . . . . 71.44 111.51 172.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.79 -30.52 22.96 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.632 0.773 . . . . 74.24 112.514 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 12.6 mm-40 -90.12 -65.55 1.01 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.376 0.67 . . . . 72.53 111.528 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.84 108.23 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.81 0.844 . . . . 72.34 110.443 -172.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 CA--C 1.569 1.693 0 C-N-CA 123.124 0.57 . . . . 73.31 111.365 -176.818 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 112.276 0.473 . . . . 71.14 112.276 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.32 55.99 2.42 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 122.691 0.186 . . . . 64.32 113.518 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -85.01 53.86 2.89 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.568 0.747 . . . . 74.5 110.926 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.412 ' HB3' ' HD2' ' B' ' 6' ' ' HIS . 71.2 m80 -106.96 110.83 23.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.811 0.845 . . . . 73.42 110.643 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -87.55 54.89 3.29 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.154 0.978 . . . . 74.33 111.507 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.412 ' HD2' ' HB3' ' B' ' 4' ' ' HIS . 87.0 m-70 -111.34 38.65 2.51 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.855 -1.066 . . . . 74.43 108.702 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -106.39 17.75 22.94 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.665 1.186 . . . . 73.31 112.048 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -85.77 56.47 3.98 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.763 0.825 . . . . 71.13 112.23 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.8 t -158.13 152.25 24.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.779 0.832 . . . . 75.21 110.495 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -131.7 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.55 0.74 . . . . 62.32 110.231 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 26.4 ttt 54.14 90.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.882 1.273 . . . . 74.23 111.807 -174.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 -142.18 4.55 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 116.22 -0.446 . . . . 72.32 113.963 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.68 111.51 0.47 Allowed Glycine 0 C--N 1.344 0.982 0 CA-C-N 116.739 0.269 . . . . 62.1 112.938 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.98 24.76 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 122.735 0.207 . . . . 74.24 112.935 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -74.72 99.62 3.76 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.366 0.666 . . . . 74.05 110.421 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.51 167.27 53.88 Favored Glycine 0 CA--C 1.541 1.687 0 CA-C-O 119.658 -0.523 . . . . 74.44 113.633 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.46 165.46 29.09 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 123.045 2.497 . . . . 72.31 113.534 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.24 159.01 42.52 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.972 0.909 . . . . 75.13 110.991 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.7 -177.06 0.16 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.744 1.217 . . . . 65.32 113.789 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -122.48 159.47 27.59 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.862 0.865 . . . . 74.35 109.891 170.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.46 152.93 75.76 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 122.977 0.511 . . . . 71.45 110.567 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.13 142.36 91.76 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.703 2.269 . . . . 72.54 111.749 166.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.65 81.1 0.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.458 0.647 . . . . 74.34 110.667 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.3 p -164.83 109.1 0.91 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.192 0.997 . . . . 75.1 110.571 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.16 112.69 18.74 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.699 -0.852 . . . . 73.05 108.699 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -156.57 -55.57 0.08 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.613 -0.884 . . . . 64.12 108.613 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 63.36 84.95 0.14 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.807 1.243 . . . . 71.44 112.041 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.54 -28.89 67.38 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.787 0.835 . . . . 72.04 111.325 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.597 ' HG2' HG23 ' A' ' 52' ' ' VAL . 26.3 mtp -65.42 -46.89 78.19 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.612 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.2 -29.16 69.94 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.519 0.728 . . . . 75.42 111.181 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -62.54 -47.25 84.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.726 0.81 . . . . 74.54 110.628 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.94 -40.49 87.58 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.386 -0.825 . . . . 64.22 111.419 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -62.61 -36.58 83.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.04 0.936 . . . . 74.2 111.983 176.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 32.4 t -65.19 -40.81 94.74 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.199 0.6 . . . . 73.13 110.938 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -71.75 -30.97 66.17 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.73 0.412 . . . . 73.34 111.847 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.435 ' O ' HG23 ' B' ' 40' ' ' VAL . 83.7 mt -60.66 -47.36 86.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.649 0.379 . . . . 73.52 110.397 171.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -53.33 -27.41 23.17 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.932 0.893 . . . . 74.13 113.154 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 34' ' ' SER . 21.8 mm-40 -84.68 -36.37 21.95 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.883 0.873 . . . . 75.11 110.459 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.417 ' HB3' HG22 ' A' ' 62' ' ' ILE . 81.9 mt -85.02 -6.95 59.32 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 63.11 113.232 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 36' ' ' LEU . 47.1 t -112.44 95.14 30.29 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.024 0.529 . . . . 72.21 111.062 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.83 -8.1 18.65 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.848 2.365 . . . . 72.52 113.716 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 7.11 31.8 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.58 0.592 . . . . 55.13 114.58 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.89 116.9 64.45 Favored Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 123.368 0.667 . . . . 74.55 110.19 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.75 172.53 6.84 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.412 2.741 . . . . 73.4 113.946 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -71.71 84.71 0.9 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.299 0.64 . . . . 71.35 110.206 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.9 122.59 0.65 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 116.003 -0.544 . . . . 72.13 112.262 -172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -160.5 175.19 13.02 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.474 0.71 . . . . 72.54 110.913 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -111.96 89.96 3.21 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 122.048 0.927 . . . . 74.44 110.903 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -105.42 100.55 10.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.752 0.821 . . . . 74.53 110.34 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -82.71 -80.94 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.562 0.345 . . . . 63.11 110.796 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -143.87 -56.07 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.236 0.614 . . . . 71.01 110.393 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.492 HG21 ' HE1' ' A' ' 29' ' ' MET . 13.9 t -65.25 -36.99 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 123.085 0.554 . . . . 71.35 110.361 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.12 -40.76 77.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.739 0.816 . . . . 74.04 111.491 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -65.19 -48.79 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.314 -0.857 . . . . 65.14 110.45 177.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 32' ' ' CYS . 90.1 mt -57.0 -49.58 75.33 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.352 0.661 . . . . 73.32 112.086 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.97 -38.45 91.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.397 1.079 . . . . 74.43 111.768 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -71.56 -33.62 69.26 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.28 0.632 . . . . 74.45 111.638 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.402 HG11 HG13 ' A' ' 58' ' ' VAL . 68.3 t -67.16 -46.36 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.978 0.511 . . . . 74.2 110.456 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.28 -49.11 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.024 0.53 . . . . 73.44 110.642 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.38 -37.68 81.54 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.371 0.669 . . . . 63.3 111.56 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.96 -51.61 68.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.774 0.83 . . . . 71.24 111.122 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.424 HG22 ' HB3' ' A' ' 39' ' ' LEU . 69.9 mt -65.27 -46.09 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 115.1 -0.954 . . . . 74.45 111.323 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.27 -33.06 72.92 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.709 0.803 . . . . 72.45 111.865 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.12 -31.03 67.25 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.518 0.727 . . . . 73.01 111.155 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.0 mt -77.36 -43.7 31.96 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.008 0.523 . . . . 75.44 111.632 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.36 -38.64 81.63 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.656 0.782 . . . . 61.43 111.799 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.9 t 60.36 96.61 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.52 0 C-N-CA 124.955 1.302 . . . . 74.45 112.132 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 CA--C 1.578 2.023 0 C-N-CA 124.985 1.314 . . . . 75.02 112.181 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.734 0.778 . . . . 73.32 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.45 -35.07 73.36 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 114.469 -1.241 . . . . 63.45 111.281 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.45 ' HB2' HG22 ' B' ' 52' ' ' VAL . 22.4 ttm -53.91 -44.56 70.66 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.899 1.28 . . . . 73.43 112.413 173.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -65.49 -40.48 93.11 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 122.997 0.519 . . . . 73.01 111.411 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -61.27 -43.61 98.59 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.127 0.489 . . . . 74.32 111.192 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.44 -47.64 78.3 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.426 -0.806 . . . . 62.15 112.275 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.36 -32.28 73.05 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.232 0.827 . . . . 74.53 113.232 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -63.11 -52.68 61.62 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.824 0.449 . . . . 75.02 110.634 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -65.8 -32.27 73.7 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.051 0.941 . . . . 62.32 112.727 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.9 mt -60.81 -55.01 38.23 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.937 0.495 . . . . 73.04 111.032 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.29 -18.68 51.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.665 0.987 . . . . 73.51 113.665 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.32 -34.56 21.83 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.038 0.535 . . . . 74.52 110.887 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.5 mt -78.46 -29.53 46.94 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.326 0.65 . . . . 72.13 111.509 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' LEU . 57.3 t -86.58 109.93 27.86 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 123.858 0.863 . . . . 72.42 110.228 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.64 -10.71 25.47 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.932 2.421 . . . . 72.53 113.92 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.65 29.08 3.36 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 115.424 0.929 . . . . 52.31 115.424 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.29 124.26 56.21 Favored Pre-proline 0 N--CA 1.484 1.229 0 CA-C-N 117.436 0.618 . . . . 63.32 109.91 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -71.28 139.78 35.79 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.771 2.314 . . . . 52.4 112.752 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.619 ' H ' ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -65.07 114.48 4.64 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.117 0.567 . . . . 74.01 111.535 177.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.76 16.87 14.33 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 116.217 -0.447 . . . . 70.11 113.87 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -114.84 140.09 49.23 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 117.603 0.701 . . . . 73.43 111.53 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.33 -43.8 11.87 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.83 -0.804 . . . . 75.13 108.83 173.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HH11 ' A' ' 57' ' ' ARG . 76.2 mt 69.99 141.38 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 125.634 1.574 . . . . 64.14 112.095 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 p -80.38 162.54 24.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.746 0.418 . . . . 74.41 111.272 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.55 -38.19 68.99 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.196 0.998 . . . . 73.11 112.843 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' B' ' 29' ' ' MET . 6.6 t -74.99 -41.1 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 122.985 0.514 . . . . 65.13 111.698 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.08 -41.34 68.11 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.265 0.626 . . . . 65.43 112.18 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 63.4 mt -56.4 -51.09 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 O-C-N 123.932 0.77 . . . . 74.03 110.775 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.39 -50.65 64.7 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.058 0.943 . . . . 74.24 112.7 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.12 -44.07 97.45 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.937 -1.029 . . . . 73.04 110.725 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.463 HH11 HD13 ' A' ' 49' ' ' LEU . 28.6 ttm180 -75.6 -24.07 56.52 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.618 1.167 . . . . 73.3 112.092 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' ILE . 53.6 t -70.66 -39.11 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.301 0.641 . . . . 51.21 109.757 171.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' HE ' ' B' ' 35' ' ' ARG . 77.5 mt -62.31 -45.68 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.797 0.439 . . . . 73.04 110.962 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -55.7 -43.75 76.74 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.188 0.595 . . . . 64.44 111.451 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -56.94 -46.65 81.92 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.123 0.969 . . . . 75.12 112.092 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' VAL . 62.5 mt -71.65 -27.26 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 122.752 0.421 . . . . 74.1 111.706 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 95.0 mt -59.36 -43.7 92.81 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.027 0.531 . . . . 73.42 111.701 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.82 -33.81 76.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 62.14 112.334 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.03 -35.08 66.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.241 0.616 . . . . 74.44 111.566 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 123.615 0.766 . . . . 73.03 111.507 -179.399 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.536 0.684 . . . . 41.34 109.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.94 -31.12 68.41 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.199 1.0 . . . . 63.21 113.001 -164.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.537 ' HG2' HG22 ' A' ' 52' ' ' VAL . 32.6 mtp -60.42 -46.77 88.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.875 0.47 . . . . 74.34 111.439 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.484 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 31.2 m-80 -72.68 -26.51 61.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.1 0.96 . . . . 62.13 112.047 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.26 -40.46 97.48 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.862 0.465 . . . . 74.03 110.964 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.28 -41.5 80.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.012 0.525 . . . . 61.22 111.447 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 17.8 m-85 -64.27 -36.47 84.21 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.02 0.928 . . . . 73.14 112.653 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 44.4 t -65.81 -45.68 81.44 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.809 0.444 . . . . 65.35 110.187 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.742 ' HE ' HG21 ' A' ' 59' ' ' ILE . 25.0 ttp180 -65.51 -26.04 67.73 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.867 0.867 . . . . 75.44 112.104 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' B' ' 40' ' ' VAL . 90.6 mt -66.77 -51.55 54.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.988 0.515 . . . . 75.55 110.609 167.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.565 HH21 HD11 ' B' ' 54' ' ' ILE . 99.6 mtt180 -56.15 -32.48 64.31 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.054 0.941 . . . . 62.23 112.908 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.5 mm-40 -59.67 -37.11 77.87 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.686 0.794 . . . . 74.32 110.983 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.41 -3.12 47.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.88 0.872 . . . . 60.45 112.661 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 36' ' ' LEU . 45.6 t -101.06 106.16 43.02 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.867 0.467 . . . . 74.02 110.894 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.57 13.35 2.71 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.449 2.766 . . . . 62.42 113.111 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.49 -15.09 45.01 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.382 0.515 . . . . 61.13 114.247 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.9 131.6 56.65 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.362 0.665 . . . . 72.14 111.014 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.14 -69.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 123.083 2.522 . . . . 75.21 113.834 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -179.13 -76.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.906 0.882 . . . . 54.14 109.621 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.01 66.0 0.4 Allowed Glycine 0 C--N 1.353 1.484 0 N-CA-C 111.514 -0.634 . . . . 52.52 111.514 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -102.59 172.05 7.08 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.647 0.779 . . . . 71.25 111.074 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -74.09 92.82 2.2 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.252 0.621 . . . . 74.1 110.905 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -114.25 102.97 10.63 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.366 0.667 . . . . 64.41 110.813 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 83.3 p -71.12 164.62 25.25 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.912 -0.403 . . . . 73.14 109.912 165.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.58 -29.66 59.44 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.021 0.528 . . . . 62.13 111.64 172.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 29' ' ' MET . 43.7 t -72.44 -51.82 27.01 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 124.001 0.92 . . . . 63.34 112.331 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.52 -26.85 66.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.269 0.47 . . . . 72.42 112.269 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.565 HD11 HH21 ' B' ' 37' ' ' ARG . 87.5 mt -58.45 -50.3 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 122.483 0.313 . . . . 73.43 110.495 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.99 -48.53 70.3 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.741 0.816 . . . . 75.43 111.722 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.75 -45.09 95.43 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.247 1.019 . . . . 73.32 111.556 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -75.02 -25.09 58.5 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.482 0.713 . . . . 71.13 112.363 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.24 -38.1 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.719 -0.474 . . . . 71.33 109.719 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 73.8 mt -62.47 -47.46 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 N-CA-C 110.209 -0.293 . . . . 63.3 110.209 172.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.54 -39.26 73.09 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.76 0.824 . . . . 73.3 111.748 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.3 -46.73 89.07 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.026 -0.988 . . . . 73.42 111.507 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.76 -27.74 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.551 0 CA-C-N 115.663 -0.698 . . . . 61.24 111.127 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 95.4 mt -67.87 -29.34 68.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.389 0.676 . . . . 73.3 111.333 176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.54 -36.85 76.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.276 0.63 . . . . 74.45 110.64 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -79.15 -33.99 43.65 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.65 0.78 . . . . 73.01 112.572 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -87.6 -33.88 18.71 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.891 0.877 . . . . 75.45 111.665 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t 57.55 81.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.109 1.364 . . . . 70.32 111.103 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 124.111 0.965 . . . . 63.15 110.695 -176.273 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 120.869 0.366 . . . . 72.03 111.7 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -54.62 -43.05 71.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.652 0.781 . . . . 73.21 110.046 170.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.594 ' HG2' HG22 ' B' ' 52' ' ' VAL . 38.6 mtp -58.58 -49.12 78.62 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.526 -0.761 . . . . 72.22 111.576 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -70.97 -29.67 65.73 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.296 0.638 . . . . 73.54 111.646 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.68 -39.83 95.29 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.414 0.686 . . . . 71.24 110.346 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.23 -38.56 81.99 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.78 0.832 . . . . 72.41 112.088 173.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.94 -30.09 67.61 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.031 0.932 . . . . 64.13 112.908 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 m -58.36 -47.29 84.27 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.22 0.608 . . . . 71.32 111.322 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -71.95 -25.2 61.79 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.142 0.793 . . . . 75.23 113.142 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' B' ' 55' ' ' LEU . 67.8 mt -66.99 -19.73 65.76 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.742 0.417 . . . . 62.44 111.765 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -89.91 -30.61 17.74 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.898 -0.501 . . . . 72.52 111.902 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' SER . 8.0 mm-40 -72.33 -44.45 62.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.679 0.752 . . . . 73.33 111.288 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' B' ' 62' ' ' ILE . 87.5 mt -87.27 -1.49 57.94 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.788 -1.096 . . . . 72.32 112.76 -172.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 61' ' ' TYR . 77.1 t -111.39 105.34 56.84 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.515 0.726 . . . . 64.24 111.221 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.49 -15.66 30.85 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.169 2.579 . . . . 44.13 113.343 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.25 -26.6 64.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.451 0.548 . . . . 73.1 114.245 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.85 124.06 62.21 Favored Pre-proline 0 CA--C 1.565 1.556 0 C-N-CA 123.323 0.649 . . . . 74.14 110.594 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.42 -173.75 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.686 2.257 . . . . 64.44 113.731 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -60.77 103.8 0.29 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.48 0.712 . . . . 73.12 111.057 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.25 -109.83 3.06 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.885 -0.598 . . . . 42.05 112.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 m 64.66 115.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.115 1.366 . . . . 52.24 113.204 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -78.88 94.78 5.26 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.471 0.708 . . . . 74.3 110.138 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.72 134.79 41.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.769 0.827 . . . . 73.24 111.495 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -64.96 157.08 29.14 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.842 0.457 . . . . 44.11 109.997 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.47 -28.24 69.15 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.758 0.423 . . . . 74.45 112.116 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.5 t -72.13 -47.4 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 122.992 0.517 . . . . 73.5 110.653 171.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -55.77 -34.49 65.29 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.376 0.67 . . . . 63.24 111.913 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.8 mt -59.48 -50.36 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.351 0.66 . . . . 74.42 110.94 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.704 HD22 HD11 ' B' ' 36' ' ' LEU . 89.0 mt -57.55 -45.37 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.29 0.636 . . . . 62.22 111.67 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -34.2 77.67 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.153 0.981 . . . . 72.14 112.116 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.47 87.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.29 0.636 . . . . 63.0 111.061 172.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' ILE . 61.6 t -67.76 -39.8 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 123.174 0.59 . . . . 74.55 111.283 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.9 mt -58.52 -57.41 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.056 0.542 . . . . 75.44 110.373 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.61 -27.6 69.34 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.348 0.659 . . . . 73.31 112.657 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.581 ' HB2' HG13 ' A' ' 40' ' ' VAL . 24.1 t80 -61.47 -55.57 29.77 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.408 0.683 . . . . 73.23 111.362 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' B' ' 39' ' ' LEU . 45.9 mt -68.5 -31.24 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 C-N-CA 122.707 0.403 . . . . 73.32 110.951 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.27 -42.9 99.17 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.39 0.676 . . . . 71.41 111.535 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.13 -36.56 84.01 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.43 0.692 . . . . 74.41 111.823 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 83.4 mt -64.36 -47.12 80.51 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.19 0.596 . . . . 74.02 112.228 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 . . . . . 0 N--CA 1.488 1.464 0 CA-C-N 115.405 -0.816 . . . . 54.02 112.53 -168.74 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.41 0.624 . . . . 74.43 111.986 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.07 -38.02 64.83 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 114.808 -1.087 . . . . 63.32 111.493 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.593 ' HG2' HG22 ' A' ' 52' ' ' VAL . 44.6 mtp -65.59 -37.11 85.7 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.516 -0.765 . . . . 74.42 112.003 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -65.35 -36.13 83.08 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.319 0.648 . . . . 73.42 110.892 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -65.83 -37.23 85.68 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.948 0.499 . . . . 73.01 110.958 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -67.48 -37.46 82.92 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.081 0.552 . . . . 75.22 111.952 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.38 -35.11 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.895 0.878 . . . . 75.52 111.795 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.1 t -60.63 -48.77 80.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.243 0.617 . . . . 43.53 110.675 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.21 -36.28 77.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.055 0.942 . . . . 71.32 112.565 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.704 HD11 HD22 ' A' ' 55' ' ' LEU . 80.5 mt -58.18 -55.87 29.34 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.781 -0.452 . . . . 63.32 109.781 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.28 -21.88 65.57 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.427 0.899 . . . . 73.14 113.427 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.02 -34.29 50.71 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.338 0.589 . . . . 74.25 110.483 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 62' ' ' ILE . 97.1 mt -87.85 -18.87 28.29 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.141 0.976 . . . . 74.55 112.314 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 36' ' ' LEU . 46.0 t -105.34 100.53 26.22 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 123.717 0.807 . . . . 72.44 110.767 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.2 -7.46 16.15 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.822 2.348 . . . . 74.24 113.124 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.32 19.62 8.18 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.815 0.686 . . . . 75.35 114.815 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.78 131.82 85.59 Favored Pre-proline 0 CA--C 1.565 1.541 0 C-N-CA 123.471 0.708 . . . . 55.35 110.57 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.432 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 12.2 Cg_endo -53.86 156.48 12.2 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.323 2.682 . . . . 73.54 114.564 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.5 108.03 0.89 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.331 1.053 . . . . 74.53 112.435 -170.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.84 2.42 61.22 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 114.921 0.729 . . . . 60.43 114.921 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 26.1 m -89.83 128.04 36.09 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.265 0.626 . . . . 55.54 110.536 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -78.59 -29.89 46.35 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.37 0.668 . . . . 62.24 112.12 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.48 121.31 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.851 1.261 . . . . 73.43 110.842 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.0 m -66.51 -64.05 0.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.153 0.427 . . . . 54.52 112.153 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -161.31 -55.65 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.43 0.53 . . . . 71.03 112.43 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.594 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.0 t -73.42 -37.58 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 121.722 0.772 . . . . 72.34 110.69 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.46 -29.35 67.74 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.135 -1.393 . . . . 70.44 111.422 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 58' ' ' VAL . 61.8 mt -65.71 -50.14 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.333 0.653 . . . . 73.42 110.63 172.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 36' ' ' LEU . 98.4 mt -59.59 -48.82 80.16 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.299 0.64 . . . . 63.3 112.283 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.41 -34.79 78.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.616 0.767 . . . . 71.11 111.72 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.85 -40.58 96.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.412 0.685 . . . . 74.54 111.085 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 54' ' ' ILE . 73.4 t -67.58 -45.18 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.728 0.811 . . . . 74.44 111.387 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.92 -53.14 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 122.898 0.479 . . . . 71.12 110.687 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.25 -40.18 81.11 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.95 0.9 . . . . 62.33 111.83 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 70.2 t80 -56.95 -50.58 72.19 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.416 1.087 . . . . 74.01 111.248 176.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 39' ' ' LEU . 77.9 mt -65.01 -40.9 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.782 0.833 . . . . 72.32 111.578 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.52 -41.65 98.99 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.411 0.684 . . . . 74.11 111.306 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.4 -29.84 70.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.956 0.902 . . . . 75.11 111.844 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 76.1 mt -75.39 -54.8 6.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.917 0.487 . . . . 44.4 111.579 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -101.32 -90.67 0.33 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.243 0.617 . . . . 71.32 111.664 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 m -109.88 120.09 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.736 0.814 . . . . 61.32 111.32 -168.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 118.885 -0.579 . . . . 74.12 111.867 -179.194 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 112.867 0.691 . . . . 71.13 112.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.3 -39.59 68.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.386 0.674 . . . . 71.53 110.065 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.643 ' HG2' HG22 ' B' ' 52' ' ' VAL . 46.7 mtp -62.07 -36.56 82.04 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.265 -0.879 . . . . 72.34 111.691 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.99 -41.36 87.44 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.728 0.811 . . . . 73.31 111.788 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -73.03 -30.51 63.79 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.824 0.45 . . . . 72.24 111.636 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.3 m -65.61 -41.56 92.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.975 0.51 . . . . 63.43 110.944 171.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -68.88 -33.29 73.54 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.441 1.096 . . . . 75.43 111.99 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 44.3 t -62.34 -48.63 78.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.32 0.648 . . . . 53.3 110.246 172.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.154 0.982 . . . . 71.55 113.108 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 58' ' ' VAL . 96.9 mt -55.48 -55.24 34.04 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.703 0.627 . . . . 74.32 110.147 169.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.38 -27.08 65.65 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.803 1.241 . . . . 61.23 112.754 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' SER . 13.6 mm-40 -71.04 -41.19 71.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.239 0.542 . . . . 74.01 110.926 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.4 -23.36 37.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.153 -0.931 . . . . 75.24 111.622 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 36' ' ' LEU . 48.5 t -92.41 109.06 35.7 Favored Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 123.637 0.775 . . . . 51.15 110.853 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -83.42 -5.62 10.96 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.593 2.196 . . . . 64.43 113.043 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.72 49.84 4.3 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 123.147 0.403 . . . . 73.54 113.494 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.85 112.44 55.91 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.984 0.914 . . . . 71.23 109.735 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 14.2 Cg_exo -69.61 122.54 9.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.643 2.229 . . . . 64.32 111.825 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -72.09 119.27 16.04 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.373 0.669 . . . . 60.33 110.87 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.95 -15.66 33.64 Favored Glycine 0 N--CA 1.479 1.507 0 CA-C-N 116.253 -0.431 . . . . 53.33 113.083 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 44' ' ' PRO . 54.4 m -73.37 -49.74 25.66 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.839 0.856 . . . . 63.2 112.238 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 67.75 130.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.071 1.348 . . . . 44.35 111.865 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt -109.56 132.11 54.44 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.271 0.629 . . . . 74.11 111.457 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.6 p -83.06 176.36 9.3 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 123.023 0.529 . . . . 62.31 109.707 166.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.13 -34.38 71.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 117.966 0.348 . . . . 74.34 111.56 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' B' ' 29' ' ' MET . 16.4 t -70.46 -46.16 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.869 0.468 . . . . 73.44 111.157 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 42.1 mm-40 -61.3 -38.48 86.96 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.295 0.638 . . . . 73.33 111.808 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.1 mt -61.75 -47.73 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.204 0.602 . . . . 63.14 110.783 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -49.52 -46.22 48.24 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.169 0.588 . . . . 74.23 111.511 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.83 -40.21 83.8 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.135 -0.939 . . . . 72.14 112.196 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 13.0 mmp_? -67.36 -32.77 73.93 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 122.985 0.514 . . . . 72.35 111.929 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 36' ' ' LEU . 91.5 t -69.18 -41.32 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 123.261 0.624 . . . . 71.54 110.715 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 95.6 mt -57.75 -50.67 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 122.583 0.353 . . . . 62.33 110.543 173.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -54.38 -46.1 72.97 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.628 0.771 . . . . 71.15 111.908 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.45 -48.41 79.25 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.416 1.086 . . . . 72.05 112.167 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' B' ' 39' ' ' LEU . 64.5 mt -67.94 -30.41 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 122.792 0.437 . . . . 73.21 110.705 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 96.9 mt -65.87 -33.11 75.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.649 0.379 . . . . 71.35 111.494 173.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.3 -34.64 77.8 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.105 0.562 . . . . 72.22 111.902 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.62 -33.4 72.59 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.258 0.623 . . . . 71.34 111.472 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 . . . . . 0 N--CA 1.481 1.108 0 C-N-CA 123.846 0.858 . . . . 63.25 111.349 -179.636 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 114.48 1.289 . . . . 74.34 114.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.89 -34.38 28.07 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 124.038 0.935 . . . . 65.42 110.91 169.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.2 mtp -64.56 -45.71 85.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.967 0.907 . . . . 61.35 111.58 175.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.5 -42.78 99.73 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.393 1.077 . . . . 54.33 112.254 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -64.24 -36.09 82.96 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.861 0.464 . . . . 73.43 111.831 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.53 -39.82 80.99 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 122.868 0.467 . . . . 52.3 111.624 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' TYR . . . . . 0.433 ' HD1' HG21 ' B' ' 54' ' ' ILE . 14.8 m-85 -66.38 -34.42 77.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.805 0.842 . . . . 62.21 112.072 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -57.95 -51.89 67.76 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.304 0.642 . . . . 71.42 110.318 173.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 2.3 mmp_? -61.66 -41.1 97.07 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.008 -0.996 . . . . 71.14 112.517 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 40' ' ' VAL . 85.5 mt -56.67 -51.3 69.27 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 117.988 0.358 . . . . 70.23 110.731 174.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -55.5 -31.2 61.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.634 0.773 . . . . 74.24 112.398 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.02 -31.79 34.45 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.917 0.487 . . . . 61.32 111.542 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' ' 62' ' ' ILE . 95.8 mt -83.61 -15.81 47.64 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.834 0.854 . . . . 51.14 111.986 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.3 t -86.11 108.33 16.8 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 109.613 -0.514 . . . . 73.51 109.613 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.5 16.1 2.04 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 123.027 2.485 . . . . 71.45 113.787 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.97 36.0 2.61 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 113.72 0.248 . . . . 25.22 113.72 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.92 115.68 65.71 Favored Pre-proline 0 CA--C 1.561 1.401 0 C-N-CA 123.136 0.575 . . . . 64.54 110.69 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.03 140.95 51.43 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.679 2.253 . . . . 65.44 112.378 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 106.7 2.47 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.218 0.607 . . . . 62.53 110.429 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.59 -22.07 6.6 Favored Glycine 0 N--CA 1.477 1.41 0 CA-C-N 116.076 -0.511 . . . . 54.01 112.714 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -74.76 100.7 4.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.604 0.762 . . . . 72.01 110.813 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.3 101.17 3.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.416 0.686 . . . . 71.25 110.732 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.92 108.3 6.66 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.061 0.544 . . . . 73.4 110.993 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.24 163.21 13.2 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.207 0.603 . . . . 73.02 110.731 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -49.89 -47.21 52.13 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.07 0.948 . . . . 61.42 113.058 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 29' ' ' MET . 9.1 t -72.58 -41.88 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.796 -0.638 . . . . 72.12 111.142 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -59.85 -29.21 68.13 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.043 0.937 . . . . 73.32 113.243 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.433 HG21 ' HD1' ' B' ' 33' ' ' TYR . 95.7 mt -59.93 -52.6 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.191 0.596 . . . . 54.53 109.99 170.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -41.2 89.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 63.23 111.422 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.26 -41.87 94.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.947 0.899 . . . . 74.12 111.938 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -69.14 -32.72 72.27 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.996 0.518 . . . . 73.51 111.837 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 65.7 t -73.12 -48.09 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 122.745 0.418 . . . . 73.02 111.696 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -58.55 -50.12 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 123.096 0.558 . . . . 63.13 110.424 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.79 -36.37 78.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.345 1.058 . . . . 64.22 112.181 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.42 -51.02 71.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.114 0.966 . . . . 74.12 111.597 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.36 -35.75 68.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 123.111 0.564 . . . . 55.05 111.285 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 68' ' ' VAL . 86.6 mt -67.85 -29.78 69.01 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.687 0.795 . . . . 73.51 112.045 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.37 -36.02 78.58 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.082 0.553 . . . . 63.53 110.911 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.92 -48.68 43.74 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.529 0.68 . . . . 74.45 110.757 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.43 -160.83 0.68 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.385 1.074 . . . . 72.41 110.445 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 m -94.78 138.95 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 O-C-N 121.894 -0.504 . . . . 52.23 110.771 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.653 HG22 ' HB3' ' B' ' 63' ' ' LEU . 49.1 t . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.051 0.54 . . . . 75.22 110.298 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 113.0 0.741 . . . . 74.03 113.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -55.67 -42.6 75.34 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.835 0.854 . . . . 74.3 112.225 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ttm -60.55 -49.16 78.67 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.76 0.824 . . . . 71.43 111.689 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -66.97 -31.75 72.54 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.478 0.711 . . . . 73.03 111.754 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -65.9 -51.07 61.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.43 1.092 . . . . 73.13 109.88 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 72.6 m -59.36 -42.92 92.68 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.493 -1.23 . . . . 75.11 111.672 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.02 -39.06 93.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.76 0.824 . . . . 74.32 113.079 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 m -60.07 -47.77 84.5 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.988 0.423 . . . . 72.0 110.491 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.81 -36.74 83.06 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.217 -0.901 . . . . 74.11 112.348 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 40' ' ' VAL . 62.7 mt -60.19 -52.47 65.18 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.838 0.455 . . . . 64.44 110.676 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HG3' HG11 ' A' ' 43' ' ' VAL . 44.3 ttt180 -55.22 -27.35 45.48 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.355 1.062 . . . . 73.23 112.618 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.91 -40.39 20.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.053 0.941 . . . . 73.25 111.417 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' B' ' 62' ' ' ILE . 96.3 mt -79.22 -7.95 58.64 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.563 0.745 . . . . 64.45 112.303 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' A' ' 61' ' ' TYR . 58.2 t -104.31 98.99 15.53 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.645 0.778 . . . . 73.43 111.058 175.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.22 142.66 50.95 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.403 2.069 . . . . 75.02 110.851 167.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.01 -21.4 15.78 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-N 116.454 -0.339 . . . . 73.04 112.428 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 37' ' ' ARG . 87.6 t -67.12 121.42 78.24 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.639 0.376 . . . . 71.33 110.139 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 112.98 3.47 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.529 2.153 . . . . 65.32 112.227 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -69.18 91.72 0.53 Allowed 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 109.269 -0.641 . . . . 74.2 109.269 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 149.25 -35.08 1.07 Allowed Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.216 -0.902 . . . . 72.04 111.206 -170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -81.46 130.72 35.15 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.402 0.681 . . . . 52.54 109.941 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -67.6 -44.56 77.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.844 0.683 . . . . 74.42 112.844 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt 62.15 -167.03 0.21 Allowed 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 124.099 0.96 . . . . 73.24 111.955 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.66 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 47.2 t -146.57 172.24 13.87 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.134 0.974 . . . . 64.03 109.782 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.814 0.846 . . . . 73.03 111.699 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' B' ' 29' ' ' MET . 3.4 t -72.24 -42.05 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 115.584 -0.734 . . . . 64.32 110.884 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.66 ' HB2' ' H ' ' A' ' 50' ' ' SER . 25.5 mm-40 -58.94 -35.32 72.92 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.649 0.78 . . . . 61.11 112.597 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.5 mt -61.27 -49.59 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 110.029 -0.36 . . . . 75.35 110.029 173.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.37 -45.44 69.21 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.523 0.729 . . . . 73.42 111.848 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -60.09 -49.1 78.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.475 0.71 . . . . 70.35 110.868 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -61.18 -33.79 74.01 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.986 0.914 . . . . 73.23 112.177 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.6 t -68.29 -42.98 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.17 0.588 . . . . 75.14 110.838 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.95 -47.69 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.739 0.416 . . . . 74.01 110.57 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.97 -42.98 77.11 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.68 0.792 . . . . 61.44 111.24 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.53 ' HB2' HG13 ' A' ' 40' ' ' VAL . 64.7 t80 -56.03 -50.04 72.03 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.239 1.016 . . . . 75.42 111.503 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 58' ' ' VAL . 67.8 mt -62.94 -38.42 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.293 0 C-N-CA 123.274 0.63 . . . . 73.02 111.06 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 -36.49 83.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.264 0.626 . . . . 71.3 112.031 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.04 -31.03 64.16 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.393 0.677 . . . . 73.32 111.962 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 78.6 mt -64.01 -36.25 83.38 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.316 0.579 . . . . 71.53 111.057 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 CA--C 1.553 1.075 0 CA-C-N 115.215 -0.902 . . . . 72.02 111.132 177.857 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 111.94 0.348 . . . . 61.21 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -51.61 -33.45 33.13 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.279 0.632 . . . . 63.31 111.369 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' A' ' 52' ' ' VAL . 25.0 mtp -58.53 -49.87 75.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 114.884 -1.053 . . . . 75.3 110.957 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -62.92 -38.04 89.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.973 0.909 . . . . 74.31 111.764 -176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -67.63 -34.35 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.91 0.484 . . . . 63.53 111.491 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.74 -38.63 87.04 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.319 -0.4 . . . . 70.13 111.085 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -67.75 -29.78 69.08 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.173 0.989 . . . . 73.02 112.01 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 55.8 m -61.41 -46.47 90.0 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.281 0.632 . . . . 64.4 109.998 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.3 -43.19 95.49 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.363 0.665 . . . . 75.33 112.463 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.15 -17.86 64.99 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.001 0.52 . . . . 71.32 112.131 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -86.24 -39.16 16.85 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.229 0.612 . . . . 64.21 111.549 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 34' ' ' SER . 63.2 mm-40 -86.67 -39.4 16.1 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 112.896 0.702 . . . . 71.05 112.896 -170.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -76.11 -19.9 58.12 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.635 0.774 . . . . 60.02 111.596 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -93.32 109.76 42.3 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 123.252 0.621 . . . . 72.41 109.424 174.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.79 14.0 1.98 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.44 114.389 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.52 1.17 61.84 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-O 119.675 -0.514 . . . . 70.1 114.09 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -81.43 124.92 79.92 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-N 117.206 0.503 . . . . 61.25 112.159 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.33 143.73 48.96 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.862 2.375 . . . . 74.23 112.433 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -69.23 96.09 0.81 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.437 0.695 . . . . 73.35 109.456 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.87 102.91 1.0 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 110.927 -0.869 . . . . 43.21 110.927 -169.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -153.6 174.92 13.83 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.613 0.765 . . . . 73.34 111.84 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -102.54 28.53 5.94 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.013 0.925 . . . . 70.12 112.442 -171.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.9 115.59 14.67 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.758 0.651 . . . . 73.52 112.758 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' SER . . . . . 0.418 ' OG ' ' HG2' ' B' ' 53' ' ' GLU . 54.7 p -84.8 175.88 8.87 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.458 -0.571 . . . . 60.33 109.458 166.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.0 -35.75 75.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.11 0.564 . . . . 74.34 111.832 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' B' ' 56' ' ' GLN . 40.3 t -68.22 -46.43 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 122.742 0.417 . . . . 71.01 110.563 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 15.2 mm-40 -58.75 -38.19 77.89 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.584 0.754 . . . . 70.42 111.953 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.535 HG12 HH21 ' B' ' 57' ' ' ARG . 84.9 mt -59.62 -48.04 88.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.608 0.763 . . . . 71.34 111.34 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.5 -43.6 71.95 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.567 0.747 . . . . 62.04 112.233 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 52' ' ' VAL . 67.5 mt-30 -60.02 -48.87 79.91 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.321 -0.854 . . . . 55.0 111.025 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.535 HH21 HG12 ' B' ' 54' ' ' ILE . 37.3 mtm105 -60.25 -38.39 83.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.633 0.773 . . . . 61.45 112.476 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.412 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -64.67 -39.73 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.166 0.586 . . . . 74.34 110.855 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.02 -50.04 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 122.779 0.432 . . . . 61.24 110.504 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.55 -34.49 74.23 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.379 0.672 . . . . 64.23 112.132 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.405 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 81.9 t80 -65.25 -49.27 70.29 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.804 0.842 . . . . 74.14 110.875 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 39' ' ' LEU . 84.3 mt -62.35 -54.9 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 123.434 0.693 . . . . 65.21 110.687 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.12 -29.69 68.78 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.938 0.895 . . . . 70.41 112.68 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.76 -45.67 91.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.521 0.728 . . . . 63.51 111.288 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.5 mt -65.72 -39.53 91.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.204 0.602 . . . . 72.41 111.352 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 14.9 mm100 -61.98 -58.07 9.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.027 0.931 . . . . 62.13 112.386 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.77 160.52 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.447 0.699 . . . . 72.32 112.244 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.857 0.863 . . . . 39.15 110.429 177.744 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.946 0.403 . . . . 74.0 111.977 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.54 -38.39 77.71 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.737 0.815 . . . . 74.45 110.794 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.633 ' HB3' HG22 ' B' ' 52' ' ' VAL . 9.2 ptm -67.46 -35.33 78.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.029 -0.987 . . . . 72.44 112.132 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.96 -38.17 79.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.748 0.819 . . . . 74.03 110.588 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.38 -41.64 98.79 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.824 -0.626 . . . . 72.11 110.75 171.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -62.53 -39.02 92.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.348 0.659 . . . . 72.14 111.347 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -65.24 -35.3 80.63 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.938 0.895 . . . . 75.24 112.65 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -61.74 -43.84 98.08 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.927 -0.579 . . . . 44.45 110.405 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -31.56 60.73 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.38 0.672 . . . . 61.3 112.214 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.1 mt -62.07 -45.12 94.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.032 0.378 . . . . 70.41 110.225 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -60.45 -19.45 56.45 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.339 0.866 . . . . 74.23 113.339 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.21 -39.41 15.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.167 0.587 . . . . 65.1 110.392 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.9 mt -72.66 -25.74 61.39 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.755 0.822 . . . . 72.23 111.936 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.2 t -94.5 108.66 38.23 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.711 0.804 . . . . 75.12 110.494 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.79 -9.26 17.0 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.514 2.143 . . . . 61.4 113.036 176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.03 9.08 58.43 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.501 0.56 . . . . 74.3 114.501 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.68 120.77 81.0 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 117.556 0.678 . . . . 74.23 110.847 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.23 144.42 80.95 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.669 2.246 . . . . 73.03 112.609 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -68.75 130.18 42.06 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.399 0.68 . . . . 70.04 111.574 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 40.47 94.57 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.461 0.476 . . . . 62.24 113.424 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 m -128.89 112.0 13.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.456 0.702 . . . . 73.14 110.643 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.17 95.57 4.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.237 0.615 . . . . 71.44 109.868 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.8 mt -77.11 113.62 15.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.952 -0.567 . . . . 60.23 110.163 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 42.0 t -60.93 158.31 13.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.772 0.429 . . . . 63.54 110.558 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.19 -34.93 33.84 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.187 0.81 . . . . 72.11 113.187 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.668 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.9 t -72.15 -42.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.5 0.72 . . . . 64.23 111.027 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 50' ' ' SER . 6.6 mm-40 -70.26 -27.29 64.32 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.846 0.858 . . . . 73.2 111.512 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.9 mt -64.04 -48.17 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.85 0.86 . . . . 62.34 110.056 172.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 36' ' ' LEU . 95.1 mt -52.81 -48.11 67.16 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.401 0.68 . . . . 74.34 111.793 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.18 -43.91 97.77 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.951 -1.022 . . . . 71.21 111.408 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -33.81 76.66 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.512 0.725 . . . . 72.33 111.44 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ILE . 93.1 t -68.11 -36.92 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 123.391 0.676 . . . . 71.32 110.785 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.39 -46.38 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 122.848 0.459 . . . . 73.51 110.422 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.88 -50.12 71.51 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 122.973 0.509 . . . . 72.51 111.303 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.78 -49.47 70.84 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.236 1.014 . . . . 74.21 112.26 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.7 mt -69.54 -37.06 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.005 0.522 . . . . 60.04 111.233 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.83 -30.77 71.06 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 112.534 0.568 . . . . 73.44 112.534 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.4 -31.04 63.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.094 0.558 . . . . 63.23 111.815 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.96 -29.89 50.08 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.33 0.586 . . . . 74.34 111.637 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 124.541 1.137 . . . . 74.1 110.129 177.385 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 CA--C 1.559 1.304 0 CA-C-O 121.267 0.556 . . . . 71.23 111.574 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.78 -39.5 58.74 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.734 1.213 . . . . 72.3 112.728 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.668 ' HG2' HG22 ' A' ' 52' ' ' VAL . 38.7 mtp -71.54 -40.7 69.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.01 -0.995 . . . . 50.14 112.169 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -64.3 -36.07 82.91 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.924 0.889 . . . . 75.5 111.915 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.4 -42.34 77.8 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.366 0.667 . . . . 74.5 111.191 173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.0 m -72.39 -39.9 67.62 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.421 0.689 . . . . 73.13 111.502 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.58 -36.21 73.61 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.83 0.852 . . . . 71.5 112.285 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 52.3 m -56.52 -49.29 75.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.516 0.726 . . . . 73.42 111.737 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -74.28 -26.33 60.13 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.36 0.504 . . . . 72.24 112.36 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.502 HD11 HD22 ' A' ' 55' ' ' LEU . 89.5 mt -58.84 -49.73 76.65 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.839 -0.43 . . . . 73.14 109.839 169.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -58.11 -28.62 64.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.848 0.684 . . . . 75.24 112.848 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.9 mm-40 -81.96 -43.33 18.2 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.313 0.645 . . . . 63.52 110.353 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.2 mt -78.25 -16.11 58.13 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.095 -0.957 . . . . 71.2 112.056 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 41.4 t -103.66 96.64 9.23 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.701 0.8 . . . . 75.53 110.542 174.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.41 -3.26 13.6 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.552 2.168 . . . . 73.32 112.583 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.71 -4.93 77.55 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.903 -0.387 . . . . 63.35 113.82 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' B' ' 57' ' ' ARG . 26.9 t -79.21 122.32 84.1 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 117.187 0.493 . . . . 74.21 110.045 171.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.489 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 20.3 Cg_endo -71.73 110.56 2.92 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 121.484 1.456 . . . . 64.12 110.394 169.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.42 91.14 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.641 0.776 . . . . 73.0 110.937 -170.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.32 20.95 1.71 Allowed Glycine 0 N--CA 1.48 1.633 0 CA-C-N 115.713 -0.676 . . . . 53.33 113.21 -175.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.509 HG23 ' HG ' ' B' ' 49' ' ' LEU . 9.7 t -87.57 -17.32 32.25 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.708 0.803 . . . . 43.43 112.513 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 61.94 78.76 0.28 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.423 1.089 . . . . 74.14 112.069 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.509 ' HG ' HG23 ' B' ' 47' ' ' THR . 76.2 mt -101.79 142.73 32.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.499 0.72 . . . . 63.23 110.922 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 t -85.18 175.6 8.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.845 0.458 . . . . 72.4 110.147 168.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -48.83 -37.85 20.56 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.666 1.186 . . . . 75.15 113.02 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.4 t -72.04 -47.4 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 123.426 0.69 . . . . 71.22 111.797 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' B' ' 49' ' ' LEU . 1.7 mp0 -67.28 -26.2 66.43 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.187 0.595 . . . . 74.43 112.187 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.87 -51.73 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.772 -0.455 . . . . 75.03 109.772 168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.52 -42.66 96.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.716 0.807 . . . . 62.32 111.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.84 -45.49 92.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.473 0.709 . . . . 74.44 110.874 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.709 ' HG2' HG22 ' B' ' 43' ' ' VAL . 0.3 OUTLIER -66.6 -34.49 78.01 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.552 0.741 . . . . 60.4 111.486 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.14 -41.85 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.387 0.675 . . . . 72.31 110.665 173.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.54 -48.06 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 122.71 0.404 . . . . 62.01 110.431 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -57.44 -41.86 81.33 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.546 0.738 . . . . 64.43 111.774 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.49 -51.1 70.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.572 1.149 . . . . 75.2 111.69 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 39' ' ' LEU . 87.9 mt -61.72 -47.42 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.363 0.665 . . . . 64.24 110.474 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -32.92 73.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.77 0.828 . . . . 73.31 112.441 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.38 -39.45 87.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.799 0.84 . . . . 72.53 110.799 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.12 -36.2 27.74 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.66 0.784 . . . . 72.13 111.81 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.59 -37.88 73.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.14 0.976 . . . . 74.25 112.084 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t 57.39 87.41 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.498 0 C-N-CA 124.421 1.089 . . . . 71.12 111.26 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 123.645 0.778 . . . . 73.11 111.113 -173.127 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 CA--C 1.563 1.471 0 N-CA-C 112.628 0.603 . . . . 75.25 112.628 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.09 -31.55 70.13 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.47 0.708 . . . . 73.04 111.151 174.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.631 ' HG2' HG22 ' B' ' 52' ' ' VAL . 34.4 mtp -66.5 -46.31 76.67 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.118 -0.946 . . . . 71.05 110.74 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 33' ' ' TYR . 45.2 t30 -63.62 -32.28 73.7 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.709 0.803 . . . . 73.52 111.779 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -62.41 -42.81 99.72 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 122.967 0.507 . . . . 75.22 110.265 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.86 -34.2 71.41 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.147 0.579 . . . . 63.21 111.656 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 30' ' ' ASN . 20.0 m-85 -64.58 -29.94 70.96 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.239 1.016 . . . . 60.22 111.501 176.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 42.4 t -58.15 -54.6 45.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.258 0.623 . . . . 73.21 110.656 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -62.01 -38.51 88.92 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.597 0.759 . . . . 71.43 112.759 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 55' ' ' LEU . 84.2 mt -56.21 -55.72 29.69 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.515 -0.55 . . . . 63.01 109.515 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG3' HG11 ' A' ' 43' ' ' VAL . 27.1 ttp180 -53.7 -31.7 48.99 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.598 1.159 . . . . 64.32 112.674 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' SER . 25.9 mm-40 -75.56 -37.55 59.86 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.055 0.455 . . . . 63.12 110.949 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.79 -12.06 43.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.773 0.829 . . . . 71.54 112.03 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 58' ' ' VAL . 97.4 t -103.31 110.77 64.37 Favored Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 123.609 0.764 . . . . 35.12 112.101 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.84 -17.71 32.45 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 123.215 2.61 . . . . 60.44 113.303 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.35 -27.93 66.33 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 114.047 0.379 . . . . 64.44 114.047 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG11 ' HG3' ' A' ' 37' ' ' ARG . 42.6 t -85.47 114.71 57.98 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 109.039 -0.726 . . . . 74.31 109.039 170.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.14 75.57 4.56 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.286 1.991 . . . . 64.44 113.16 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 59.5 -152.83 0.39 Allowed 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.136 0.975 . . . . 63.11 111.909 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.27 59.52 4.33 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 114.224 0.45 . . . . 74.02 114.224 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -76.22 -13.72 60.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.989 0.915 . . . . 44.44 110.589 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 69.8 87.31 0.12 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.204 1.402 . . . . 64.33 112.115 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 53' ' ' GLU . 88.9 mt -99.79 149.48 23.31 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.239 1.015 . . . . 63.3 109.163 172.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -72.44 -73.85 0.18 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 117.72 0.236 . . . . 61.13 111.448 -171.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.07 -54.23 0.07 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.514 0.561 . . . . 74.42 112.514 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.75 -34.81 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.667 0.387 . . . . 61.25 111.08 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.9 mm-40 -53.43 -46.49 69.83 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.048 0.939 . . . . 72.41 111.802 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.5 mt -58.26 -54.0 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 O-C-N 123.705 0.628 . . . . 61.02 110.25 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 96.4 mt -51.02 -47.89 61.56 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.156 0.983 . . . . 71.12 113.349 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.72 -42.52 93.29 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.575 0.75 . . . . 71.04 111.595 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -75.43 -23.58 56.98 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.578 0.751 . . . . 60.23 112.304 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' ILE . 88.0 t -68.1 -45.97 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 122.78 0.432 . . . . 74.22 109.857 172.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 32' ' ' CYS . 68.3 mt -55.49 -46.43 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.257 0.623 . . . . 62.42 110.061 172.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.2 -42.97 78.02 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.358 1.063 . . . . 72.31 112.067 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.81 -46.53 87.56 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.237 0.615 . . . . 74.12 111.682 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.1 mt -68.71 -37.03 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 C-N-CA 122.526 0.33 . . . . 32.1 111.21 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.14 -29.38 68.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.425 0.69 . . . . 73.33 111.5 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.21 77.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 122.934 0.494 . . . . 63.53 111.244 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.38 -37.48 25.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.744 0.818 . . . . 75.42 112.138 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 . . . . . 0 N--CA 1.493 1.697 0 C-N-CA 123.649 0.78 . . . . 75.22 112.87 -171.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.661 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 112.694 0.627 . . . . 73.14 112.694 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.09 -41.44 71.57 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.039 0.936 . . . . 71.3 111.564 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ttm -66.24 -41.39 90.09 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.666 1.186 . . . . 63.13 112.282 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 37.0 t-20 -70.78 -29.06 65.16 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.251 0.62 . . . . 61.21 111.257 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.615 0.721 . . . . 71.34 110.509 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 59' ' ' ILE . 75.5 m -69.22 -46.23 67.9 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.867 -1.06 . . . . 64.02 111.735 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.59 -30.74 70.01 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.786 0.835 . . . . 71.35 112.365 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.526 ' HA ' ' HE ' ' B' ' 37' ' ' ARG . 23.2 t -62.65 -52.83 61.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.914 0.486 . . . . 74.05 110.572 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.35 -31.41 72.56 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.868 0.692 . . . . 63.11 112.868 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 40' ' ' VAL . 73.1 mt -58.38 -52.59 64.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 110.172 -0.307 . . . . 41.43 110.172 172.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.526 ' HE ' ' HA ' ' B' ' 34' ' ' SER . 75.8 mtm180 -59.28 -27.23 65.65 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.895 0.878 . . . . 74.22 112.837 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.33 -32.55 20.95 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.489 0.716 . . . . 71.34 111.208 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.4 mt -87.26 -17.79 31.72 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.855 0.862 . . . . 54.04 112.286 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' B' ' 57' ' ' ARG . 58.1 t -93.39 106.64 21.31 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 123.275 0.63 . . . . 73.4 110.399 174.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.25 -10.48 16.3 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.822 2.348 . . . . 75.31 113.182 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.51 25.28 4.52 Favored Glycine 0 CA--C 1.54 1.627 0 N-CA-C 115.114 0.806 . . . . 71.4 115.114 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.03 120.54 70.74 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 123.333 0.653 . . . . 72.04 110.07 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.56 175.01 5.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.764 2.309 . . . . 72.1 113.9 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -88.3 105.94 17.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.229 0.612 . . . . 74.32 111.626 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.97 48.61 5.69 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 116.522 -0.308 . . . . 70.4 112.752 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -104.89 135.3 46.49 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.438 0.695 . . . . 73.44 111.874 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -102.19 91.82 4.47 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.728 0.811 . . . . 64.33 110.57 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.31 122.34 41.36 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.955 0.502 . . . . 65.44 111.204 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -73.42 172.84 10.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.355 0.662 . . . . 64.33 111.198 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.0 -46.43 21.7 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.784 1.234 . . . . 75.05 112.933 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.631 HG22 ' HG2' ' A' ' 29' ' ' MET . 3.4 t -71.63 -40.97 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 115.278 -0.874 . . . . 63.13 110.481 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.17 -26.59 66.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.731 0.812 . . . . 70.21 112.603 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.422 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.3 mt -67.14 -44.89 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.798 0.439 . . . . 71.14 110.155 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 36' ' ' LEU . 93.0 mt -56.73 -48.06 78.61 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.176 0.591 . . . . 75.02 111.019 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -57.44 -44.5 84.78 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.217 1.007 . . . . 75.12 111.368 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.693 ' HG3' HG11 ' B' ' 40' ' ' VAL . 5.3 tpm_? -58.94 -38.18 78.41 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.663 1.185 . . . . 71.42 111.888 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 54' ' ' ILE . 85.0 t -71.81 -39.83 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.803 0.841 . . . . 70.43 111.246 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 55' ' ' LEU . 71.5 mt -62.32 -45.31 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.563 0.345 . . . . 71.33 110.247 175.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -56.89 -43.61 81.5 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.667 0.787 . . . . 55.12 111.61 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.565 ' HB2' HG13 ' B' ' 40' ' ' VAL . 39.1 t80 -57.23 -51.78 67.98 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.044 0.938 . . . . 74.33 111.99 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 69.1 mt -65.47 -46.71 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.554 0.342 . . . . 55.33 110.491 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -30.22 71.31 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.307 0.643 . . . . 64.04 112.161 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.58 -34.48 78.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.138 0.975 . . . . 75.13 110.782 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.78 -39.99 56.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.652 0.781 . . . . 62.13 111.291 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 68.8 mm-40 -72.7 138.22 46.46 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.225 0.61 . . . . 62.43 112.189 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.79 141.75 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.283 0.633 . . . . 73.31 110.117 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 CA--C 1.563 1.476 0 C-N-CA 123.684 0.794 . . . . 62.02 109.973 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 1.3 m-20 . . . . . 0 CA--C 1.56 1.35 0 N-CA-C 113.15 0.796 . . . . 74.41 113.15 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.45 -39.09 86.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.713 0.805 . . . . 72.4 111.763 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' B' ' 52' ' ' VAL . 29.1 mtp -64.76 -43.29 93.78 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.332 -0.395 . . . . 64.14 111.243 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 27.6 t-20 -67.57 -30.29 69.87 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.54 0.736 . . . . 74.15 111.314 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.37 -40.02 81.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.518 0.727 . . . . 62.52 110.574 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.2 m -68.12 -39.39 82.76 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.113 -0.494 . . . . 73.4 111.101 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.71 -38.49 73.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.05 0.94 . . . . 73.53 112.357 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.0 p -64.29 -40.73 96.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.981 0.513 . . . . 71.13 110.123 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' HD13 ' B' ' 59' ' ' ILE . 64.8 ttt180 -64.83 -40.29 94.94 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.385 -0.825 . . . . 65.54 111.739 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.3 mt -61.55 -42.8 99.36 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.874 0.47 . . . . 73.24 111.41 174.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 54' ' ' ILE . 92.9 mtt180 -55.4 -28.36 53.61 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.541 0.736 . . . . 73.05 112.017 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.96 -32.59 20.02 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.959 0.903 . . . . 71.11 110.583 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HB3' HG21 ' B' ' 62' ' ' ILE . 82.1 mt -85.71 -9.41 57.21 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.592 0.757 . . . . 65.15 112.966 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 36' ' ' LEU . 42.0 t -102.27 101.53 19.92 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 123.047 0.539 . . . . 73.2 110.348 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.81 -31.36 25.34 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.402 2.734 . . . . 72.15 113.729 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.96 66.3 3.8 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 121.37 0.428 . . . . 53.32 113.677 -175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.67 130.87 21.84 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.348 1.059 . . . . 72.1 109.924 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.8 118.54 5.52 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.443 2.096 . . . . 74.24 110.828 167.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -71.41 105.43 3.54 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.131 0.573 . . . . 73.13 110.804 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.74 35.68 1.83 Allowed Glycine 0 N--CA 1.477 1.429 0 CA-C-N 116.514 -0.312 . . . . 75.43 113.455 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 48' ' ' GLN . 20.7 m -104.73 -129.48 0.26 Allowed 'General case' 0 CA--C 1.569 1.696 0 C-N-CA 123.427 0.691 . . . . 75.15 109.164 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' H ' HG22 ' A' ' 47' ' ' THR . 96.8 mt-30 -130.43 -78.8 0.54 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 120.066 1.303 . . . . 75.31 110.561 -174.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 53' ' ' GLU . 18.2 mt 51.7 67.39 0.97 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.217 1.007 . . . . 73.24 112.268 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -78.11 -68.07 0.67 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.44 -176.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -127.28 -78.51 0.58 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.108 0.563 . . . . 55.24 111.083 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.4 t -73.86 -34.06 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 123.817 0.847 . . . . 72.35 111.82 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 49' ' ' LEU . 27.3 mt-10 -52.0 -37.96 55.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.503 1.121 . . . . 74.51 111.884 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.509 HD11 ' HE ' ' A' ' 37' ' ' ARG . 79.9 mt -62.94 -55.14 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.749 0.82 . . . . 73.32 110.519 173.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.9 -48.46 51.59 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.124 0.97 . . . . 75.42 112.719 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.7 -44.08 93.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.959 0.904 . . . . 72.14 112.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -74.5 -24.9 59.07 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.889 0.7 . . . . 73.45 112.889 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' B' ' 58' ' ' VAL . 77.2 t -70.96 -43.07 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.571 0.348 . . . . 62.33 110.464 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.93 -48.02 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.163 0.585 . . . . 70.41 110.271 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.21 -37.6 75.13 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.184 0.994 . . . . 74.44 112.019 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.01 -52.75 61.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.273 1.029 . . . . 74.14 111.359 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.56 -43.43 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 123.016 0.526 . . . . 74.54 111.342 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.64 -35.81 77.12 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.673 0.789 . . . . 63.2 112.51 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.04 -35.83 82.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.757 0.423 . . . . 65.2 111.06 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.11 -40.54 62.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.446 0.699 . . . . 73.54 111.506 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 124.192 0.997 . . . . 61.15 111.751 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 7.9 m-20 . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 112.334 0.494 . . . . 73.24 112.334 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.15 -39.26 78.32 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 122.964 0.506 . . . . 73.23 111.563 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.547 ' HG2' HG22 ' A' ' 52' ' ' VAL . 60.1 mtp -67.29 -39.84 86.01 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.9 0.48 . . . . 60.44 111.294 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 54.4 t-20 -62.19 -48.68 78.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.463 1.105 . . . . 73.43 110.985 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -61.03 -37.99 84.54 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.161 0.584 . . . . 32.1 111.563 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.31 -43.83 89.79 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.728 -0.669 . . . . 65.43 111.904 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' TYR . . . . . 0.411 ' O ' ' HG3' ' B' ' 37' ' ' ARG . 12.2 m-85 -66.54 -37.06 84.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.377 0.671 . . . . 74.35 111.923 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -61.75 -42.82 99.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.47 0.708 . . . . 62.15 110.808 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 52.4 mtp85 -68.17 -38.24 81.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.672 0.789 . . . . 74.4 112.734 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 40' ' ' VAL . 86.7 mt -58.12 -47.28 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.59 0.356 . . . . 41.33 111.055 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.526 ' NH2' HD11 ' B' ' 54' ' ' ILE . 86.5 mtt-85 -55.97 -31.48 63.04 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.54 0.736 . . . . 72.14 112.655 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.3 -39.91 38.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.376 0.671 . . . . 72.54 110.85 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 35' ' ' ARG . 73.7 mt -79.93 -23.62 41.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.64 -0.709 . . . . 63.04 112.832 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 19.4 t -97.26 107.32 37.67 Favored Pre-proline 0 N--CA 1.484 1.239 0 C-N-CA 122.877 0.471 . . . . 72.43 110.807 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.92 -7.43 18.31 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 123.063 2.508 . . . . 71.44 112.689 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -14.69 64.85 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.201 0.841 . . . . 74.23 115.201 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.58 116.99 60.11 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.791 0.795 . . . . 54.25 110.42 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.85 119.24 6.29 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.409 2.072 . . . . 61.41 111.95 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -55.32 104.49 0.13 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.572 0.749 . . . . 74.45 111.438 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.82 -34.91 1.65 Allowed Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 34.01 111.987 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -84.52 144.24 28.82 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.572 0.349 . . . . 70.31 110.63 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.55 -57.84 2.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.546 0.339 . . . . 64.34 111.062 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt 67.79 132.13 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 124.941 1.297 . . . . 75.1 111.921 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.7 p -100.5 -175.03 2.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.964 -0.46 . . . . 63.31 111.855 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -44.29 -52.4 7.58 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.786 1.773 . . . . 75.33 115.786 -162.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 29' ' ' MET . 10.7 t -72.3 -37.93 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.37 -31.02 71.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.165 0.586 . . . . 74.41 111.793 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.526 HD11 ' NH2' ' B' ' 37' ' ' ARG . 92.0 mt -58.95 -52.38 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.192 0.597 . . . . 74.25 109.89 170.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.17 -46.77 82.5 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.36 0.664 . . . . 72.44 111.939 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.76 -40.07 86.94 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.889 0.876 . . . . 53.32 112.104 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.47 -37.83 77.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.751 0.82 . . . . 74.24 111.383 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' A' ' 58' ' ' VAL . 82.5 t -66.47 -45.7 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.541 0.736 . . . . 75.12 111.089 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 89.1 mt -55.15 -49.49 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.046 0.538 . . . . 75.22 110.295 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.87 -39.5 85.46 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.587 0.755 . . . . 53.31 112.216 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -45.9 83.56 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.843 0.857 . . . . 75.34 111.069 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 39' ' ' LEU . 55.4 mt -70.71 -37.85 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.13 0.572 . . . . 65.32 111.262 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 87.3 mt -63.27 -35.28 79.84 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.414 0.686 . . . . 74.33 111.62 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.31 -41.96 98.97 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.161 0.584 . . . . 65.35 110.962 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.11 -33.53 74.68 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.218 0.607 . . . . 63.13 112.143 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.04 -60.97 2.04 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 112.932 0.716 . . . . 65.11 112.932 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -87.87 10.55 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 122.517 1.151 . . . . 70.15 112.994 -165.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 CA--C 1.565 1.545 0 C-N-CA 124.331 1.052 . . . . 54.0 109.265 172.085 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 114.041 1.126 . . . . 74.31 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.48 -33.1 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.037 0.935 . . . . 61.23 111.893 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.572 ' HG2' HG22 ' B' ' 52' ' ' VAL . 25.3 mtp -60.68 -37.41 81.5 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.647 0.779 . . . . 63.43 111.606 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.82 -41.86 95.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.037 0.935 . . . . 54.44 111.296 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.5 -37.23 82.53 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.495 0.718 . . . . 63.02 111.104 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.62 -50.22 70.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.192 0.597 . . . . 53.21 110.957 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -62.43 -36.61 82.93 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.2 1.0 . . . . 72.24 112.749 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 t -60.92 -48.21 82.86 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.013 0.525 . . . . 61.25 111.307 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.427 HH21 HG21 ' B' ' 59' ' ' ILE . 30.2 ttp180 -74.93 -24.75 58.54 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.979 0.511 . . . . 72.35 112.192 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.0 mt -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 120.747 0.308 . . . . 71.14 110.334 169.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -59.33 -18.59 39.37 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.965 0.906 . . . . 74.51 112.886 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.22 -29.13 14.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.993 0.917 . . . . 72.21 111.428 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 82.2 mt -83.3 -27.1 30.03 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.903 0.881 . . . . 71.15 112.608 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 57' ' ' ARG . 44.6 t -87.8 109.4 26.76 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.308 0.643 . . . . 73.15 109.733 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.05 -24.62 52.23 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.927 2.418 . . . . 73.33 113.354 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.65 44.75 3.4 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 114.528 0.571 . . . . 62.11 114.528 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -96.02 110.36 51.49 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 123.289 0.635 . . . . 75.02 109.423 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.09 130.83 26.75 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.534 2.156 . . . . 73.23 111.968 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -60.79 131.4 50.58 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.285 0.634 . . . . 72.11 112.067 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.42 -3.27 63.52 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.104 0.802 . . . . 74.31 115.104 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.2 m -90.5 109.65 20.79 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 117.823 0.811 . . . . 65.32 110.541 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.46 104.82 2.86 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 121.533 0.682 . . . . 72.0 110.895 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.61 114.76 19.73 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.772 -0.649 . . . . 75.54 110.82 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.492 ' HB2' ' HG2' ' A' ' 53' ' ' GLU . 19.7 m -66.11 165.35 13.73 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.459 0.704 . . . . 62.15 110.784 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -38.16 69.08 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.296 0.638 . . . . 73.3 112.354 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.5 t -72.34 -38.74 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.125 0.57 . . . . 61.01 111.123 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 50' ' ' SER . 23.9 mm-40 -65.85 -34.85 79.1 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.358 0.663 . . . . 74.02 111.92 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.34 -44.44 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.304 0.642 . . . . 73.33 110.273 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD22 HD11 ' B' ' 36' ' ' LEU . 89.3 mt -56.34 -48.18 77.29 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.265 0.626 . . . . 74.55 111.202 174.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.105 0.962 . . . . 65.32 112.561 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 mmp_? -67.77 -38.42 83.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.491 0.716 . . . . 75.32 111.779 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' B' ' 58' ' ' VAL . 75.0 t -69.2 -45.02 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.407 0.683 . . . . 74.31 111.508 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.51 -48.73 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.296 0.639 . . . . 74.32 110.65 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.99 -31.87 72.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.244 0.617 . . . . 71.32 111.567 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.0 -48.82 77.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.582 0.753 . . . . 55.31 110.979 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' B' ' 39' ' ' LEU . 57.6 mt -71.72 -44.9 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.482 0.713 . . . . 74.22 111.117 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.59 -29.53 70.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.888 0.875 . . . . 72.33 112.423 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.25 -42.23 96.59 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.547 0.739 . . . . 61.24 110.783 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.48 -33.41 64.82 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.748 0.819 . . . . 74.23 111.733 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.483 1.211 0 C-N-CA 123.502 0.721 . . . . 64.11 110.918 177.327 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 113.558 0.947 . . . . 74.21 113.558 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.12 -35.77 69.86 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.262 0.625 . . . . 74.42 111.421 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ttm -56.64 -44.94 81.76 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.967 0.907 . . . . 73.03 112.148 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -66.26 -38.16 87.2 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.08 0.552 . . . . 73.31 110.968 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.76 -33.11 73.35 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.147 0.579 . . . . 71.12 111.907 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 95.0 m -70.53 -41.96 71.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.308 0.643 . . . . 54.55 111.467 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -62.31 -35.19 78.29 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.672 0.789 . . . . 63.2 111.654 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.2 t -59.72 -42.75 93.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.574 0.749 . . . . 74.34 111.066 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.25 -29.11 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.052 -0.522 . . . . 73.41 112.292 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.3 mt -60.17 -45.74 92.07 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 62.24 110.123 170.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -58.24 -24.27 58.73 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.96 0.904 . . . . 71.13 113.041 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.09 -31.41 16.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.369 0.667 . . . . 75.44 111.403 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.476 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.0 mt -87.68 -15.48 37.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.848 0.859 . . . . 73.04 113.298 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 36' ' ' LEU . 20.3 t -100.03 103.85 25.22 Favored Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 122.792 0.437 . . . . 74.51 110.509 176.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.01 -11.14 15.09 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.943 2.429 . . . . 73.51 112.936 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.09 41.99 3.13 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 123.079 0.371 . . . . 43.31 113.129 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.53 110.73 52.54 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.976 0.91 . . . . 74.44 109.132 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.454 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 45.0 Cg_exo -59.06 155.98 36.5 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.983 2.456 . . . . 74.42 113.924 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.69 125.31 24.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.332 0.653 . . . . 74.4 111.004 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.73 31.45 64.08 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 114.678 0.631 . . . . 71.21 114.678 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' B' ' 44' ' ' PRO . 8.8 t -70.79 -20.11 62.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.854 0.687 . . . . 71.42 112.854 -176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.402 1.081 . . . . 71.41 111.422 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' B' ' 53' ' ' GLU . 86.4 mt -123.5 161.62 24.51 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.271 1.034 . . . . 60.31 113.513 -172.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' SER . . . . . 0.549 ' H ' ' HB2' ' B' ' 53' ' ' GLU . 25.0 t -116.76 173.57 6.56 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.937 1.695 . . . . 62.43 109.327 170.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.99 -40.69 67.17 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.546 0.738 . . . . 74.34 112.016 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.585 HG12 HE21 ' B' ' 56' ' ' GLN . 18.2 t -67.0 -45.5 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.256 0.623 . . . . 60.24 110.51 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 50' ' ' SER . 19.3 mm-40 -60.89 -34.1 74.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.031 . . . . 72.42 112.091 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.4 ' O ' HG23 ' B' ' 58' ' ' VAL . 91.2 mt -61.29 -53.15 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.101 0.561 . . . . 71.34 109.578 173.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.424 ' O ' HG13 ' B' ' 59' ' ' ILE . 95.6 mt -53.85 -41.1 67.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.623 0.769 . . . . 72.53 111.857 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.585 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -63.33 -52.04 63.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.61 0.764 . . . . 75.12 111.601 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -30.75 69.55 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 123.341 0.656 . . . . 43.14 111.757 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' A' ' 58' ' ' VAL . 56.0 t -65.99 -48.18 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.485 0.714 . . . . 63.24 110.678 173.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.427 HG21 HH21 ' A' ' 35' ' ' ARG . 86.8 mt -57.47 -47.79 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.972 0.509 . . . . 72.22 110.38 176.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.14 -44.4 79.2 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.018 0.927 . . . . 72.53 111.983 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -59.2 -48.49 81.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.092 0.957 . . . . 75.31 111.8 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 63.1 mt -68.97 -28.51 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 123.218 0.607 . . . . 52.53 111.371 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 77.9 mt -64.15 -30.38 71.44 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.83 0.678 . . . . 54.32 112.83 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.51 -32.43 62.5 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.265 0.626 . . . . 52.31 111.863 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.4 mt -74.18 -35.79 64.02 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.415 0.686 . . . . 74.32 111.51 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -100.18 -177.65 3.59 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.822 1.249 . . . . 75.12 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.93 103.91 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 108.533 -0.914 . . . . 71.32 108.533 167.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.843 0.857 . . . . 72.02 112.866 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.088 -0.338 . . . . 72.4 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.46 -38.64 71.96 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.795 1.238 . . . . 75.24 112.812 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' HG22 ' B' ' 52' ' ' VAL . 4.7 ttm -64.82 -46.92 79.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.361 0.665 . . . . 71.45 111.805 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -63.45 -34.6 78.11 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 123.716 0.806 . . . . 73.21 111.037 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.23 -36.77 77.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.049 0.939 . . . . 74.34 110.974 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.18 -39.0 82.65 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.918 -0.583 . . . . 73.2 111.242 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' HD1' HG21 ' A' ' 54' ' ' ILE . 20.6 m-85 -62.82 -35.33 79.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.773 0.829 . . . . 72.1 111.58 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.4 t -60.51 -46.81 88.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.301 0.64 . . . . 72.12 110.778 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.13 -37.63 87.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.713 0.805 . . . . 71.33 112.924 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 HD22 ' B' ' 55' ' ' LEU . 91.9 mt -59.18 -49.03 79.41 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.903 -0.406 . . . . 74.14 109.903 175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' HE ' HD12 ' A' ' 49' ' ' LEU . 63.7 mtp180 -63.43 -18.62 63.93 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 113.406 0.891 . . . . 74.54 113.406 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' SER . 53.8 mm-40 -85.17 -43.83 13.48 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.262 0.553 . . . . 72.44 110.676 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD21 HD23 ' B' ' 63' ' ' LEU . 83.6 mt -75.38 -24.04 57.18 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.043 0.937 . . . . 75.12 112.542 -175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' HG2' ' A' ' 57' ' ' ARG . 44.0 t -93.24 105.94 17.75 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 123.373 0.669 . . . . 71.03 110.223 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -84.01 3.52 7.56 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.03 2.487 . . . . 75.34 113.141 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.17 32.98 4.18 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.123 0.392 . . . . 62.33 113.962 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.15 110.91 32.29 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.715 0.806 . . . . 72.05 109.634 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.75 79.35 1.94 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 123.012 2.475 . . . . 73.41 114.892 -168.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? 53.35 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.411 1.484 . . . . 71.42 112.888 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -107.81 2.26 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-O 119.357 -0.691 . . . . 73.54 111.516 -173.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m 65.48 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.024 1.329 . . . . 34.4 113.065 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.41 -46.37 83.55 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.099 -0.376 . . . . 74.2 111.2 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' HE ' ' A' ' 37' ' ' ARG . 95.6 mt 64.65 112.58 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.996 1.318 . . . . 75.33 110.665 -168.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -62.1 150.8 37.39 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 110.329 -0.248 . . . . 74.21 110.329 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -56.2 -35.11 66.91 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.33 1.052 . . . . 74.21 112.159 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' B' ' 29' ' ' MET . 19.4 t -73.38 -47.0 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.094 0.557 . . . . 63.04 110.853 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -54.31 -30.26 50.54 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.423 1.089 . . . . 73.35 112.68 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.0 mt -61.42 -55.95 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 122.827 0.451 . . . . 62.22 109.939 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 36' ' ' LEU . 96.1 mt -56.08 -45.59 79.3 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.61 0.764 . . . . 74.24 112.207 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.83 -35.37 80.49 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.986 0.914 . . . . 64.22 111.662 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG2' HG11 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -73.54 -30.91 63.37 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.243 0.617 . . . . 54.4 111.049 176.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.2 t -70.66 -44.14 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.281 0.633 . . . . 74.12 110.52 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 83.7 mt -58.51 -50.18 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 122.835 0.454 . . . . 65.51 109.957 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -47.28 43.95 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.95 1.3 . . . . 75.34 111.431 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.25 -42.28 96.59 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.457 1.103 . . . . 70.43 112.339 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 66.8 mt -71.73 -26.94 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 122.686 0.394 . . . . 70.12 110.691 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.2 mt -67.53 -33.47 75.13 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.032 0.533 . . . . 74.14 110.747 171.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.91 -38.81 83.4 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.631 0.772 . . . . 74.32 110.861 172.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.62 -46.27 79.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.279 0.632 . . . . 74.23 111.127 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 124.387 1.075 . . . . 63.2 111.865 -178.259 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' B' ' 30' ' ' ASN . 18.8 m-20 . . . . . 0 C--O 1.237 0.419 0 N-CA-C 107.829 -1.174 . . . . 74.21 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.31 -35.06 67.12 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 121.669 0.747 . . . . 63.41 109.887 165.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.5 mtp -67.14 -31.28 71.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.461 1.104 . . . . 64.04 112.02 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 8.8 t30 -63.77 -35.67 81.36 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.961 0.904 . . . . 75.11 111.352 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -64.04 -31.99 73.38 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.316 0.646 . . . . 73.13 111.454 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -73.82 -46.28 46.22 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.226 0.61 . . . . 74.03 111.001 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.01 -30.41 67.98 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.282 1.033 . . . . 72.13 112.289 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -59.15 -54.73 43.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.512 0.725 . . . . 54.54 110.978 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.2 -24.55 63.14 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.102 0.778 . . . . 74.14 113.102 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.529 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.8 mt -60.98 -53.13 61.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.567 -0.531 . . . . 53.04 109.567 168.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.62 -24.28 65.38 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.582 0.753 . . . . 73.04 112.906 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -86.7 -22.57 25.98 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.873 0.469 . . . . 62.14 111.893 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.5 8.31 31.35 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.041 0.756 . . . . 73.2 113.041 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.725 HG11 ' HB3' ' B' ' 57' ' ' ARG . 36.9 t -114.43 112.12 46.33 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.799 -0.563 . . . . 75.03 111.742 175.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.55 -11.91 9.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.158 2.572 . . . . 55.52 113.962 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.14 55.42 4.57 Favored Glycine 0 N--CA 1.481 1.659 0 C-N-CA 122.868 0.271 . . . . 60.42 113.153 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.85 140.07 32.43 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 124.366 1.066 . . . . 73.23 109.739 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.414 ' O ' HG22 ' B' ' 47' ' ' THR . 65.1 Cg_exo -53.96 150.46 30.59 Favored 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 122.257 1.971 . . . . 74.11 112.714 167.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.508 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 5.1 mpt_? -88.03 -32.72 18.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.057 0.543 . . . . 72.4 111.118 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.13 63.87 1.2 Allowed Glycine 0 CA--C 1.537 1.417 0 CA-C-N 116.347 -0.388 . . . . 71.01 112.257 172.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.414 HG22 ' O ' ' B' ' 44' ' ' PRO . 6.1 t -152.53 164.35 37.78 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.415 0.626 . . . . 45.23 111.816 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.8 -19.02 12.15 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.081 -0.963 . . . . 54.42 110.147 168.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.16 172.88 0.3 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.373 1.469 . . . . 73.44 111.918 -170.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 46.7 t -103.13 169.05 8.79 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.298 -0.864 . . . . 73.22 109.595 166.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -49.73 72.0 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.592 0.757 . . . . 75.41 112.689 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' MET . 42.0 t -71.31 -33.24 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.709 0.404 . . . . 72.42 110.977 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.1 mm-40 -57.96 -40.53 80.8 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.36 0.664 . . . . 64.12 112.175 173.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.62 -51.54 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 122.963 0.505 . . . . 64.34 110.975 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 36' ' ' LEU . 65.1 mt -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.04 0.536 . . . . 75.43 111.847 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.6 -33.52 75.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.103 0.779 . . . . 73.3 113.103 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.725 ' HB3' HG11 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -64.24 -35.56 81.22 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.201 0.455 . . . . 75.45 110.359 175.288 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.13 -44.23 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 123.539 0.736 . . . . 53.25 110.919 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.94 -56.84 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.756 0.822 . . . . 73.3 111.47 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.3 -31.5 72.67 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.593 0.757 . . . . 74.33 112.839 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.68 -54.86 42.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.419 0.688 . . . . 52.54 110.575 171.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.18 -43.09 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 123.894 0.878 . . . . 75.52 111.758 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 39' ' ' LEU . 71.6 mt -53.43 -47.34 69.71 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.021 0.928 . . . . 62.33 111.824 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.72 -31.24 72.35 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.655 -0.702 . . . . 75.41 111.677 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.63 -36.39 57.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.46 0.704 . . . . 74.24 111.74 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.63 -80.27 0.17 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.394 1.078 . . . . 65.33 111.804 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.53 130.63 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.703 0.801 . . . . 63.31 111.41 -172.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 CA--C 1.569 1.685 0 C-N-CA 123.635 0.774 . . . . 53.12 111.538 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 121.55 0.69 . . . . 65.35 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.73 -39.99 74.91 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.583 1.153 . . . . 55.55 112.916 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.504 ' HB3' HG22 ' B' ' 52' ' ' VAL . 2.4 ptp -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.867 -0.606 . . . . 55.33 112.325 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.26 -36.0 82.78 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.373 0.669 . . . . 73.34 111.071 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -66.5 -38.49 87.35 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 122.641 0.376 . . . . 72.41 110.752 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.08 -31.43 71.05 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.553 0.741 . . . . 72.04 112.078 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -66.59 -39.46 88.42 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.011 0.924 . . . . 63.44 111.627 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -59.94 -45.67 91.88 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 73.5 110.501 171.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HD3' HD13 ' B' ' 59' ' ' ILE . 15.5 ttt180 -64.11 -33.53 75.98 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.336 1.054 . . . . 74.24 112.393 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 HD22 ' B' ' 55' ' ' LEU . 86.4 mt -59.9 -56.78 17.53 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.974 0.51 . . . . 63.35 110.194 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 54' ' ' ILE . 32.6 mtp180 -57.75 -21.54 41.89 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.247 1.019 . . . . 65.13 113.342 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -82.69 -29.39 29.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.756 0.822 . . . . 75.52 111.586 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.9 -8.89 24.94 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.889 0.876 . . . . 44.25 112.397 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG21 HG22 ' A' ' 58' ' ' VAL . 60.1 t -114.46 104.5 54.48 Favored Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 123.472 0.709 . . . . 65.14 110.935 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.24 -178.02 3.92 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.501 2.134 . . . . 61.24 112.606 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.43 89.91 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 116.257 -0.429 . . . . 64.01 113.339 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -82.36 116.15 62.04 Favored Pre-proline 0 CA--C 1.556 1.195 0 C-N-CA 123.771 0.828 . . . . 74.31 109.003 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.35 136.51 55.61 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.821 2.347 . . . . 70.21 112.435 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -67.74 114.23 6.17 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.727 0.811 . . . . 74.04 112.102 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.36 4.02 66.62 Favored Glycine 0 N--CA 1.474 1.207 0 CA-C-N 116.135 -0.484 . . . . 52.33 113.859 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.0 m -94.09 132.66 38.37 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.464 0.705 . . . . 62.13 110.53 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.28 -46.51 64.17 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.328 0.651 . . . . 65.14 111.479 -175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt 62.42 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.063 1.345 . . . . 63.41 113.03 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -67.01 151.04 48.39 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.09 -0.504 . . . . 72.53 110.548 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.0 -37.82 72.21 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.605 0.762 . . . . 73.41 112.867 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.14 -38.81 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.558 0.343 . . . . 74.31 111.094 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -36.58 77.57 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.173 0.589 . . . . 71.1 110.384 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.3 mt -63.89 -41.47 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 C-N-CA 123.068 0.547 . . . . 72.2 111.076 175.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 122.823 0.449 . . . . 74.24 111.689 173.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.71 -33.61 74.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.205 1.002 . . . . 73.32 111.74 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -61.27 -43.07 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.659 0.784 . . . . 72.23 110.606 170.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 40' ' ' VAL . 96.7 t -64.02 -46.02 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.465 0.706 . . . . 73.42 111.223 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.26 -48.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.41 0.684 . . . . 75.45 110.713 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.1 -36.64 82.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.271 1.028 . . . . 73.2 111.232 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.75 -45.58 92.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.056 0.942 . . . . 73.13 111.508 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' B' ' 39' ' ' LEU . 60.5 mt -67.79 -36.91 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 116.294 -0.412 . . . . 63.25 110.61 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.98 -30.36 71.34 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.354 0.662 . . . . 74.35 111.696 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.11 -32.57 72.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.874 0.87 . . . . 71.23 111.145 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.94 -41.12 60.25 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.621 0.768 . . . . 72.51 111.686 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 15.0 mm100 . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 123.992 0.917 . . . . 75.54 111.469 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 121.834 0.826 . . . . 63.12 112.068 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.43 -27.75 68.78 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.595 -1.184 . . . . 73.33 110.874 176.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -55.35 30.31 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.634 0.774 . . . . 70.34 110.608 171.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 29.1 t-20 -64.47 -27.44 68.99 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.007 0.923 . . . . 75.34 111.906 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.87 -54.99 30.82 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.836 0.855 . . . . 73.34 110.643 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.11 -31.6 62.86 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.303 -0.862 . . . . 74.34 112.17 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' TYR . . . . . 0.555 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 11.8 m-85 -61.3 -41.94 97.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.604 0.762 . . . . 73.34 112.176 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -62.66 -45.62 91.99 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.147 0.579 . . . . 73.14 110.188 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -30.85 71.91 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 124.175 0.99 . . . . 71.12 111.655 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 40' ' ' VAL . 79.6 mt -63.04 -50.31 71.13 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.676 0.39 . . . . 73.54 110.142 170.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.408 HH21 HD11 ' B' ' 54' ' ' ILE . 51.3 mtt180 -55.48 -25.95 39.75 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.601 0.76 . . . . 75.13 112.59 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -76.35 -38.56 55.68 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.247 0.546 . . . . 74.43 110.454 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.9 mt -87.44 -16.09 35.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.81 0.844 . . . . 74.23 113.148 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 36' ' ' LEU . 60.6 t -94.34 107.81 31.91 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 123.03 0.532 . . . . 74.35 111.217 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.47 7.57 4.7 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.464 2.776 . . . . 54.44 113.25 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.07 35.53 3.77 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 123.066 0.365 . . . . 72.2 113.162 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.69 101.98 39.38 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.521 0.729 . . . . 75.45 109.948 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.69 153.01 79.47 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.031 2.487 . . . . 74.53 112.629 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.32 100.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.499 1.119 . . . . 71.33 113.743 -171.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.19 -6.16 63.57 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.546 -0.752 . . . . 72.25 114.359 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 55.9 m -69.83 102.63 1.99 Allowed 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.725 0.762 . . . . 72.53 110.675 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -75.09 96.92 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.589 0.755 . . . . 64.3 110.231 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.86 133.66 44.52 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.761 -0.654 . . . . 42.01 111.195 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.5 p -89.93 -174.63 4.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.316 0.646 . . . . 63.32 110.377 171.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.8 -43.01 90.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.405 0.682 . . . . 71.04 112.834 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.9 t -70.62 -38.32 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.816 0.446 . . . . 71.05 111.072 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.8 -39.06 70.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.77 0.828 . . . . 61.33 111.896 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.408 HD11 HH21 ' B' ' 37' ' ' ARG . 93.3 mt -54.09 -54.89 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.82 0.848 . . . . 61.14 111.302 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 36' ' ' LEU . 86.5 mt -56.14 -46.18 79.33 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.757 0.823 . . . . 75.34 111.636 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.73 -41.66 98.02 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.921 -1.036 . . . . 71.2 112.187 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -65.62 -36.94 85.18 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.058 0.943 . . . . 75.02 111.749 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 58' ' ' VAL . 68.3 t -61.62 -48.97 86.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 CA-C-N 115.677 -0.692 . . . . 62.25 110.635 173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.541 HD13 ' HD3' ' A' ' 35' ' ' ARG . 89.8 mt -55.79 -48.93 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.361 0.664 . . . . 74.13 110.938 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.66 -48.09 75.62 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.607 0.763 . . . . 73.52 111.904 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -56.63 -48.04 78.37 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.079 0.952 . . . . 71.53 112.066 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.98 -37.4 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 115.652 -0.704 . . . . 73.1 111.496 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.21 -41.71 84.62 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.375 0.88 . . . . 71.41 113.375 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.09 -30.87 71.02 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.09 0.556 . . . . 74.22 112.157 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.93 -32.65 45.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.909 0.484 . . . . 74.32 111.447 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -99.64 -179.75 4.29 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.641 1.176 . . . . 71.44 111.676 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -94.48 126.63 46.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.2 0.6 . . . . 72.54 109.478 168.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.562 1.427 0 C-N-CA 123.451 0.701 . . . . 74.5 110.503 -175.844 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 112.362 0.504 . . . . 53.1 112.362 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.07 -31.97 73.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.601 0.76 . . . . 63.25 111.186 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' B' ' 52' ' ' VAL . 36.8 mtp -57.75 -41.21 81.44 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.617 -0.72 . . . . 74.21 111.178 175.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.49 -36.53 82.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.965 0.906 . . . . 75.03 111.238 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -64.64 -41.54 96.07 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.962 0.505 . . . . 73.12 110.661 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.3 m -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.381 0.672 . . . . 70.15 111.746 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.83 -34.66 78.29 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.954 0.902 . . . . 73.24 112.094 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -64.54 -38.89 92.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.913 0.485 . . . . 52.33 111.033 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -75.17 -27.74 59.78 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 113.502 0.927 . . . . 72.23 113.502 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . 90.3 mt -61.77 -46.67 88.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.58 -0.526 . . . . 70.12 109.58 169.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -56.76 -30.3 63.45 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.484 0.714 . . . . 65.14 112.833 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.01 -34.65 75.61 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.252 0.549 . . . . 74.45 111.196 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB3' HG21 ' B' ' 62' ' ' ILE . 78.6 mt -99.5 -2.23 36.44 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.344 0.868 . . . . 63.34 113.344 -170.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' LEU . 43.1 t -111.43 103.88 55.51 Favored Pre-proline 0 N--CA 1.493 1.718 0 CA-C-N 118.08 0.4 . . . . 52.23 111.83 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -79.64 -4.75 13.71 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 123.08 2.52 . . . . 42.32 113.081 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.99 14.59 19.59 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.411 0.525 . . . . 73.0 114.411 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HG2' ' A' ' 57' ' ' ARG . 99.2 t -84.85 127.71 63.77 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 123.81 0.844 . . . . 62.33 110.147 172.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.99 170.81 13.51 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.44 2.093 . . . . 61.33 113.219 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -71.67 -32.41 67.85 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.852 0.461 . . . . 60.33 110.769 171.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.95 -156.52 32.76 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.213 -0.449 . . . . 63.43 112.258 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 m 66.33 102.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.645 1.178 . . . . 61.41 111.993 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.74 108.76 3.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.997 0.519 . . . . 74.11 109.931 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.38 97.17 2.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 121.112 0.482 . . . . 64.14 111.626 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.2 m -73.78 161.72 29.91 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.167 -0.679 . . . . 74.24 109.167 165.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -49.16 -38.06 24.32 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.38 0.881 . . . . 73.21 113.38 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.92 -43.63 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.15 0.58 . . . . 73.33 111.255 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.1 -34.14 74.48 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.902 0.881 . . . . 73.03 112.069 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' VAL . 93.8 mt -59.71 -50.68 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.581 0.753 . . . . 54.52 110.691 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HD11 ' B' ' 36' ' ' LEU . 57.0 mt -57.22 -43.58 82.99 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.419 0.45 . . . . 63.23 111.517 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.31 -39.83 84.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 73.42 111.884 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.47 -38.75 92.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.798 0.439 . . . . 65.32 111.587 175.195 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.2 t -68.98 -44.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.086 0.554 . . . . 74.34 111.84 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.67 -50.46 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.751 0.82 . . . . 74.44 111.254 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.23 -36.78 85.18 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.601 0.761 . . . . 73.14 112.104 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.29 -48.03 79.96 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.336 0.654 . . . . 63.23 111.515 173.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 58' ' ' VAL . 73.3 mt -66.0 -29.27 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 123.243 0.617 . . . . 72.12 110.956 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.94 -32.04 71.36 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.963 0.505 . . . . 73.35 112.213 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.21 -30.73 70.73 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.233 0.539 . . . . 62.45 111.386 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.8 mt -80.98 -45.86 15.98 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.761 -0.654 . . . . 54.42 111.011 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.524 0.678 . . . . 63.24 110.286 179.365 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 109.979 -0.378 . . . . 73.54 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.25 -26.05 65.49 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.246 0.618 . . . . 74.14 111.844 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -54.14 41.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.831 0.852 . . . . 73.3 110.752 167.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -76.01 -26.62 56.85 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.535 -1.211 . . . . 65.24 111.969 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -70.5 -39.95 73.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.661 0.784 . . . . 60.15 109.94 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.81 -37.28 87.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.448 0.699 . . . . 75.54 111.327 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -62.5 -37.09 84.68 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.102 0.561 . . . . 74.24 111.869 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 67.5 m -68.26 -33.97 75.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.181 0.592 . . . . 50.55 111.118 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -72.83 -32.67 65.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.751 0.82 . . . . 62.13 112.518 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 55' ' ' LEU . 96.9 mt -64.5 -45.39 87.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.933 0.493 . . . . 62.02 109.849 169.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.402 ' HE ' HG11 ' B' ' 43' ' ' VAL . 15.6 tpt180 -56.08 -25.18 44.3 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.984 0.914 . . . . 74.22 112.105 176.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.0 mm-40 -76.21 -40.34 52.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.301 0.64 . . . . 63.14 111.329 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.8 mt -95.89 -7.86 35.59 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 114.077 1.14 . . . . 74.11 114.077 -170.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.8 t -107.34 101.9 41.18 Favored Pre-proline 0 N--CA 1.491 1.597 0 CA-C-N 118.22 0.464 . . . . 73.54 111.774 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 61' ' ' TYR . 91.7 Cg_endo -75.05 -7.0 18.73 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.206 2.604 . . . . 53.13 112.303 168.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.85 -15.43 60.1 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-N 116.099 -0.501 . . . . 73.01 113.436 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.402 HG11 ' HE ' ' B' ' 37' ' ' ARG . 92.6 t -65.12 120.89 70.99 Favored Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 123.321 0.648 . . . . 73.33 109.691 170.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.39 94.1 0.36 Allowed 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.56 2.173 . . . . 75.41 112.824 -172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 56.74 -83.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.454 1.501 . . . . 72.14 112.004 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.8 -92.12 1.66 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 110.669 -0.973 . . . . 43.21 110.669 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.4 m 55.19 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.226 1.41 . . . . 71.23 113.962 169.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.31 109.72 1.67 Allowed 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.609 0.719 . . . . 65.21 111.483 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.39 176.41 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.792 0.837 . . . . 74.23 112.161 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.1 t -98.57 169.24 9.65 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.527 0.731 . . . . 55.55 110.719 172.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.37 -42.3 98.85 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.379 0.672 . . . . 74.2 111.391 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 29' ' ' MET . 8.1 t -71.07 -37.81 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.081 -0.509 . . . . 75.32 110.824 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.59 -45.01 77.48 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.066 0.946 . . . . 74.42 111.728 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.416 ' O ' HG23 ' B' ' 58' ' ' VAL . 76.6 mt -60.56 -49.56 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.543 0.527 . . . . 65.14 110.801 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.56 -51.97 61.21 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.811 0.671 . . . . 71.31 112.811 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.41 -34.58 76.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.558 0.743 . . . . 71.14 112.04 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -73.73 -28.64 61.8 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.396 0.678 . . . . 71.1 111.845 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.486 HG21 HD13 ' B' ' 36' ' ' LEU . 55.6 t -73.42 -42.01 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.171 0.588 . . . . 64.05 110.382 174.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 79.3 mt -56.08 -52.6 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 109.721 -0.474 . . . . 64.14 109.721 171.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.85 -33.59 73.29 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.509 1.124 . . . . 71.43 112.298 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' B' ' 41' ' ' PRO . 54.3 t80 -62.73 -49.72 73.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.717 0.807 . . . . 71.41 111.047 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.3 mt -65.17 -38.4 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 122.959 0.503 . . . . 65.24 110.692 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 89.4 mt -67.93 -29.61 68.71 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.706 0.802 . . . . 64.25 111.39 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.71 -34.81 76.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.395 0.678 . . . . 73.35 111.087 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 70.1 mt -72.75 -36.2 67.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.498 0.719 . . . . 52.23 111.091 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.75 165.84 13.93 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.217 1.007 . . . . 70.23 112.244 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.89 100.72 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.136 0.574 . . . . 71.43 110.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.492 1.671 0 C-N-CA 123.528 0.731 . . . . 62.13 112.765 -177.815 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.755 1.021 . . . . 72.43 113.755 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.6 -31.04 41.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.724 0.809 . . . . 74.43 109.014 162.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.647 ' HG2' HG22 ' B' ' 52' ' ' VAL . 21.6 mtp -54.81 -52.11 63.7 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.539 1.136 . . . . 65.31 112.47 -176.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -66.55 -31.12 71.63 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.107 0.963 . . . . 73.14 112.693 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.73 -40.83 69.16 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.737 0.415 . . . . 53.34 110.987 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 92.8 m -62.03 -41.54 98.2 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.028 0.531 . . . . 72.31 111.381 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.32 -39.13 92.02 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.957 0.903 . . . . 73.11 112.038 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.3 m -63.65 -46.36 85.97 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.072 0.549 . . . . 72.12 110.66 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' B' ' 59' ' ' ILE . 22.9 ttp180 -63.31 -31.66 72.87 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.203 1.001 . . . . 71.22 111.89 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD13 HG21 ' A' ' 58' ' ' VAL . 98.0 mt -65.83 -55.83 15.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.486 0.714 . . . . 70.33 110.185 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -53.76 -24.79 16.22 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.662 0.986 . . . . 65.23 113.662 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.29 -32.41 29.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.758 0.823 . . . . 64.2 111.239 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -95.58 -12.5 25.58 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.671 0.788 . . . . 74.44 112.394 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 61' ' ' TYR . 97.9 t -100.58 106.65 44.4 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 123.861 0.865 . . . . 71.02 111.183 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.45 -3.39 13.83 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.817 2.345 . . . . 62.02 113.079 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 -21.14 72.43 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 123.131 0.396 . . . . 43.3 113.691 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.67 110.32 8.71 Favored Pre-proline 0 CA--C 1.566 1.573 0 C-N-CA 123.645 0.778 . . . . 75.34 110.163 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.4 2.31 1.59 Allowed 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.645 2.897 . . . . 72.23 116.314 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 69.93 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.321 1.448 . . . . 70.42 111.645 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.88 -75.32 1.88 Allowed Glycine 0 CA--C 1.535 1.309 0 N-CA-C 110.812 -0.915 . . . . 51.22 110.812 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t 47.79 -60.77 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 118.632 2.827 . . . . 60.41 118.632 164.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 87.12 90.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.027 2.131 . . . . 71.0 109.462 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -128.55 127.67 42.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.54 1.136 . . . . 72.34 109.509 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.9 m -85.95 178.31 7.31 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.233 0.613 . . . . 64.5 111.111 175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -49.24 -45.57 44.84 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 124.245 1.018 . . . . 75.41 113.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' B' ' 29' ' ' MET . 47.9 t -69.63 -40.85 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.787 0.835 . . . . 74.31 111.507 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.99 -26.77 62.37 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.52 0.728 . . . . 62.31 112.672 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.3 mt -63.85 -47.02 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 109.703 -0.48 . . . . 75.55 109.703 171.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 98.3 mt -54.96 -41.05 70.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.971 0.908 . . . . 71.31 112.669 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.98 -41.77 88.39 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.605 0.762 . . . . 72.02 111.563 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -69.79 -31.54 69.52 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.445 0.698 . . . . 74.11 112.118 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.635 HG21 HD13 ' A' ' 36' ' ' LEU . 93.2 t -66.45 -37.33 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.173 0.589 . . . . 64.04 110.744 175.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' B' ' 32' ' ' CYS . 77.7 mt -62.88 -50.0 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 116.067 -0.515 . . . . 61.52 109.86 170.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -52.82 -41.78 64.52 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.831 0.852 . . . . 62.23 111.864 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.48 ' HE2' HG12 ' B' ' 62' ' ' ILE . 52.1 t80 -56.26 -51.37 68.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.634 0.774 . . . . 71.52 111.428 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.703 HG21 ' HB3' ' B' ' 39' ' ' LEU . 32.8 mt -68.94 -32.25 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.946 -0.57 . . . . 70.11 110.792 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.5 mt -64.2 -37.34 87.12 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.071 0.548 . . . . 73.34 111.311 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -66.87 -33.23 75.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.379 0.672 . . . . 71.24 111.71 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.46 -41.87 75.66 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.841 0.456 . . . . 64.02 111.78 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 14.7 mm100 . . . . . 0 N--CA 1.481 1.084 0 C-N-CA 123.701 0.8 . . . . 61.24 111.681 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 121.443 0.64 . . . . 74.25 112.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.34 -32.16 64.39 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.603 -0.726 . . . . 74.1 109.1 173.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.627 ' HB2' HG22 ' A' ' 52' ' ' VAL . 17.0 ttm -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.2 1.0 . . . . 75.45 111.831 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.92 -32.35 71.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.453 0.301 . . . . 73.42 111.324 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -60.02 -46.02 90.85 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.461 0.705 . . . . 72.41 110.589 172.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 59' ' ' ILE . 94.9 m -61.72 -48.68 79.63 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.16 -0.927 . . . . 73.5 111.208 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -60.13 -32.59 71.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.326 1.05 . . . . 52.22 112.336 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -67.67 -48.27 67.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 74.2 110.795 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.405 ' HD2' HD13 ' A' ' 59' ' ' ILE . 38.6 mtt180 -58.37 -40.49 82.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.468 0.707 . . . . 74.13 112.367 173.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 32' ' ' CYS . 82.0 mt -61.53 -48.64 80.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.566 0.346 . . . . 75.13 110.246 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -59.11 -20.76 56.44 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.264 0.838 . . . . 51.53 113.264 175.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.39 -38.65 13.17 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.216 0.606 . . . . 64.54 111.137 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 62' ' ' ILE . 98.6 mt -86.03 -12.18 50.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.741 0.816 . . . . 61.23 112.177 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.5 t -105.42 102.18 35.87 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 42.25 109.502 174.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -75.73 22.39 0.47 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.252 2.635 . . . . 75.22 114.094 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLY . . . . . 0.496 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -103.42 5.23 48.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.585 -0.564 . . . . 62.2 114.305 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.46 120.99 82.23 Favored Pre-proline 0 N--CA 1.487 1.419 0 CA-C-N 117.716 0.758 . . . . 72.52 109.974 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.46 80.85 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 123.424 2.749 . . . . 65.03 115.275 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 49.88 25.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 116.276 1.954 . . . . 74.4 116.276 167.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.46 123.79 3.18 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 122.327 -0.233 . . . . 44.33 113.494 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -177.65 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 40.14 111.062 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 50.51 82.58 0.05 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.287 1.035 . . . . 75.53 110.627 -166.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' B' ' 53' ' ' GLU . 66.8 mt -56.02 157.75 4.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.196 1.399 . . . . 71.15 114.047 -171.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -66.15 156.73 33.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.311 -0.859 . . . . 50.15 111.103 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -46.97 -40.02 13.56 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.056 0.942 . . . . 75.24 112.726 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 29' ' ' MET . 11.2 t -71.29 -51.5 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.26 0.624 . . . . 63.11 111.124 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' B' ' 49' ' ' LEU . 48.5 mm-40 -56.96 -34.76 68.37 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.28 1.032 . . . . 71.33 112.741 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 58' ' ' VAL . 86.0 mt -64.37 -49.03 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.362 0.665 . . . . 54.14 110.626 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 36' ' ' LEU . 87.6 mt -52.61 -46.18 66.91 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.402 0.681 . . . . 72.23 111.441 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.05 -45.54 84.95 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.961 -1.018 . . . . 62.42 111.362 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -29.89 70.92 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.382 0.673 . . . . 74.2 112.657 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 62' ' ' ILE . 72.8 t -64.29 -47.24 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 109.787 -0.449 . . . . 74.22 109.787 172.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.652 HG21 ' HE ' ' A' ' 35' ' ' ARG . 73.4 mt -62.79 -37.97 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 123.136 0.574 . . . . 71.31 110.857 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -67.35 -34.91 78.32 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.248 0.619 . . . . 71.15 111.589 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.616 ' HB2' HG13 ' B' ' 40' ' ' VAL . 52.8 t80 -59.97 -47.78 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.547 1.139 . . . . 73.11 110.635 173.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.48 HG12 ' HE2' ' A' ' 61' ' ' TYR . 61.4 mt -62.68 -49.98 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 123.71 0.804 . . . . 63.33 110.723 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -32.04 73.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.859 0.863 . . . . 75.32 112.164 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.03 -39.41 93.32 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.194 0.598 . . . . 62.35 110.817 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 83.0 mt -69.62 -44.76 70.03 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.484 0.714 . . . . 73.35 111.844 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.47 -51.69 33.68 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.977 0.911 . . . . 62.33 113.158 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.53 128.22 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.513 0.725 . . . . 71.34 111.904 -173.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 CA--C 1.566 1.592 0 C-N-CA 123.813 0.845 . . . . 36.97 109.989 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 112.862 0.69 . . . . 73.11 112.862 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.58 -33.79 76.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.307 0.243 . . . . 74.4 110.834 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.3 ttm -61.82 -39.39 91.6 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.66 0.784 . . . . 75.43 111.792 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -63.58 -50.39 69.65 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.598 0.759 . . . . 64.0 110.814 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.06 -35.13 79.7 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.794 0.838 . . . . 73.44 112.074 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 m -66.47 -53.88 30.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.706 0.802 . . . . 63.24 111.317 175.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.72 -35.93 75.53 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.21 0.604 . . . . 73.43 112.512 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -63.35 -49.39 74.07 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.965 0.506 . . . . 64.33 111.011 175.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.81 -38.22 87.33 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.474 1.11 . . . . 53.22 112.016 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 58' ' ' VAL . 94.5 mt -62.14 -51.03 69.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.344 0.658 . . . . 71.3 110.727 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -56.71 -22.86 38.25 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.215 0.821 . . . . 72.24 113.215 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -87.91 -32.57 18.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.562 0.745 . . . . 62.11 111.275 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.7 -25.49 24.74 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.699 0.8 . . . . 73.3 112.13 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 57' ' ' ARG . 87.9 t -92.62 119.43 67.96 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.646 0.778 . . . . 64.11 111.725 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.14 173.6 13.68 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.092 2.528 . . . . 75.34 112.4 169.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.1 87.99 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 114.134 0.413 . . . . 74.4 114.134 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -90.56 110.76 43.47 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.739 0.815 . . . . 70.14 109.438 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.21 135.72 35.23 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.353 2.035 . . . . 72.23 112.229 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -65.76 -31.29 72.18 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.436 0.694 . . . . 52.04 112.085 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.82 24.9 15.43 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-O 120.052 -0.305 . . . . 61.32 113.501 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.1 m -140.04 103.88 4.72 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.556 0.742 . . . . 74.25 110.593 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.64 95.58 5.95 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.801 -0.444 . . . . 63.34 109.801 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 53' ' ' GLU . 83.5 mt -63.74 129.28 39.45 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.888 -0.597 . . . . 73.32 110.596 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.8 m -80.3 -77.72 0.19 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.215 0.606 . . . . 54.05 112.545 -169.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.89 -73.68 0.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.375 0.67 . . . . 64.11 111.108 -174.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.75 -32.61 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 115.856 -0.611 . . . . 60.24 110.86 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 46.5 mt-10 -53.71 -43.82 69.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.951 0.901 . . . . 75.2 111.736 172.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.6 mt -63.28 -50.05 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 122.968 0.507 . . . . 75.41 110.277 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 59' ' ' ILE . 96.1 mt -52.33 -49.41 64.32 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.744 0.817 . . . . 72.13 112.426 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.98 -44.19 94.63 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.087 0.955 . . . . 54.25 111.676 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 57' ' ' ARG . 1.2 mmp_? -62.36 -37.68 86.62 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.575 0.75 . . . . 73.31 112.08 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 36' ' ' LEU . 83.2 t -65.16 -42.6 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 122.528 0.331 . . . . 73.12 110.305 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 60.6 mt -60.95 -44.86 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.071 0.548 . . . . 73.25 110.65 175.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.24 -45.54 83.83 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.697 0.799 . . . . 72.23 111.403 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -58.14 -42.94 86.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.987 0.915 . . . . 72.43 111.603 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 58' ' ' VAL . 63.5 mt -70.69 -25.88 27.27 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 C-N-CA 122.81 0.444 . . . . 61.24 110.989 177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 90.6 mt -68.4 -29.77 68.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.889 0.475 . . . . 73.33 111.41 171.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.68 -33.97 73.29 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.981 0.512 . . . . 73.51 111.373 169.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.9 mt -71.74 -39.65 69.92 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.176 0.591 . . . . 75.12 111.289 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.489 1.476 0 C-N-CA 124.289 1.036 . . . . 73.51 111.458 -179.343 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.773 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 111.501 0.185 . . . . 73.13 111.501 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.77 -52.86 21.55 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.125 0.417 . . . . 65.24 112.125 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 33.5 ttm -58.83 -45.88 89.0 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.461 0.704 . . . . 61.15 111.75 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.773 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 46.6 t30 -63.7 -36.6 84.38 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.773 0.829 . . . . 65.23 111.545 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -70.35 -43.46 70.15 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.103 0.561 . . . . 75.3 110.709 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.82 -37.97 89.41 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.638 0.775 . . . . 63.0 112.122 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.3 -40.46 90.03 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.623 0.769 . . . . 64.02 111.767 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 35.5 t -67.5 -37.82 83.39 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.245 0.618 . . . . 65.51 111.126 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -68.4 -29.49 68.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.944 1.298 . . . . 62.5 111.256 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 40' ' ' VAL . 96.3 mt -60.32 -54.99 39.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.021 0.529 . . . . 72.11 109.953 165.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.662 HH12 ' HD2' ' B' ' 57' ' ' ARG . 24.0 mmt180 -63.2 -16.73 61.08 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.027 1.121 . . . . 73.12 114.027 -176.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 34' ' ' SER . 40.6 mm-40 -69.82 -44.21 70.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.233 0.54 . . . . 70.45 110.272 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.35 -19.63 26.4 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.083 -0.962 . . . . 71.44 112.05 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.458 HG21 HG22 ' B' ' 58' ' ' VAL . 61.3 t -89.19 112.12 49.28 Favored Pre-proline 0 N--CA 1.488 1.438 0 C-N-CA 123.311 0.645 . . . . 74.41 110.306 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.5 -11.07 30.35 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.629 2.219 . . . . 72.42 113.6 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.75 71.04 2.62 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 123.028 0.347 . . . . 70.12 113.45 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' B' ' 37' ' ' ARG . 21.6 t -139.96 111.48 7.35 Favored Pre-proline 0 N--CA 1.489 1.483 0 C-N-CA 123.461 0.704 . . . . 72.04 109.567 174.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.49 137.95 23.69 Favored 'Trans proline' 0 CA--C 1.558 1.702 0 C-N-CA 122.412 2.075 . . . . 61.53 112.032 174.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -68.17 138.3 55.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.732 0.413 . . . . 72.24 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.72 -28.61 3.93 Favored Glycine 0 CA--C 1.541 1.679 0 CA-C-N 116.609 -0.269 . . . . 61.21 113.638 -175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.6 m -79.51 109.26 13.72 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.185 0.994 . . . . 75.44 110.227 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -74.37 -33.78 63.18 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.49 0.716 . . . . 63.33 112.548 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt 64.37 -176.62 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.335 1.054 . . . . 71.14 112.741 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' SER . . . . . 0.41 ' O ' HG13 ' B' ' 54' ' ' ILE . 74.4 m -142.98 170.84 14.94 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.426 0.528 . . . . 70.54 112.426 -176.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.54 -53.89 33.12 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.251 1.421 . . . . 75.32 113.966 -170.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.28 -35.9 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.799 0.44 . . . . 73.14 111.205 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -36.08 72.17 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.763 0.825 . . . . 72.21 110.391 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.631 HG12 ' HE ' ' B' ' 37' ' ' ARG . 18.7 mt -63.58 -51.79 65.8 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 116.293 -0.412 . . . . 74.42 110.566 175.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 59' ' ' ILE . 98.2 mt -54.26 -46.71 72.71 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.227 0.611 . . . . 62.34 112.308 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -54.09 -55.96 22.61 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.46 1.104 . . . . 72.32 112.239 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.662 ' HD2' HH12 ' B' ' 37' ' ' ARG . 14.4 ttm-85 -72.72 -24.5 60.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.277 -0.874 . . . . 73.43 111.943 -172.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.458 HG22 HG21 ' B' ' 40' ' ' VAL . 67.4 t -71.85 -41.13 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.936 0.494 . . . . 62.34 110.567 171.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 68.7 mt -60.28 -50.4 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 118.063 0.392 . . . . 73.22 110.55 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -54.14 -45.8 72.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.478 0.711 . . . . 64.34 111.63 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 53.1 t80 -54.57 -49.25 70.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.824 1.25 . . . . 62.21 111.421 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.71 -38.59 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 124.281 1.032 . . . . 75.11 111.757 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 97.0 mt -65.38 -37.08 85.92 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.231 0.612 . . . . 73.2 112.428 -177.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -61.0 -46.34 91.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.878 0.471 . . . . 51.24 110.872 173.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 66.3 mt -69.89 -39.16 76.43 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.781 0.833 . . . . 54.43 112.13 -176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -70.25 -30.06 67.02 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.277 1.031 . . . . 74.22 111.687 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t 61.62 86.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 124.781 1.232 . . . . 70.22 110.964 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 CA--C 1.563 1.445 0 C-N-CA 123.759 0.824 . . . . 62.11 111.205 -175.248 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 109.901 -0.407 . . . . 73.43 109.901 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.41 -44.75 80.62 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.87 0.868 . . . . 71.02 111.922 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.626 ' HB2' HG22 ' B' ' 52' ' ' VAL . 17.6 ttm -62.97 -41.02 99.42 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.926 0.89 . . . . 73.53 112.439 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.39 -40.95 96.25 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.417 0.627 . . . . 63.32 111.167 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.59 -37.04 84.07 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 123.893 0.877 . . . . 74.43 110.903 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.6 m -66.0 -40.94 91.55 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.627 0.771 . . . . 62.41 111.755 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.74 -36.65 84.19 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.749 0.82 . . . . 74.1 112.042 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 t -59.78 -49.74 76.53 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.854 -0.612 . . . . 72.14 110.699 171.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HE ' HD13 ' B' ' 59' ' ' ILE . 62.5 mtp85 -60.78 -36.47 79.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.032 0.933 . . . . 73.24 113.373 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD22 ' B' ' 55' ' ' LEU . 82.0 mt -58.99 -54.17 50.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.536 0.334 . . . . 74.23 110.481 172.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -62.78 -20.31 64.87 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.612 0.765 . . . . 73.23 112.268 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.5 mm-40 -78.79 -35.44 44.37 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.971 0.509 . . . . 74.45 111.016 175.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.2 mt -88.12 -12.94 42.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.783 0.833 . . . . 70.43 112.694 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 61' ' ' TYR . 49.8 t -102.89 101.3 20.2 Favored Pre-proline 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 63.11 110.376 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.38 -12.49 14.05 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 122.664 2.243 . . . . 63.54 112.928 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.62 54.22 4.79 Favored Glycine 0 N--CA 1.481 1.637 0 C-N-CA 123.32 0.486 . . . . 12.24 113.254 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.12 120.72 29.05 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.882 0.873 . . . . 72.1 110.281 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.88 119.58 6.82 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.622 2.215 . . . . 71.35 111.763 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -63.63 -34.63 78.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.634 0.774 . . . . 53.43 111.821 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.17 10.4 34.9 Favored Glycine 0 CA--C 1.544 1.875 0 N-CA-C 114.607 0.603 . . . . 75.54 114.607 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.7 m -103.58 -57.11 2.09 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 117.778 0.789 . . . . 73.42 111.535 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 62.91 106.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.285 1.034 . . . . 70.11 111.07 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -83.17 138.1 33.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.274 -0.875 . . . . 74.22 112.585 -172.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -98.01 -177.56 3.79 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.153 -0.684 . . . . 32.05 109.153 163.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -46.95 -51.94 15.78 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.037 1.495 . . . . 73.42 115.037 -166.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' B' ' 29' ' ' MET . 36.5 t -71.18 -40.89 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 122.852 0.461 . . . . 71.22 111.531 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.14 -28.01 68.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.33 0.652 . . . . 73.45 111.776 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 58' ' ' VAL . 73.4 mt -62.11 -52.42 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 122.608 0.363 . . . . 71.11 110.161 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD22 HD11 ' B' ' 36' ' ' LEU . 95.8 mt -52.64 -45.42 66.66 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.631 0.773 . . . . 44.14 112.19 178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.25 -51.97 67.56 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.183 -0.917 . . . . 72.41 111.578 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -66.93 -24.63 66.11 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.569 0.748 . . . . 62.22 112.652 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.7 t -68.28 -46.32 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.625 0.37 . . . . 62.2 110.044 172.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt -60.34 -44.35 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 122.884 0.474 . . . . 63.43 110.32 176.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -59.76 -42.15 92.6 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.016 0.926 . . . . 75.33 112.006 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.582 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.1 t80 -57.98 -46.91 84.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.623 0.769 . . . . 74.11 111.45 174.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 71.2 mt -65.74 -35.51 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 CA-C-N 115.766 -0.652 . . . . 72.1 110.4 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 91.4 mt -59.46 -41.43 89.68 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.216 0.606 . . . . 62.15 111.739 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.59 -34.59 67.32 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.61 0.764 . . . . 74.34 111.851 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 mt -83.81 -33.1 25.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.579 0.751 . . . . 72.11 112.405 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 77.4 mm-40 . . . . . 0 N--CA 1.487 1.412 0 C-N-CA 123.305 0.642 . . . . 73.11 111.822 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.948 0.404 . . . . 74.3 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -50.41 -38.24 41.97 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 114.898 -1.046 . . . . 61.12 110.667 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.496 ' HB2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -53.78 -50.85 65.17 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.528 1.131 . . . . 62.0 112.451 170.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.26 -41.33 90.07 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.439 0.696 . . . . 73.33 111.167 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -67.09 -40.8 87.02 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.321 0.648 . . . . 45.34 110.978 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.72 -39.67 94.04 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.827 0.851 . . . . 61.11 111.781 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.57 -43.58 89.44 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.931 0.892 . . . . 74.42 112.034 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 39.5 m -58.87 -44.11 90.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.23 -0.896 . . . . 62.44 110.801 176.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -34.07 73.3 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.498 0.719 . . . . 63.12 111.694 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 55' ' ' LEU . 81.4 mt -57.21 -52.18 66.36 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.875 0.369 . . . . 73.21 110.217 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -53.21 -30.89 40.31 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.589 1.156 . . . . 72.51 112.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.7 mm-40 -78.25 -38.98 41.61 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.005 0.522 . . . . 72.23 110.87 -177.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.02 -17.85 56.59 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.501 0.72 . . . . 64.21 111.943 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.474 HG13 ' HB2' ' B' ' 61' ' ' TYR . 54.3 t -97.88 107.68 41.78 Favored Pre-proline 0 N--CA 1.488 1.47 0 C-N-CA 123.471 0.708 . . . . 71.32 111.473 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.92 -14.42 26.5 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.688 2.259 . . . . 64.2 112.665 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.05 -22.16 70.36 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 114.483 0.553 . . . . 52.31 114.483 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.93 123.0 85.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.167 0.587 . . . . 73.43 110.69 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.31 97.1 0.24 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.634 2.222 . . . . 62.44 111.963 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 58.42 -161.8 0.24 Allowed 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 124.362 1.065 . . . . 75.44 111.894 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.49 48.08 3.96 Favored Glycine 0 CA--C 1.542 1.747 0 O-C-N 121.775 -0.578 . . . . 73.11 113.298 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 86.0 m -79.85 137.38 36.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.458 0.703 . . . . 54.44 111.052 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -79.23 82.33 5.4 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.565 0.746 . . . . 72.11 109.784 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.96 163.09 28.22 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.628 -0.715 . . . . 42.14 110.677 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -62.14 141.13 58.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 109.495 -0.557 . . . . 45.51 109.495 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.96 -32.68 21.74 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.507 0.723 . . . . 72.43 112.542 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' MET . 14.0 t -71.06 -44.55 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.604 0.762 . . . . 70.33 111.226 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.22 -30.29 71.17 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.345 0.658 . . . . 73.03 111.392 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 58' ' ' VAL . 75.0 mt -64.93 -49.07 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.497 0.719 . . . . 65.23 109.924 172.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 36' ' ' LEU . 96.5 mt -53.57 -49.64 67.29 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.214 0.606 . . . . 61.5 111.663 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' B' ' 59' ' ' ILE . 79.9 mt-30 -64.35 -32.57 74.24 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.476 1.11 . . . . 75.01 112.29 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -74.15 -29.31 61.73 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 75.42 110.95 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 54' ' ' ILE . 91.7 t -72.09 -41.12 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.284 0.634 . . . . 63.1 110.169 172.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 56' ' ' GLN . 87.2 mt -58.98 -44.65 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.424 0.69 . . . . 73.44 110.21 173.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.39 -48.55 78.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.32 1.048 . . . . 73.42 111.315 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.474 ' HB2' HG13 ' B' ' 40' ' ' VAL . 55.6 t80 -56.59 -48.46 77.36 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.776 1.23 . . . . 71.51 111.846 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 73.7 mt -71.18 -37.82 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.358 0 C-N-CA 123.12 0.568 . . . . 74.25 111.455 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.19 -33.2 75.26 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.371 0.668 . . . . 61.02 111.681 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.49 -30.82 67.71 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.722 0.809 . . . . 60.21 111.173 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 89.6 mt -79.64 -43.96 21.85 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.433 0.693 . . . . 62.02 111.657 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.84 -166.42 1.48 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.287 1.035 . . . . 73.42 110.964 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.48 127.84 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.653 -0.499 . . . . 64.0 109.653 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.571 1.784 0 N-CA-C 113.319 0.859 . . . . 52.03 113.319 -177.031 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 113.017 0.747 . . . . 74.33 113.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.65 -39.88 71.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.937 0.895 . . . . 61.34 111.916 -172.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.1 ttm -58.68 -45.16 90.02 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.953 0.901 . . . . 75.45 112.003 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -64.81 -44.19 90.72 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.41 0.684 . . . . 75.02 111.322 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.98 -40.83 97.28 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.224 0.61 . . . . 72.4 111.232 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 80.0 m -62.56 -42.38 99.5 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.683 0.793 . . . . 70.23 111.931 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -69.02 -35.98 77.26 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.527 0.731 . . . . 72.24 112.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -64.26 -42.31 96.54 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.42 0.628 . . . . 64.04 110.376 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -31.74 69.51 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.074 1.349 . . . . 74.24 111.266 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 78.4 mt -62.51 -49.07 76.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.135 0.574 . . . . 34.22 109.728 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.91 -17.86 58.21 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 112.92 0.711 . . . . 75.32 112.92 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -84.4 -39.86 18.51 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.021 0.439 . . . . 73.34 110.205 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' B' ' 62' ' ' ILE . 93.1 mt -80.25 -23.49 40.79 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.419 0.688 . . . . 73.14 112.721 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.5 t -94.17 109.94 45.29 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.626 0.77 . . . . 64.05 111.271 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.56 75.66 4.93 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.805 2.337 . . . . 45.23 111.79 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.22 13.3 0.04 OUTLIER Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.449 -0.796 . . . . 51.21 114.353 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 HD12 ' A' ' 49' ' ' LEU . 61.6 t -96.02 114.85 64.99 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.583 0.753 . . . . 72.22 109.585 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 51.1 Cg_exo -54.62 152.78 26.13 Favored 'Trans proline' 0 CA--C 1.566 2.091 0 C-N-CA 122.97 2.447 . . . . 70.53 114.846 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.28 105.44 4.68 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.296 0.638 . . . . 74.04 111.916 -175.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.58 39.47 29.83 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.147 -0.478 . . . . 62.04 113.059 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 7.3 t -84.85 -32.12 23.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.166 0.586 . . . . 72.1 112.133 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 58.0 47.73 14.39 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.123 0.969 . . . . 72.12 111.834 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 HG13 ' A' ' 43' ' ' VAL . 78.4 mt -56.63 122.23 11.57 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.435 0.294 . . . . 65.24 110.736 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -74.89 177.44 6.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.898 0.38 . . . . 55.42 111.196 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.27 -44.65 44.04 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.307 1.443 . . . . 73.14 114.15 -166.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.4 t -72.63 -43.96 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 122.852 0.461 . . . . 74.31 111.771 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.35 -29.79 70.71 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.324 0.649 . . . . 73.32 112.42 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.0 mt -63.92 -47.4 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 122.918 0.487 . . . . 75.52 110.61 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 36' ' ' LEU . 99.4 mt -56.15 -39.47 72.35 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.197 0.599 . . . . 75.41 111.978 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.87 -43.14 99.45 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 123.57 0.748 . . . . 74.31 111.19 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -67.71 -33.43 74.89 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.716 0.806 . . . . 72.14 111.994 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' B' ' 58' ' ' VAL . 91.0 t -65.4 -40.99 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 122.631 0.372 . . . . 74.03 110.502 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.46 -50.66 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 122.927 0.491 . . . . 62.41 110.206 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -50.41 -50.82 50.71 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.676 0.79 . . . . 72.24 111.714 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.484 ' HB2' HG13 ' A' ' 40' ' ' VAL . 48.6 t80 -57.49 -55.63 32.34 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.993 0.917 . . . . 72.04 112.33 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.66 -26.44 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 C-N-CA 122.855 0.462 . . . . 73.22 111.902 -174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.66 -49.76 76.48 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.007 0.523 . . . . 72.05 112.143 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.55 -31.22 71.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.383 0.673 . . . . 75.22 112.803 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.11 -40.2 71.61 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.383 0.611 . . . . 65.14 111.152 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 . . . . . 0 N--CA 1.478 0.968 0 CA-C-N 115.257 -0.883 . . . . 72.45 110.567 178.375 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.546 0.815 0 CA-C-O 121.135 0.493 . . . . 74.31 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.53 -35.05 39.08 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.281 1.032 . . . . 65.13 111.438 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.61 ' HG2' HG22 ' A' ' 52' ' ' VAL . 5.1 mtp -60.77 -48.52 81.43 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.284 -0.871 . . . . 74.22 111.811 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.72 -31.8 72.69 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.429 0.692 . . . . 72.11 111.557 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -67.77 -39.24 84.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.654 0.381 . . . . 73.1 111.356 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.08 -44.97 75.08 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.226 0.61 . . . . 71.4 111.234 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -59.41 -37.87 79.13 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.553 1.141 . . . . 73.44 111.805 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.42 -43.95 95.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.476 0.71 . . . . 42.14 110.955 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -69.82 -30.61 68.17 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.054 0.542 . . . . 63.25 111.731 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 55' ' ' LEU . 90.7 mt -62.37 -44.14 97.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.165 -0.309 . . . . 53.22 110.165 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.476 HH12 ' HB2' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -68.91 -7.59 36.31 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 112.901 0.704 . . . . 62.24 112.901 177.624 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -93.47 -39.13 11.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.465 0.706 . . . . 71.43 110.134 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.67 -11.18 54.44 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.362 -0.836 . . . . 70.43 112.799 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.49 94.9 24.46 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 123.333 0.653 . . . . 61.23 111.112 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.23 -5.11 16.6 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.677 2.251 . . . . 74.44 113.019 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.37 56.39 4.41 Favored Glycine 0 C--N 1.359 1.827 0 CA-C-O 121.395 0.441 . . . . 74.51 112.866 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 49' ' ' LEU . 74.4 t -131.73 126.07 20.74 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 124.973 1.309 . . . . 72.32 109.156 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.37 135.57 68.75 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.581 2.187 . . . . 73.24 112.277 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -69.14 146.83 52.16 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.142 0.577 . . . . 65.4 111.743 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.11 42.17 98.17 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-N 116.35 -0.386 . . . . 71.04 113.333 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -135.19 116.46 14.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.32 0.648 . . . . 72.45 111.128 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -85.06 114.38 22.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.594 0.757 . . . . 53.25 110.147 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 43' ' ' VAL . 84.6 mt -96.18 122.5 39.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.967 0.507 . . . . 75.43 111.784 -176.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.4 m -78.63 174.91 10.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.702 0.801 . . . . 70.03 110.614 173.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -49.46 -51.4 36.0 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.91 1.448 . . . . 71.42 114.91 -172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.73 -40.65 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 122.586 0.354 . . . . 72.03 110.527 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.41 -37.57 67.8 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.938 0.895 . . . . 71.21 111.813 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.15 -51.32 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.481 0.712 . . . . 63.51 111.065 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.93 -44.15 78.05 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.028 0.931 . . . . 64.14 111.967 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -62.82 -41.96 99.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.943 0.897 . . . . 72.55 111.64 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.476 ' HB2' HH12 ' B' ' 37' ' ' ARG . 1.7 mmp_? -71.91 -29.76 64.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.782 0.833 . . . . 72.12 112.184 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' A' ' 58' ' ' VAL . 55.6 t -68.28 -52.93 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.713 0.405 . . . . 52.42 110.222 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.34 -47.93 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.612 0.765 . . . . 64.43 111.131 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -57.44 -42.99 83.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.606 0.763 . . . . 72.05 111.916 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.45 -46.31 89.11 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.988 0.915 . . . . 74.22 112.105 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 39' ' ' LEU . 82.3 mt -64.72 -40.01 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 122.925 0.49 . . . . 73.42 110.918 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.94 -31.82 72.66 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.439 0.696 . . . . 64.4 111.436 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.05 -32.84 74.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.427 0.691 . . . . 74.52 111.158 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -83.76 -41.39 17.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.057 0.543 . . . . 55.04 112.325 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -79.06 -58.57 3.17 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.246 0.619 . . . . 62.03 111.327 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.43 85.75 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 122.119 0.962 . . . . 75.13 110.377 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.567 1.598 0 CA-C-N 114.596 -1.183 . . . . 55.15 110.195 176.79 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 109.587 -0.523 . . . . 65.14 109.587 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.6 -40.14 62.37 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.342 1.057 . . . . 72.12 111.875 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' HG22 ' B' ' 52' ' ' VAL . 21.7 ttm -59.38 -47.16 86.48 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.645 0.778 . . . . 74.31 112.18 173.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.03 -43.07 96.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.454 0.702 . . . . 63.12 110.966 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.72 -37.45 79.48 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.76 0.824 . . . . 72.43 111.595 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.1 m -64.9 -40.1 94.55 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.387 0.675 . . . . 64.32 111.363 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -62.62 -41.43 99.0 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.726 0.81 . . . . 73.52 112.135 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -58.8 -48.06 82.58 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.349 0.66 . . . . 64.41 110.929 173.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -66.47 -34.84 78.83 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.075 0.95 . . . . 70.22 112.433 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . 52.9 mt -59.75 -55.02 39.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.168 0.587 . . . . 53.22 110.345 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -34.98 68.01 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.331 1.052 . . . . 73.42 110.423 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.11 -39.25 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.63 0.772 . . . . 75.44 111.565 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.03 -13.87 61.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.799 0.84 . . . . 71.2 112.174 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 57' ' ' ARG . 57.0 t -101.88 109.48 59.79 Favored Pre-proline 0 CA--C 1.564 1.487 0 C-N-CA 123.708 0.803 . . . . 75.12 111.779 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.32 -16.63 15.27 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 123.171 2.581 . . . . 73.44 112.965 170.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 55.07 5.0 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 123.373 0.511 . . . . 70.43 113.585 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.44 132.34 24.28 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.898 1.279 . . . . 63.3 108.978 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.2 122.51 11.68 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.607 2.205 . . . . 41.51 112.02 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -58.87 124.3 19.36 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.678 0.791 . . . . 74.54 111.12 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.62 -2.48 73.51 Favored Glycine 0 N--CA 1.477 1.384 0 N-CA-C 114.329 0.492 . . . . 64.11 114.329 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.1 m -95.86 126.15 40.91 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.452 0.701 . . . . 53.34 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -71.42 -31.12 66.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.654 0.782 . . . . 74.11 111.993 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt 67.01 -171.92 0.19 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.762 1.225 . . . . 72.4 112.312 -176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.648 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 61.9 m -132.52 175.47 9.27 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.831 1.252 . . . . 74.32 110.501 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -57.79 -47.36 82.79 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.644 0.778 . . . . 73.41 111.957 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.1 t -71.94 -39.38 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 115.57 -0.741 . . . . 74.35 111.009 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.648 ' HB2' ' H ' ' A' ' 50' ' ' SER . 42.3 mm-40 -53.13 -48.66 67.72 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.778 0.831 . . . . 73.0 112.084 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -58.11 -45.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 73.51 111.486 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 HD11 ' B' ' 36' ' ' LEU . 94.4 mt -51.28 -49.05 62.01 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.798 0.439 . . . . 72.42 111.687 172.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.28 -45.64 93.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.583 0.753 . . . . 72.03 111.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.671 ' HB3' HG11 ' A' ' 40' ' ' VAL . 30.2 mmt180 -59.64 -36.91 77.31 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.975 0.91 . . . . 74.51 111.334 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' B' ' 58' ' ' VAL . 94.1 t -69.48 -42.67 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.564 0.746 . . . . 74.52 111.479 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.556 HD13 ' HE ' ' B' ' 35' ' ' ARG . 88.2 mt -58.16 -50.75 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 122.92 0.488 . . . . 64.55 110.262 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -62.16 -36.02 80.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.774 0.83 . . . . 74.44 112.49 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.582 0.753 . . . . 72.5 111.4 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.58 HG21 ' HB3' ' B' ' 39' ' ' LEU . 55.0 mt -73.34 -35.88 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.841 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -58.81 -33.88 70.87 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.275 0.63 . . . . 74.04 111.67 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -37.64 88.23 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 123.677 0.791 . . . . 73.31 111.025 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 mt -79.24 -32.92 43.95 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.749 0.819 . . . . 72.23 112.159 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 123.855 0.862 . . . . 73.04 111.291 -177.526 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.156 0.503 . . . . 70.24 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.97 -34.38 69.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.169 0.988 . . . . 62.42 112.003 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.644 ' HG2' HG22 ' A' ' 52' ' ' VAL . 48.3 mtp -68.71 -39.85 80.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.788 0.435 . . . . 73.54 111.243 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.16 -28.65 64.42 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.222 0.609 . . . . 74.34 110.641 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -61.59 -44.57 96.77 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.434 0.694 . . . . 74.43 110.374 170.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.48 -38.26 84.12 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.396 0.679 . . . . 73.12 112.102 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.62 -35.23 80.33 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.918 0.887 . . . . 61.53 112.096 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -63.26 -46.24 87.79 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.108 0.563 . . . . 62.33 110.744 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.556 ' HE ' HD13 ' A' ' 59' ' ' ILE . 13.6 mtp180 -61.88 -34.37 75.89 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.871 0.869 . . . . 72.24 112.772 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 55' ' ' LEU . 88.6 mt -60.34 -54.26 47.75 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.733 0.413 . . . . 71.35 110.38 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -66.35 -12.16 55.23 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.6 0.963 . . . . 75.34 113.6 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.91 -29.38 20.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 120.924 0.393 . . . . 75.44 111.048 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.1 mt -96.33 -5.45 39.98 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.243 1.017 . . . . 54.13 112.779 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 61' ' ' TYR . 62.1 t -111.34 97.69 36.83 Favored Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 123.063 0.545 . . . . 63.35 110.959 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -82.63 -5.59 11.63 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.146 2.564 . . . . 53.21 113.115 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.37 50.08 4.34 Favored Glycine 0 C--N 1.359 1.849 0 C-N-CA 123.08 0.371 . . . . 43.5 112.782 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 HG12 ' B' ' 40' ' ' VAL . 95.0 t -129.68 135.43 27.51 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.727 1.211 . . . . 74.45 109.412 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.01 124.78 16.43 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.454 2.103 . . . . 71.42 111.098 170.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 6.3 mpt_? -75.34 130.41 38.99 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.26 0.624 . . . . 72.21 111.073 -171.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.02 21.94 54.0 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 116.023 -0.535 . . . . 73.32 113.89 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -93.94 177.13 6.08 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.194 0.598 . . . . 72.54 111.041 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -117.78 101.0 7.96 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.484 0.713 . . . . 71.53 110.216 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.07 113.29 25.23 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.975 0.51 . . . . 55.13 111.556 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 165.65 21.7 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 115.803 -0.635 . . . . 54.22 110.272 165.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -55.98 -34.44 65.74 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.668 0.787 . . . . 70.11 113.017 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 29' ' ' MET . 48.3 t -71.88 -44.58 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.071 0.548 . . . . 75.32 110.633 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.6 mm-40 -59.42 -37.39 77.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.859 0.864 . . . . 71.44 112.172 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.1 mt -57.8 -52.12 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.664 0.786 . . . . 73.45 110.718 176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.434 HD22 HD11 ' A' ' 36' ' ' LEU . 91.7 mt -53.02 -42.68 65.9 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.738 0.815 . . . . 63.42 111.775 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.09 -47.95 82.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.814 0.846 . . . . 74.33 112.131 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 53' ' ' GLU . 19.2 mmt-85 -69.7 -24.7 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.955 0.502 . . . . 74.51 111.875 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -68.17 -44.84 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 122.834 0.454 . . . . 53.13 110.448 170.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.32 -46.57 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.966 0.506 . . . . 62.21 110.76 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -56.52 -42.97 79.31 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.899 0.879 . . . . 74.31 111.567 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.566 ' HB2' HG13 ' B' ' 40' ' ' VAL . 59.3 t80 -58.3 -55.31 36.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.3 1.04 . . . . 73.44 111.72 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 82.4 mt -62.72 -48.77 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.346 0.658 . . . . 63.53 111.365 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.59 -35.05 75.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.386 0.674 . . . . 72.33 111.989 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.85 -30.66 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.593 0.757 . . . . 73.03 111.622 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.64 -36.67 28.59 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.33 0.652 . . . . 73.31 111.719 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 16.6 mm100 -70.92 -67.39 0.51 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 64.23 111.808 -175.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.18 153.34 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.885 0.874 . . . . 71.34 111.754 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.565 1.529 0 C-N-CA 123.592 0.757 . . . . 73.23 112.354 178.197 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 121.195 0.522 . . . . 71.42 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.24 -44.04 89.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.701 0.801 . . . . 63.42 109.795 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 ttm -53.15 -45.52 68.46 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.343 1.057 . . . . 42.15 112.577 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -45.3 85.44 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.398 0.679 . . . . 62.1 110.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.85 -45.26 95.24 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.939 0.896 . . . . 75.3 110.917 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -64.26 -39.27 93.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.501 1.12 . . . . 44.34 112.45 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 -44.99 95.47 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.392 0.677 . . . . 75.44 111.958 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 22.8 t -64.71 -41.83 95.72 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.874 -0.603 . . . . 65.41 110.368 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' HD3' HD13 ' B' ' 59' ' ' ILE . 50.1 ttt180 -63.09 -34.47 77.66 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.577 1.151 . . . . 70.5 112.454 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 68.8 mt -61.69 -52.31 64.83 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.242 0.544 . . . . 70.0 109.745 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' NH1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.39 -22.28 66.9 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.483 1.113 . . . . 53.3 111.814 -174.304 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' SER . 48.7 mm-40 -66.31 -41.89 89.07 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.451 0.7 . . . . 74.24 110.763 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.8 mt -93.11 -3.44 54.11 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.858 -1.065 . . . . 53.41 113.213 -170.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 36' ' ' LEU . 45.9 t -100.55 102.36 18.66 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 122.823 0.449 . . . . 75.44 111.45 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.79 -9.58 14.45 Favored 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.515 2.143 . . . . 70.33 112.394 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 -10.01 58.33 Favored Glycine 0 C--N 1.361 1.937 0 C-N-CA 123.461 0.553 . . . . 75.5 114.295 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 HD11 ' A' ' 49' ' ' LEU . 79.8 t -56.48 125.34 66.15 Favored Pre-proline 0 CA--C 1.565 1.523 0 C-N-CA 123.838 0.855 . . . . 75.22 111.324 172.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.22 149.54 88.57 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.301 2.0 . . . . 62.25 112.787 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.43 111.8 2.47 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.567 1.147 . . . . 62.3 112.999 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.48 81.43 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.184 0.834 . . . . 73.11 115.184 173.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -82.99 141.98 31.7 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.323 0.561 . . . . 73.0 111.166 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -53.4 51.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.209 1.004 . . . . 73.13 111.589 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.537 HD11 HG13 ' A' ' 43' ' ' VAL . 44.0 mt 66.63 121.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.687 1.595 . . . . 74.03 114.283 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -75.74 161.37 29.11 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.469 0.707 . . . . 74.45 110.484 167.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.84 -26.49 68.64 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.892 0.477 . . . . 73.41 111.427 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.632 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.9 t -71.63 -42.96 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 115.939 -0.573 . . . . 74.11 110.065 174.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.884 -0.598 . . . . 34.32 111.417 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.9 mt -55.45 -52.96 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.879 0.472 . . . . 71.33 110.488 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD22 HD11 ' B' ' 36' ' ' LEU . 94.6 mt -54.62 -48.57 72.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.743 0.817 . . . . 73.45 112.538 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 59' ' ' ILE . 54.2 mt-30 -68.41 -35.67 77.99 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.76 0.824 . . . . 63.33 112.554 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 94.5 mtt-85 -78.78 -18.76 53.64 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.306 0.642 . . . . 72.25 112.014 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.3 t -72.86 -41.25 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 109.853 -0.425 . . . . 74.24 109.853 166.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -55.02 -53.99 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 109.451 -0.574 . . . . 75.23 109.451 170.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 57' ' ' ARG . 22.1 t70 -52.86 -43.24 65.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.64 1.576 . . . . 75.33 112.617 175.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HB2' HG13 ' A' ' 40' ' ' VAL . 43.8 t80 -58.79 -51.03 71.72 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.531 1.133 . . . . 73.0 111.611 175.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 39' ' ' LEU . 88.5 mt -64.76 -35.1 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.066 0.946 . . . . 75.55 111.524 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 83.1 mt -65.41 -34.56 78.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.378 0.671 . . . . 63.35 111.517 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.74 -36.5 67.75 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.657 0.783 . . . . 61.34 111.309 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.82 -45.8 92.27 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.494 0.664 . . . . 75.51 111.382 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 . . . . . 0 N--CA 1.481 1.09 0 CA-C-N 114.715 -1.13 . . . . 73.12 111.391 179.418 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.238 0.542 . . . . 75.22 110.618 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.92 -30.84 69.32 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.847 0.859 . . . . 72.24 111.883 -175.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 52' ' ' VAL . 43.0 mtp -73.21 -32.95 65.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.456 0.702 . . . . 64.41 112.168 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.56 -33.8 76.76 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.223 0.609 . . . . 73.21 111.17 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -59.28 -45.09 92.19 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.311 0.644 . . . . 75.25 110.499 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 m -66.57 -44.0 83.47 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.902 -1.045 . . . . 42.42 111.567 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.33 -44.68 95.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.295 1.038 . . . . 74.03 112.663 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 50.2 m -58.19 -45.7 87.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.707 0.803 . . . . 62.23 110.52 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.02 -32.4 70.55 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.808 1.243 . . . . 73.42 112.348 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.625 HD11 HD22 ' A' ' 55' ' ' LEU . 84.3 mt -58.32 -54.32 48.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.147 0.579 . . . . 75.12 110.439 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.417 ' HG2' HG21 ' B' ' 43' ' ' VAL . 10.4 ttp85 -55.14 -33.91 63.3 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.781 1.232 . . . . 71.13 112.577 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 34' ' ' SER . 24.2 mm-40 -67.96 -33.13 74.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.596 0.758 . . . . 74.52 111.578 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.485 ' HB3' HG21 ' A' ' 62' ' ' ILE . 91.8 mt -89.12 1.33 55.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.888 0.875 . . . . 73.12 112.45 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.7 t -110.05 100.3 43.0 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 123.297 0.639 . . . . 73.22 111.764 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -67.74 -8.45 22.47 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 123.131 2.554 . . . . 74.42 113.448 169.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.02 0.87 57.54 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 114.026 0.371 . . . . 44.03 114.026 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 37' ' ' ARG . 97.6 t -81.13 117.39 67.92 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.779 0.832 . . . . 73.12 110.316 170.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.81 151.16 85.07 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.912 2.408 . . . . 63.32 113.167 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -72.71 99.52 2.61 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.464 0.706 . . . . 72.33 110.102 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.19 75.07 1.26 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-N 116.316 -0.402 . . . . 65.13 112.485 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -140.56 173.06 11.87 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.957 0.903 . . . . 62.12 111.524 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -120.59 112.8 19.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.812 0.845 . . . . 71.31 110.359 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.24 102.28 6.38 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.703 0.801 . . . . 74.44 110.317 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 34.9 m -79.36 -75.13 0.26 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.783 0.433 . . . . 74.32 110.841 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -147.01 -55.76 0.25 Allowed 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 123.474 0.71 . . . . 73.14 110.948 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.12 -45.21 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.33 0.652 . . . . 53.42 110.393 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.64 -36.4 83.71 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.693 -1.139 . . . . 62.24 111.146 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.431 ' O ' HG23 ' B' ' 58' ' ' VAL . 58.8 mt -59.49 -50.39 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.358 0.663 . . . . 75.43 110.704 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 36' ' ' LEU . 95.9 mt -55.33 -42.37 73.69 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.281 0.632 . . . . 63.33 112.001 177.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -66.13 -35.88 81.68 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.975 0.91 . . . . 63.53 111.766 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -70.56 -34.28 72.05 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.888 0.475 . . . . 72.03 111.415 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.432 HG11 HG11 ' A' ' 58' ' ' VAL . 93.7 t -67.61 -44.77 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.016 0.526 . . . . 55.04 110.773 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.489 HD13 ' HD3' ' A' ' 35' ' ' ARG . 70.1 mt -60.55 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.932 -0.396 . . . . 75.2 109.932 174.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -56.22 -37.97 70.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.066 0.946 . . . . 43.24 111.892 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.531 ' HB2' HG13 ' B' ' 40' ' ' VAL . 77.6 t80 -64.06 -46.7 83.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.946 0.898 . . . . 75.23 111.708 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 58' ' ' VAL . 52.8 mt -67.93 -39.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 120.859 0.361 . . . . 73.22 110.266 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.85 -32.43 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.186 0.994 . . . . 61.23 111.589 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.65 -38.03 89.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.136 0.974 . . . . 61.54 111.226 176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.48 -39.61 22.24 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.848 -0.615 . . . . 51.22 111.923 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -87.57 -67.34 0.83 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.48 0.712 . . . . 74.2 112.05 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.98 107.58 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.806 0.843 . . . . 54.51 111.53 -171.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 CA--C 1.569 1.678 0 C-N-CA 123.506 0.723 . . . . 71.43 112.459 178.038 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.021 0.438 . . . . 75.53 112.146 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.23 -30.98 72.02 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.88 0.472 . . . . 61.41 111.085 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.599 ' HG2' HG22 ' B' ' 52' ' ' VAL . 40.8 mtp -64.3 -35.66 81.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.785 -0.643 . . . . 73.21 111.288 177.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -64.01 -33.12 75.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.338 0.655 . . . . 52.11 111.508 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -63.19 -37.97 89.33 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.883 0.473 . . . . 70.42 111.137 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -71.75 -43.93 64.96 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.659 0.784 . . . . 65.25 111.879 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -64.09 -33.12 75.05 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.832 0.853 . . . . 73.21 111.693 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -55.44 -47.53 75.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.724 0.809 . . . . 74.41 111.093 172.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -31.64 61.56 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.34 -0.845 . . . . 75.44 111.345 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.3 mt -62.92 -27.1 69.15 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.294 0.497 . . . . 62.43 111.504 174.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -68.66 -30.84 69.62 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.798 0.332 . . . . 71.11 111.555 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.78 -31.94 25.65 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.842 0.857 . . . . 52.35 111.034 -175.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' B' ' 62' ' ' ILE . 57.7 mt -75.01 -19.45 60.06 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.083 0.953 . . . . 74.3 112.237 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.603 HG11 ' HG2' ' A' ' 57' ' ' ARG . 13.2 t -111.79 97.3 37.0 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 123.37 0.668 . . . . 54.41 109.925 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.38 -18.48 20.37 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.581 2.188 . . . . 54.03 113.143 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.82 4.77 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.051 0.358 . . . . 34.04 113.312 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.76 116.88 67.22 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.806 0.842 . . . . 65.43 109.561 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.89 125.66 19.72 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 122.957 2.438 . . . . 73.0 113.715 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -65.29 103.98 0.87 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.223 0.609 . . . . 54.52 110.519 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.24 33.59 1.11 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.101 -0.5 . . . . 41.03 113.061 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -117.64 166.8 11.96 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.487 0.715 . . . . 62.15 111.285 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -116.11 -49.3 2.7 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.252 0.621 . . . . 71.4 111.168 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' NH1' ' A' ' 57' ' ' ARG . 42.9 mt 66.73 135.35 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 125.158 1.383 . . . . 71.54 112.621 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 m -131.52 -74.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.881 -0.512 . . . . 74.54 111.706 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -126.96 -78.71 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.306 0.484 . . . . 64.52 112.306 -169.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.655 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.0 t -71.93 -33.43 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-O 121.673 0.749 . . . . 73.44 111.163 -171.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 3.6 mp0 -57.2 -32.27 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.482 1.513 . . . . 72.2 111.577 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.49 HG23 HH22 ' A' ' 57' ' ' ARG . 66.9 mt -67.48 -48.34 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.547 0.739 . . . . 72.51 111.214 176.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.33 -47.79 82.6 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.358 0.663 . . . . 71.33 111.46 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.51 -39.78 92.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.976 0.91 . . . . 73.34 111.672 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' HG2' HG11 ' A' ' 40' ' ' VAL . 32.2 ttp-105 -65.75 -31.76 72.93 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.588 0.755 . . . . 73.22 111.724 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' ILE . 84.7 t -69.2 -40.47 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.275 0.63 . . . . 71.24 110.905 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.69 -39.2 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 122.856 0.462 . . . . 75.25 110.502 173.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.22 -42.56 95.45 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.236 0.615 . . . . 75.44 111.715 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.507 ' HB2' HG13 ' A' ' 40' ' ' VAL . 79.0 t80 -58.96 -53.97 52.37 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.051 0.541 . . . . 72.52 111.759 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.29 -45.62 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.125 0.57 . . . . 72.44 111.709 -174.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.78 -29.62 68.04 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.379 0.511 . . . . 72.33 112.379 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.86 -38.04 89.26 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.001 0.52 . . . . 63.15 111.075 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -70.57 -40.52 73.28 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.045 -0.525 . . . . 71.34 111.519 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 113.276 0.843 . . . . 72.31 113.276 -175.237 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 108.794 -0.817 . . . . 71.43 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.0 -34.8 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.106 0.962 . . . . 53.03 112.499 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.655 ' HG2' HG22 ' A' ' 52' ' ' VAL . 31.2 mtp -66.31 -45.31 80.78 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.056 0.543 . . . . 74.13 111.42 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.59 -34.07 77.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.569 0.748 . . . . 65.15 111.446 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -65.21 -36.31 83.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.587 0.755 . . . . 52.43 111.496 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.19 -42.34 72.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.761 0.424 . . . . 51.4 110.842 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.84 -30.36 70.06 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.203 1.001 . . . . 75.44 111.937 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 53.2 m -58.72 -48.98 79.3 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.243 0.617 . . . . 62.1 110.664 175.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -75.2 -27.65 59.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.115 0.566 . . . . 73.42 112.508 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' B' ' 58' ' ' VAL . 82.0 mt -69.14 -22.28 63.96 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.935 0.398 . . . . 75.21 110.769 168.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -88.37 -17.43 30.58 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.499 0.72 . . . . 75.11 111.451 173.268 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 34' ' ' SER . 15.5 mm-40 -88.82 -38.85 14.31 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.748 0.419 . . . . 63.03 111.791 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.37 -6.35 58.5 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.118 0.784 . . . . 64.44 113.118 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.98 102.41 50.55 Favored Pre-proline 0 N--CA 1.489 1.513 0 C-N-CA 122.872 0.469 . . . . 52.24 110.952 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.94 -3.84 12.46 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.822 2.348 . . . . 65.23 113.462 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.82 52.56 4.73 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.139 0.4 . . . . 71.03 113.602 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' B' ' 37' ' ' ARG . 60.3 t -104.26 136.46 19.18 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.876 1.27 . . . . 71.53 109.75 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.87 166.46 22.51 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.581 2.187 . . . . 75.33 113.441 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -71.95 94.8 1.5 Allowed 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 121.291 0.567 . . . . 75.34 109.756 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.34 -170.96 17.0 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 115.526 -0.761 . . . . 71.04 112.392 -167.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.8 m 65.96 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.808 1.243 . . . . 72.04 112.443 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.08 -13.79 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.959 0.904 . . . . 73.55 112.242 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 92.9 mt 74.1 108.57 0.07 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.908 1.683 . . . . 72.12 112.063 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.5 t -70.85 161.09 31.6 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.838 0.855 . . . . 62.42 111.219 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.41 -48.83 62.52 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 113.955 1.094 . . . . 73.32 113.955 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.9 t -74.69 -35.61 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 122.935 0.494 . . . . 65.32 111.212 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.26 84.59 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.464 0.706 . . . . 53.23 110.55 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.8 mt -58.16 -49.75 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.102 0.561 . . . . 61.41 110.517 173.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.432 ' O ' HG13 ' B' ' 59' ' ' ILE . 96.0 mt -53.73 -50.55 65.71 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.282 0.633 . . . . 75.4 111.923 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -66.65 -34.9 78.89 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.165 0.986 . . . . 64.53 112.123 -177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -74.81 -33.48 62.21 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.585 0.754 . . . . 75.44 111.717 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 54' ' ' ILE . 72.8 t -67.3 -39.39 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.88 0.472 . . . . 73.44 110.594 172.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 55' ' ' LEU . 91.5 mt -57.57 -52.74 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.642 0.377 . . . . 74.1 110.285 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.46 -42.85 74.86 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.1 0.96 . . . . 73.4 112.42 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.89 -47.69 83.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.51 0.724 . . . . 72.5 112.051 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 39' ' ' LEU . 65.1 mt -72.87 -26.67 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.354 0 CA-C-N 116.266 -0.425 . . . . 74.22 111.621 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 78.9 mt -60.94 -35.14 75.95 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.981 0.512 . . . . 62.31 111.456 172.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.72 -32.29 73.77 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.17 0.588 . . . . 74.52 111.361 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.46 -30.14 42.02 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.602 0.761 . . . . 75.01 111.905 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -107.78 -161.6 0.79 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.049 0.94 . . . . 71.13 111.228 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.1 120.48 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.288 0.635 . . . . 74.51 112.362 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.488 -0.768 . . . . 73.1 109.645 168.128 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 CA--C 1.551 0.988 0 N-CA-C 113.11 0.781 . . . . 62.24 113.11 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.64 -28.05 69.65 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.929 -0.578 . . . . 74.32 110.491 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.544 ' HB3' HG22 ' B' ' 52' ' ' VAL . 3.3 ptp -64.73 -30.23 71.23 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 111.959 0.355 . . . . 73.21 111.959 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -64.18 -47.53 79.47 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.23 0.612 . . . . 74.34 109.838 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -63.68 -41.44 98.16 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.455 0.702 . . . . 75.3 111.265 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 88.6 m -64.23 -36.49 84.25 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.111 0.965 . . . . 52.23 112.318 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.15 -42.95 93.29 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.032 0.933 . . . . 74.42 111.672 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 57.3 m -64.88 -41.37 95.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.489 -0.778 . . . . 64.53 111.048 173.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.26 -29.21 67.96 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.382 1.073 . . . . 73.14 111.479 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 55' ' ' LEU . 83.0 mt -60.82 -55.47 32.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.715 -0.846 . . . . 60.25 108.715 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 78.7 mtm180 -53.51 -27.3 24.8 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.916 0.886 . . . . 64.32 113.279 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 34' ' ' SER . 14.0 mm-40 -76.31 -36.29 58.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.102 0.477 . . . . 74.15 110.975 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' HB3' HG21 ' B' ' 62' ' ' ILE . 98.0 mt -92.0 -23.25 19.6 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.775 0.83 . . . . 72.43 113.14 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 61' ' ' TYR . 90.8 t -93.81 109.17 39.85 Favored Pre-proline 0 N--CA 1.488 1.463 0 C-N-CA 123.786 0.834 . . . . 71.42 111.98 -173.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.62 -12.93 29.64 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.117 2.545 . . . . 72.32 112.832 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.05 67.23 Favored Glycine 0 C--N 1.361 1.955 0 C-N-CA 122.996 0.332 . . . . 73.4 112.817 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 40' ' ' VAL . 93.5 t -76.08 110.17 10.33 Favored Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.642 0.777 . . . . 74.31 109.092 165.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -178.12 1.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.742 2.295 . . . . 70.14 113.317 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -55.69 102.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.081 0.952 . . . . 72.32 112.269 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.69 -92.05 0.6 Allowed Glycine 0 C--N 1.35 1.361 0 CA-C-N 115.756 -0.656 . . . . 64.42 112.203 -174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 m 71.22 148.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.251 1.42 . . . . 75.1 113.075 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -95.89 97.36 9.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.683 0.793 . . . . 75.23 109.714 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 53' ' ' GLU . 88.7 mt -117.47 124.23 48.27 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.256 0.622 . . . . 75.13 111.155 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -77.98 177.85 7.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.471 0.709 . . . . 71.34 110.784 170.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -58.32 -38.74 77.72 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.497 0.719 . . . . 75.34 112.515 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.4 t -68.0 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-O 121.094 0.473 . . . . 65.44 110.462 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 49' ' ' LEU . 31.4 mm-40 -58.37 -36.01 72.84 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.5 1.12 . . . . 43.32 112.955 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.56 -46.88 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.315 0.246 . . . . 74.21 110.54 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -55.49 -45.38 77.01 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.481 0.712 . . . . 71.15 111.877 176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.74 -36.89 70.6 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.545 0.738 . . . . 73.45 111.985 -176.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.45 68.81 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.189 0.596 . . . . 72.23 111.639 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG22 HG21 ' A' ' 40' ' ' VAL . 79.0 t -67.14 -44.14 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 122.586 0.355 . . . . 61.31 110.499 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 76.1 mt -58.92 -41.54 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.761 0.424 . . . . 74.42 110.736 176.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.0 m-20 -59.54 -44.88 93.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.475 0.71 . . . . 51.05 111.562 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.526 ' HB2' HG13 ' A' ' 40' ' ' VAL . 49.8 t80 -56.85 -44.71 82.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.487 0.715 . . . . 62.02 111.786 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' B' ' 39' ' ' LEU . 39.9 mt -70.07 -28.6 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-N 116.42 -0.354 . . . . 54.32 110.546 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 97.5 mt -62.99 -37.48 87.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.871 0.469 . . . . 53.02 111.241 172.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.76 -39.3 88.22 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.076 0.55 . . . . 70.3 111.91 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 62' ' ' ILE . 55.3 mt -70.42 -45.95 64.89 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.957 0.903 . . . . 74.35 112.059 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 . . . . . 0 N--CA 1.479 0.998 0 CA-C-N 115.338 -0.846 . . . . 72.31 111.641 -176.475 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 . . . . . 0 CA--C 1.547 0.861 0 CA-C-O 121.574 0.702 . . . . 62.41 112.261 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.48 -30.77 69.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.01 0.924 . . . . 61.23 111.389 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.671 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.6 mtp -62.8 -46.07 89.69 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.877 0.471 . . . . 64.12 111.06 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.65 -39.81 94.33 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.401 1.081 . . . . 71.11 111.659 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -69.46 -38.14 77.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.889 0.476 . . . . 73.23 110.553 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.423 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 99.1 m -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.158 0.583 . . . . 72.33 111.607 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -63.74 -36.39 83.7 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.095 0.958 . . . . 74.34 111.489 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -60.79 -51.3 69.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.4 0.68 . . . . 43.32 110.372 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -65.88 -28.03 68.65 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 113.42 0.896 . . . . 71.52 113.42 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.439 ' O ' HG23 ' B' ' 40' ' ' VAL . 84.0 mt -60.27 -54.47 45.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 109.092 -0.707 . . . . 60.11 109.092 169.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -63.13 -20.91 65.82 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.631 0.974 . . . . 75.15 113.631 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.28 -37.69 19.73 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.506 0.322 . . . . 71.43 111.029 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 62' ' ' ILE . 70.4 mt -91.31 -11.16 38.81 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.368 0.667 . . . . 65.1 112.573 -175.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 36' ' ' LEU . 58.2 t -99.91 105.72 36.58 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.337 0.655 . . . . 63.35 110.731 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.52 -2.5 12.29 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.497 2.132 . . . . 54.54 113.166 173.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.66 -12.65 80.6 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.884 -0.398 . . . . 75.41 114.063 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.15 119.48 49.43 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.553 0.741 . . . . 73.33 111.189 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.54 142.98 55.44 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.817 2.344 . . . . 71.13 112.444 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' B' ' 45' ' ' ARG . 3.2 mpt_? -75.88 132.41 40.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 72.22 110.543 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.99 -14.01 40.7 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-O 119.771 -0.461 . . . . 73.33 114.225 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -83.58 114.72 21.73 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.58 0.69 . . . . 73.04 110.974 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -76.16 120.71 21.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.018 0.527 . . . . 64.53 110.309 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.82 130.69 53.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.461 0.704 . . . . 60.41 111.542 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.9 t -79.43 172.66 13.48 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.092 0.557 . . . . 74.33 110.959 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -46.92 -48.34 21.4 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.57 1.148 . . . . 61.31 113.456 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 29' ' ' MET . 11.8 t -72.62 -40.3 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 114.959 -1.019 . . . . 71.1 111.212 -177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.35 -33.73 71.51 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.134 0.974 . . . . 71.4 111.912 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 58' ' ' VAL . 90.6 mt -58.71 -56.36 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.59 0.756 . . . . 71.5 110.466 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.506 HD22 HD11 ' A' ' 36' ' ' LEU . 88.8 mt -60.55 -38.26 83.92 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.842 0.857 . . . . 71.14 112.605 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.5 -51.42 69.52 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.969 0.908 . . . . 73.12 111.492 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -75.44 -19.13 59.66 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.773 0.657 . . . . 63.42 112.773 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.454 ' O ' HG13 ' B' ' 62' ' ' ILE . 78.0 t -68.21 -43.82 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 109.683 -0.488 . . . . 74.31 109.683 167.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.36 -49.87 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.029 0.532 . . . . 73.51 110.567 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.16 -37.28 79.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.812 0.845 . . . . 73.32 112.662 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 79.7 t80 -58.92 -48.03 82.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.471 1.108 . . . . 71.41 111.138 175.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 39' ' ' LEU . 60.5 mt -69.98 -38.58 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.729 0.812 . . . . 43.53 111.247 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.12 -34.11 74.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.923 0.889 . . . . 64.03 112.696 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.86 -36.12 82.88 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.973 0.909 . . . . 75.22 111.222 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.2 mt -73.63 -41.83 62.26 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.632 0.773 . . . . 74.14 111.692 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -93.74 -175.65 3.81 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.348 -0.842 . . . . 65.52 112.839 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.24 132.61 32.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 123.79 0.836 . . . . 72.0 112.355 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.493 1.701 0 C-N-CA 124.614 1.166 . . . . 73.4 110.6 175.002 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.554 1.11 0 N-CA-C 110.627 -0.138 . . . . 74.13 110.627 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.03 -43.25 60.86 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 123.903 0.881 . . . . 75.45 112.099 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.2 ttm -65.38 -42.96 92.16 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.569 -1.196 . . . . 65.2 112.62 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.71 -38.92 77.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.847 0.459 . . . . 74.41 111.582 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -57.94 -44.42 86.95 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.455 0.702 . . . . 63.3 110.8 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' B' ' 55' ' ' LEU . 99.0 m -63.74 -45.85 88.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.35 -0.841 . . . . 72.43 112.053 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -65.93 -36.16 82.59 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.646 0.778 . . . . 54.34 112.519 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.6 m -65.79 -43.79 87.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.696 0.398 . . . . 62.12 110.308 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -31.46 69.65 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.734 -0.667 . . . . 73.43 111.316 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.8 mt -58.41 -54.84 42.44 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.44 -0.578 . . . . 62.23 109.44 171.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.2 -25.9 59.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.291 1.036 . . . . 75.04 112.624 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.57 -44.32 35.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.721 0.409 . . . . 55.25 111.036 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HB3' HG21 ' B' ' 62' ' ' ILE . 91.0 mt -76.11 -17.49 59.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.173 0.589 . . . . 64.25 111.974 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.9 t -100.56 101.49 15.45 Favored Pre-proline 0 N--CA 1.486 1.339 0 C-N-CA 123.608 0.763 . . . . 62.21 111.406 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 13.0 Cg_exo -71.59 -10.09 26.12 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.149 2.566 . . . . 55.44 112.559 170.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.23 -13.48 53.97 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 123.437 0.542 . . . . 25.24 114.272 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG22 ' HG2' ' A' ' 57' ' ' ARG . 24.4 t -81.65 114.39 49.63 Favored Pre-proline 0 CA--C 1.562 1.408 0 C-N-CA 123.304 0.642 . . . . 73.1 110.029 170.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.38 -178.81 1.6 Allowed 'Trans proline' 0 CA--C 1.563 1.947 0 C-N-CA 122.473 2.115 . . . . 72.04 113.501 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -68.52 110.53 4.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.541 0.737 . . . . 73.32 112.053 -173.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.64 22.48 75.25 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 115.056 0.783 . . . . 42.32 115.056 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.2 m -73.63 111.0 8.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.152 0.581 . . . . 61.22 111.582 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -81.78 110.5 17.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.771 0.828 . . . . 73.43 111.26 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.03 146.15 42.4 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.869 0.867 . . . . 75.23 110.63 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.6 p -71.65 164.64 25.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.888 -0.412 . . . . 74.43 109.888 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.89 -31.18 62.61 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.114 0.566 . . . . 74.04 111.911 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.9 t -69.55 -47.72 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.271 0.629 . . . . 53.42 110.298 176.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.1 -26.49 65.84 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.302 -0.863 . . . . 75.31 112.535 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -65.3 -48.35 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.339 -0.615 . . . . 75.24 109.339 172.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.53 -45.07 69.65 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.339 0.656 . . . . 65.42 111.681 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -65.29 -36.93 85.6 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.184 0.994 . . . . 74.5 112.158 177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.582 ' HG2' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -70.57 -34.47 72.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.804 0.442 . . . . 73.34 110.631 178.762 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ILE . 86.6 t -69.13 -39.86 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.57 -0.741 . . . . 71.34 110.432 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.75 -49.75 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.276 0.63 . . . . 73.41 110.339 173.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.0 -39.99 83.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.961 0.904 . . . . 75.34 111.547 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 40' ' ' VAL . 63.9 t80 -65.23 -46.25 81.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.636 0.775 . . . . 72.42 112.52 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 48.1 mt -68.61 -33.23 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.568 -0.53 . . . . 72.05 109.568 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.86 -35.9 75.75 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.207 0.603 . . . . 74.44 111.775 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 61' ' ' TYR . 24.0 t70 -61.17 -32.39 72.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.322 0.649 . . . . 63.42 111.51 172.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.79 -30.52 22.96 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.632 0.773 . . . . 73.44 112.514 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 12.6 mm-40 . . . . . 0 N--CA 1.487 1.422 0 C-N-CA 123.376 0.67 . . . . 72.12 111.528 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.555 1.171 0 CA-C-O 121.282 0.563 . . . . 64.2 112.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.54 -28.89 67.38 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.787 0.835 . . . . 72.04 111.325 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.3 mtp -65.42 -46.89 78.19 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.612 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.2 -29.16 69.94 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.519 0.728 . . . . 75.42 111.181 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -62.54 -47.25 84.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.726 0.81 . . . . 74.43 110.628 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.94 -40.49 87.58 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.386 -0.825 . . . . 31.14 111.419 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -62.61 -36.58 83.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.04 0.936 . . . . 74.2 111.983 176.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 32.4 t -65.19 -40.81 94.74 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.199 0.6 . . . . 73.13 110.938 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -71.75 -30.97 66.17 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.73 0.412 . . . . 61.41 111.847 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' HG23 ' B' ' 40' ' ' VAL . 83.7 mt -60.66 -47.36 86.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.649 0.379 . . . . 73.32 110.397 171.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -53.33 -27.41 23.17 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.932 0.893 . . . . 73.23 113.154 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 34' ' ' SER . 21.8 mm-40 -84.68 -36.37 21.95 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.883 0.873 . . . . 75.11 110.459 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.4 ' HB3' HG21 ' A' ' 62' ' ' ILE . 81.9 mt -85.02 -6.95 59.32 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 45.52 113.232 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 47.1 t -112.44 95.14 30.29 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.024 0.529 . . . . 71.53 111.062 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.83 -8.1 18.65 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.848 2.365 . . . . 72.52 113.716 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 7.11 31.8 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.58 0.592 . . . . 55.13 114.58 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.89 116.9 64.45 Favored Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 123.368 0.667 . . . . 65.4 110.19 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.75 172.53 6.84 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.412 2.741 . . . . 71.31 113.946 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -71.71 84.71 0.9 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.299 0.64 . . . . 71.35 110.206 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.9 122.59 0.65 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 116.003 -0.544 . . . . 63.14 112.262 -172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -160.5 175.19 13.02 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.474 0.71 . . . . 72.54 110.913 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -111.96 89.96 3.21 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 122.048 0.927 . . . . 74.44 110.903 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -105.42 100.55 10.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.752 0.821 . . . . 71.4 110.34 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -82.71 -80.94 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.562 0.345 . . . . 63.11 110.796 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -143.87 -56.07 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.236 0.614 . . . . 71.01 110.393 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.25 -36.99 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 123.085 0.554 . . . . 71.35 110.361 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.12 -40.76 77.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.739 0.816 . . . . 74.04 111.491 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 58' ' ' VAL . 69.1 mt -65.19 -48.79 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.314 -0.857 . . . . 52.32 110.45 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 32' ' ' CYS . 90.1 mt -57.0 -49.58 75.33 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.352 0.661 . . . . 73.32 112.086 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.97 -38.45 91.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.397 1.079 . . . . 74.43 111.768 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -71.56 -33.62 69.26 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.28 0.632 . . . . 74.02 111.638 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 68.3 t -67.16 -46.36 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.978 0.511 . . . . 62.0 110.456 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.28 -49.11 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.024 0.53 . . . . 73.44 110.642 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.38 -37.68 81.54 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.371 0.669 . . . . 63.3 111.56 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.96 -51.61 68.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.774 0.83 . . . . 71.24 111.122 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.9 mt -65.27 -46.09 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 115.1 -0.954 . . . . 74.45 111.323 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.27 -33.06 72.92 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.709 0.803 . . . . 62.32 111.865 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.12 -31.03 67.25 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.518 0.727 . . . . 72.02 111.155 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.0 mt -77.36 -43.7 31.96 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.008 0.523 . . . . 75.44 111.632 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.36 -38.64 81.63 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.656 0.782 . . . . 54.35 111.799 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.9 t 60.36 96.61 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.52 0 C-N-CA 124.955 1.302 . . . . 74.45 112.132 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 CA--C 1.578 2.023 0 C-N-CA 124.985 1.314 . . . . 75.02 112.181 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.636 -0.505 . . . . 63.35 109.636 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.86 119.32 2.71 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.566 -0.614 . . . . 63.12 111.566 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -140.87 159.0 43.15 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.149 0.579 . . . . 75.35 111.955 -174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -111.79 170.7 7.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.61 0.764 . . . . 73.33 110.014 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -126.82 89.7 3.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.958 0.503 . . . . 73.15 109.857 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.84 98.25 7.74 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 109.784 -0.45 . . . . 73.3 109.784 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -159.07 137.57 10.8 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.857 0.863 . . . . 72.54 110.442 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -141.05 147.38 38.52 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.053 0.941 . . . . 75.04 109.616 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.433 ' HB2' ' HA2' ' B' ' 42' ' ' GLY . 57.9 m -139.36 132.09 29.04 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.545 0.738 . . . . 74.54 110.075 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -140.4 92.74 2.55 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.882 0.873 . . . . 70.42 109.636 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.2 ttm -128.14 -46.99 1.35 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.209 0.604 . . . . 65.04 110.341 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' B' ' 41' ' ' PRO . . . 125.54 158.8 10.09 Favored Glycine 0 N--CA 1.479 1.529 0 CA-C-N 116.661 -0.245 . . . . 74.51 113.676 173.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.48 -88.76 1.22 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 122.828 0.252 . . . . 33.44 113.356 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.07 13.56 80.99 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 113.998 0.359 . . . . 55.25 113.998 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -77.85 140.38 39.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.986 0.914 . . . . 74.03 110.823 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.45 155.71 12.68 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.796 -0.447 . . . . 52.24 113.245 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.38 -26.5 20.42 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.967 2.445 . . . . 71.33 112.525 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.75 -173.66 0.17 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.948 1.299 . . . . 71.14 113.364 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.47 141.31 50.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.62 0.768 . . . . 64.53 110.849 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.92 147.55 43.04 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.318 0.647 . . . . 72.3 112.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' ' HB3' ' B' ' 50' ' ' SER . 41.3 mt-10 -126.28 164.72 32.17 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 124.077 0.951 . . . . 74.1 109.71 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 103.69 0.1 Allowed 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.137 1.891 . . . . 63.31 111.165 166.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.26 109.19 1.8 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.565 0.58 . . . . 75.55 112.565 -170.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.3 t 71.46 123.65 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.544 1.537 . . . . 75.32 113.396 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -102.08 -56.12 2.34 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.981 0.912 . . . . 75.52 110.345 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -112.5 31.01 6.63 Favored 'General case' 0 CA--C 1.564 1.516 0 C-N-CA 124.011 0.924 . . . . 75.53 109.466 -175.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.42 40.23 31.62 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.694 0.797 . . . . 73.32 110.825 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.45 -35.07 73.36 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 114.469 -1.241 . . . . 63.45 111.281 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.45 ' HB2' HG22 ' B' ' 52' ' ' VAL . 22.4 ttm -53.91 -44.56 70.66 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.899 1.28 . . . . 73.43 112.413 173.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -65.49 -40.48 93.11 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 122.997 0.519 . . . . 73.01 111.411 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -61.27 -43.61 98.59 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.127 0.489 . . . . 74.32 111.192 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.44 -47.64 78.3 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.426 -0.806 . . . . 62.15 112.275 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.36 -32.28 73.05 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.232 0.827 . . . . 74.53 113.232 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -63.11 -52.68 61.62 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.824 0.449 . . . . 75.02 110.634 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -65.8 -32.27 73.7 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.051 0.941 . . . . 62.32 112.727 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.9 mt -60.81 -55.01 38.23 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.937 0.495 . . . . 73.04 111.032 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.29 -18.68 51.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.665 0.987 . . . . 73.51 113.665 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.32 -34.56 21.83 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.038 0.535 . . . . 74.52 110.887 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.5 mt -78.46 -29.53 46.94 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.326 0.65 . . . . 72.13 111.509 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' LEU . 57.3 t -86.58 109.93 27.86 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 123.858 0.863 . . . . 72.42 110.228 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.64 -10.71 25.47 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.932 2.421 . . . . 72.53 113.92 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.65 29.08 3.36 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 115.424 0.929 . . . . 52.31 115.424 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.29 124.26 56.21 Favored Pre-proline 0 N--CA 1.484 1.229 0 CA-C-N 117.436 0.618 . . . . 63.32 109.91 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -71.28 139.78 35.79 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.771 2.314 . . . . 52.4 112.752 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.619 ' H ' ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -65.07 114.48 4.64 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.117 0.567 . . . . 74.01 111.535 177.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.76 16.87 14.33 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 116.217 -0.447 . . . . 70.11 113.87 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -114.84 140.09 49.23 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 117.603 0.701 . . . . 73.43 111.53 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.33 -43.8 11.87 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.83 -0.804 . . . . 75.13 108.83 173.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HH11 ' A' ' 57' ' ' ARG . 76.2 mt 69.99 141.38 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 125.634 1.574 . . . . 64.14 112.095 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 p -80.38 162.54 24.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.746 0.418 . . . . 74.41 111.272 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.55 -38.19 68.99 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.196 0.998 . . . . 73.11 112.843 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' B' ' 29' ' ' MET . 6.6 t -74.99 -41.1 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 122.985 0.514 . . . . 65.13 111.698 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.08 -41.34 68.11 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.265 0.626 . . . . 65.43 112.18 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 63.4 mt -56.4 -51.09 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 O-C-N 123.932 0.77 . . . . 74.03 110.775 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.39 -50.65 64.7 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.058 0.943 . . . . 74.24 112.7 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.12 -44.07 97.45 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.937 -1.029 . . . . 73.04 110.725 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.463 HH11 HD13 ' A' ' 49' ' ' LEU . 28.6 ttm180 -75.6 -24.07 56.52 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.618 1.167 . . . . 73.3 112.092 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' ILE . 53.6 t -70.66 -39.11 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.301 0.641 . . . . 51.21 109.757 171.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' HE ' ' B' ' 35' ' ' ARG . 77.5 mt -62.31 -45.68 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.797 0.439 . . . . 73.04 110.962 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -55.7 -43.75 76.74 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.188 0.595 . . . . 64.44 111.451 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -56.94 -46.65 81.92 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.123 0.969 . . . . 75.12 112.092 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' VAL . 62.5 mt -71.65 -27.26 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 122.752 0.421 . . . . 74.1 111.706 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 95.0 mt -59.36 -43.7 92.81 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.027 0.531 . . . . 73.42 111.701 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.82 -33.81 76.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 62.14 112.334 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.03 -35.08 66.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.241 0.616 . . . . 74.44 111.566 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.28 -84.96 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.615 0.766 . . . . 73.03 111.507 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -137.44 120.9 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 C-N-CA 123.889 0.876 . . . . 65.34 110.004 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.568 1.652 0 C-N-CA 123.226 0.61 . . . . 75.34 112.219 176.779 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.216 0.531 . . . . 73.43 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.04 43.24 0.02 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.415 -0.811 . . . . 43.42 111.908 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 m80 60.4 85.4 0.11 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.097 1.359 . . . . 60.35 112.012 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -67.36 136.16 54.35 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.965 0.906 . . . . 74.51 111.526 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -83.94 73.04 10.39 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.564 0.697 . . . . 74.44 110.594 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -126.83 165.62 18.99 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.026 0.93 . . . . 73.21 110.948 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -83.12 103.07 12.27 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.6 -0.727 . . . . 71.22 110.982 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -117.12 174.87 5.87 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.046 0.938 . . . . 65.21 111.157 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -134.2 42.24 2.9 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.836 0.855 . . . . 74.34 110.525 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -130.58 138.07 49.97 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.741 -0.663 . . . . 74.03 111.841 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' B' ' 12' ' ' GLY . 17.9 tmm? -83.67 176.06 9.26 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 123.907 0.883 . . . . 60.3 109.12 168.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SD ' ' B' ' 11' ' ' MET . . . -50.59 -32.21 23.71 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 115.379 0.912 . . . . 61.41 115.379 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.71 -61.08 0.44 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.982 0.391 . . . . 71.41 112.786 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.42 -107.33 0.32 Allowed Glycine 0 N--CA 1.473 1.154 0 N-CA-C 111.746 -0.541 . . . . 61.14 111.746 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -90.43 164.31 14.33 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.256 0.622 . . . . 73.02 111.234 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.66 -167.7 24.53 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.947 -0.569 . . . . 61.22 112.923 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.04 100.44 0.53 Allowed 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.675 2.25 . . . . 74.42 112.057 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.3 94.34 0.11 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.571 0.748 . . . . 41.03 112.174 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.06 103.3 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.606 0.762 . . . . 61.13 110.246 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -168.36 171.75 8.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.032 0.933 . . . . 74.45 110.701 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.18 147.37 25.92 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.476 0.71 . . . . 64.34 110.848 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -65.17 96.29 0.27 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.414 2.076 . . . . 70.53 112.519 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -66.93 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.786 0.435 . . . . 71.31 111.408 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m 73.27 -51.62 0.7 Allowed 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.658 1.583 . . . . 60.41 113.242 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp 68.63 -74.73 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.579 1.552 . . . . 74.14 112.223 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.46 -75.65 0.62 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 108.274 -1.01 . . . . 63.31 108.274 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -161.11 17.33 0.11 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.221 1.008 . . . . 41.34 109.339 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.94 -31.12 68.41 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.199 1.0 . . . . 63.21 113.001 -164.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.537 ' HG2' HG22 ' A' ' 52' ' ' VAL . 32.6 mtp -60.42 -46.77 88.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.875 0.47 . . . . 74.34 111.439 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.484 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 31.2 m-80 -72.68 -26.51 61.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.1 0.96 . . . . 62.13 112.047 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.26 -40.46 97.48 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.862 0.465 . . . . 74.03 110.964 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.28 -41.5 80.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.012 0.525 . . . . 61.22 111.447 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 17.8 m-85 -64.27 -36.47 84.21 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.02 0.928 . . . . 73.14 112.653 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 44.4 t -65.81 -45.68 81.44 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.809 0.444 . . . . 65.35 110.187 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.742 ' HE ' HG21 ' A' ' 59' ' ' ILE . 25.0 ttp180 -65.51 -26.04 67.73 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.867 0.867 . . . . 75.44 112.104 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' B' ' 40' ' ' VAL . 90.6 mt -66.77 -51.55 54.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.988 0.515 . . . . 75.55 110.609 167.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.565 HH21 HD11 ' B' ' 54' ' ' ILE . 99.6 mtt180 -56.15 -32.48 64.31 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.054 0.941 . . . . 62.23 112.908 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.5 mm-40 -59.67 -37.11 77.87 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.686 0.794 . . . . 74.32 110.983 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.41 -3.12 47.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.88 0.872 . . . . 60.45 112.661 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 36' ' ' LEU . 45.6 t -101.06 106.16 43.02 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.867 0.467 . . . . 74.02 110.894 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.405 ' HB3' ' HA2' ' A' ' 12' ' ' GLY . 2.2 Cg_endo -83.57 13.35 2.71 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.449 2.766 . . . . 62.42 113.111 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.433 ' HA2' ' HB2' ' A' ' 9' ' ' SER . . . -95.49 -15.09 45.01 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.382 0.515 . . . . 61.13 114.247 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.9 131.6 56.65 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.362 0.665 . . . . 72.14 111.014 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.14 -69.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 123.083 2.522 . . . . 75.21 113.834 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -179.13 -76.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.906 0.882 . . . . 54.14 109.621 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.01 66.0 0.4 Allowed Glycine 0 C--N 1.353 1.484 0 N-CA-C 111.514 -0.634 . . . . 52.52 111.514 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -102.59 172.05 7.08 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.647 0.779 . . . . 71.25 111.074 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -74.09 92.82 2.2 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.252 0.621 . . . . 74.1 110.905 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -114.25 102.97 10.63 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.366 0.667 . . . . 64.41 110.813 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.654 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 83.3 p -71.12 164.62 25.25 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.912 -0.403 . . . . 73.14 109.912 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.58 -29.66 59.44 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.021 0.528 . . . . 62.13 111.64 172.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 29' ' ' MET . 43.7 t -72.44 -51.82 27.01 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 124.001 0.92 . . . . 63.34 112.331 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.52 -26.85 66.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.269 0.47 . . . . 72.42 112.269 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.565 HD11 HH21 ' B' ' 37' ' ' ARG . 87.5 mt -58.45 -50.3 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 122.483 0.313 . . . . 73.43 110.495 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.99 -48.53 70.3 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.741 0.816 . . . . 75.43 111.722 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.75 -45.09 95.43 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.247 1.019 . . . . 73.32 111.556 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -75.02 -25.09 58.5 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.482 0.713 . . . . 71.13 112.363 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.24 -38.1 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.719 -0.474 . . . . 71.33 109.719 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 73.8 mt -62.47 -47.46 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 N-CA-C 110.209 -0.293 . . . . 63.3 110.209 172.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.54 -39.26 73.09 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.76 0.824 . . . . 73.3 111.748 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.3 -46.73 89.07 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.026 -0.988 . . . . 73.42 111.507 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.76 -27.74 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.551 0 CA-C-N 115.663 -0.698 . . . . 61.24 111.127 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 95.4 mt -67.87 -29.34 68.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.389 0.676 . . . . 73.3 111.333 176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.54 -36.85 76.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.276 0.63 . . . . 74.45 110.64 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -79.15 -33.99 43.65 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.65 0.78 . . . . 73.01 112.572 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -87.6 -33.88 18.71 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.891 0.877 . . . . 75.45 111.665 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t 57.55 81.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.109 1.364 . . . . 70.32 111.103 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 124.111 0.965 . . . . 63.15 110.695 -176.273 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.475 0.179 . . . . 73.12 110.607 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.31 95.86 1.72 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.111 -0.495 . . . . 72.31 113.847 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -80.94 76.36 7.89 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.049 0.54 . . . . 74.42 109.839 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -70.61 128.36 35.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.475 0.71 . . . . 73.12 110.108 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -140.59 115.58 9.75 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.312 0.577 . . . . 74.52 110.941 -173.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -150.89 139.52 20.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.851 0.86 . . . . 72.31 110.013 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -139.54 96.25 3.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.531 -0.544 . . . . 75.25 109.531 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -150.89 155.49 39.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.029 0.932 . . . . 74.53 110.485 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 t -164.38 157.21 17.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.542 0.737 . . . . 74.34 110.917 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -122.18 133.26 54.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.853 0.861 . . . . 74.33 109.656 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.2 mtm -77.34 -13.84 59.85 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.71 0.804 . . . . 74.12 112.52 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.28 20.36 64.76 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 115.187 0.835 . . . . 33.33 115.187 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.35 98.32 0.44 Allowed Glycine 0 N--CA 1.48 1.627 0 CA-C-N 117.117 0.459 . . . . 72.31 112.389 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.2 -81.25 1.29 Allowed Glycine 0 N--CA 1.474 1.174 0 N-CA-C 110.532 -1.027 . . . . 40.51 110.532 -169.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt 58.1 102.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 125.096 1.358 . . . . 72.33 113.576 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.16 -73.12 0.36 Allowed Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.298 -0.723 . . . . 74.24 111.396 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -63.4 132.29 35.32 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.789 2.326 . . . . 70.13 112.242 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.58 112.09 0.69 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.541 0.736 . . . . 75.24 111.107 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.98 157.03 28.2 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 120.979 0.419 . . . . 72.52 110.68 171.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.78 151.95 32.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.508 0.723 . . . . 65.02 111.459 -169.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 1.6 pm0 -80.04 170.47 15.68 Favored Pre-proline 0 CA--C 1.568 1.648 0 C-N-CA 123.557 0.743 . . . . 70.21 109.301 163.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 21' ' ' GLU . 16.4 Cg_endo -56.44 88.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.181 1.921 . . . . 64.21 113.113 172.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -79.34 112.75 16.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.83 0.852 . . . . 63.0 110.925 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 p -156.04 -56.45 0.09 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.838 0.855 . . . . 75.4 109.826 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.29 -37.52 37.56 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.407 0.683 . . . . 74.22 110.044 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -73.42 107.38 5.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 107.85 -1.167 . . . . 72.21 107.85 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.26 92.7 1.41 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.397 0.679 . . . . 72.03 111.7 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -54.62 -43.05 71.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.652 0.781 . . . . 73.21 110.046 170.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.594 ' HG2' HG22 ' B' ' 52' ' ' VAL . 38.6 mtp -58.58 -49.12 78.62 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.526 -0.761 . . . . 72.22 111.576 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -70.97 -29.67 65.73 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.296 0.638 . . . . 73.54 111.646 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.68 -39.83 95.29 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.414 0.686 . . . . 71.24 110.346 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.23 -38.56 81.99 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.78 0.832 . . . . 72.41 112.088 173.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.94 -30.09 67.61 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.031 0.932 . . . . 64.13 112.908 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 m -58.36 -47.29 84.27 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.22 0.608 . . . . 71.32 111.322 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -71.95 -25.2 61.79 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.142 0.793 . . . . 75.23 113.142 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' B' ' 55' ' ' LEU . 67.8 mt -66.99 -19.73 65.76 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.742 0.417 . . . . 62.44 111.765 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -89.91 -30.61 17.74 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.898 -0.501 . . . . 72.52 111.902 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' SER . 8.0 mm-40 -72.33 -44.45 62.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.679 0.752 . . . . 73.33 111.288 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' B' ' 62' ' ' ILE . 87.5 mt -87.27 -1.49 57.94 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.788 -1.096 . . . . 72.32 112.76 -172.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 61' ' ' TYR . 77.1 t -111.39 105.34 56.84 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.515 0.726 . . . . 64.24 111.221 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.49 -15.66 30.85 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.169 2.579 . . . . 44.13 113.343 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.25 -26.6 64.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.451 0.548 . . . . 73.1 114.245 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.85 124.06 62.21 Favored Pre-proline 0 CA--C 1.565 1.556 0 C-N-CA 123.323 0.649 . . . . 74.14 110.594 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.42 -173.75 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.686 2.257 . . . . 64.44 113.731 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -60.77 103.8 0.29 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.48 0.712 . . . . 73.12 111.057 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.25 -109.83 3.06 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.885 -0.598 . . . . 42.05 112.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 m 64.66 115.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.115 1.366 . . . . 52.24 113.204 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -78.88 94.78 5.26 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.471 0.708 . . . . 74.3 110.138 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.72 134.79 41.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.769 0.827 . . . . 73.24 111.495 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -64.96 157.08 29.14 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.842 0.457 . . . . 44.11 109.997 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.47 -28.24 69.15 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.758 0.423 . . . . 74.45 112.116 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.5 t -72.13 -47.4 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 122.992 0.517 . . . . 73.5 110.653 171.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -55.77 -34.49 65.29 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.376 0.67 . . . . 63.24 111.913 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.8 mt -59.48 -50.36 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.351 0.66 . . . . 74.42 110.94 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.704 HD22 HD11 ' B' ' 36' ' ' LEU . 89.0 mt -57.55 -45.37 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.29 0.636 . . . . 62.22 111.67 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -34.2 77.67 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.153 0.981 . . . . 72.14 112.116 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.47 87.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.29 0.636 . . . . 63.0 111.061 172.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' ILE . 61.6 t -67.76 -39.8 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 123.174 0.59 . . . . 74.55 111.283 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.9 mt -58.52 -57.41 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.056 0.542 . . . . 75.44 110.373 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.61 -27.6 69.34 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.348 0.659 . . . . 73.31 112.657 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.581 ' HB2' HG13 ' A' ' 40' ' ' VAL . 24.1 t80 -61.47 -55.57 29.77 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.408 0.683 . . . . 73.23 111.362 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' B' ' 39' ' ' LEU . 45.9 mt -68.5 -31.24 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 C-N-CA 122.707 0.403 . . . . 73.32 110.951 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.27 -42.9 99.17 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.39 0.676 . . . . 71.41 111.535 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.13 -36.56 84.01 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.43 0.692 . . . . 74.41 111.823 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 83.4 mt -64.36 -47.12 80.51 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.19 0.596 . . . . 74.02 112.228 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -102.83 -55.5 2.42 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.405 -0.816 . . . . 54.02 112.53 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -75.29 105.34 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.276 0.63 . . . . 65.25 110.731 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 CA--C 1.565 1.54 0 C-N-CA 123.861 0.864 . . . . 60.54 110.849 177.375 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.109 -0.33 . . . . 73.04 110.109 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.71 172.44 54.41 Favored Glycine 0 N--CA 1.479 1.566 0 CA-C-O 120.373 -0.126 . . . . 54.41 113.147 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -81.24 102.7 10.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 117.189 0.494 . . . . 74.21 111.27 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -128.25 146.77 50.64 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 124.092 0.957 . . . . 75.23 109.873 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -82.31 109.16 16.32 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.613 0.365 . . . . 72.24 110.774 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -105.81 136.08 46.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.277 0.631 . . . . 72.41 110.39 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.489 ' ND1' ' HB2' ' B' ' 9' ' ' SER . 11.2 p80 -60.37 145.69 47.03 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.273 1.029 . . . . 74.32 112.33 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -60.97 -42.87 99.16 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.271 0.629 . . . . 74.02 111.575 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' B' ' 7' ' ' HIS . 34.5 t 66.2 -178.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.595 1.158 . . . . 61.51 113.011 172.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -159.88 136.99 9.45 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.012 0.925 . . . . 74.23 108.616 174.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 54.1 ttp -149.01 -48.01 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.891 0.377 . . . . 74.54 111.62 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.05 -90.36 0.13 Allowed Glycine 0 N--CA 1.469 0.841 0 N-CA-C 111.418 -0.673 . . . . 75.13 111.418 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.64 133.04 44.38 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 124.125 0.544 . . . . 61.15 113.986 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.78 -116.91 0.43 Allowed Glycine 0 C--N 1.349 1.301 0 CA-C-N 116.504 0.152 . . . . 71.14 113.359 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -106.85 106.47 17.01 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.988 0.915 . . . . 74.34 111.336 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.85 71.81 0.06 OUTLIER Glycine 0 CA--C 1.543 1.833 0 CA-C-O 119.874 -0.404 . . . . 72.12 113.341 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -80.17 -171.36 1.23 Allowed 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.188 2.592 . . . . 65.11 113.654 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.93 31.23 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.281 0.632 . . . . 61.11 111.714 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.59 -39.24 53.18 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.666 0.786 . . . . 52.53 111.812 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -147.91 171.06 16.36 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.648 0.779 . . . . 71.43 110.508 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.44 156.24 43.58 Favored Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.443 0.697 . . . . 72.22 111.473 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.44 -174.07 2.11 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.749 2.299 . . . . 71.31 112.606 169.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.39 119.78 16.03 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.9 0.48 . . . . 63.21 111.023 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -74.55 109.46 8.04 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.57 0.348 . . . . 74.55 110.141 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.62 -42.81 7.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.005 0.922 . . . . 60.51 110.495 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 tt -158.4 -58.37 0.07 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 107.0 -1.481 . . . . 65.13 107.0 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.72 75.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 74.43 111.986 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.07 -38.02 64.83 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 114.808 -1.087 . . . . 63.32 111.493 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.593 ' HG2' HG22 ' A' ' 52' ' ' VAL . 44.6 mtp -65.59 -37.11 85.7 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.516 -0.765 . . . . 74.42 112.003 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -65.35 -36.13 83.08 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.319 0.648 . . . . 73.42 110.892 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -65.83 -37.23 85.68 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.948 0.499 . . . . 73.01 110.958 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -67.48 -37.46 82.92 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.081 0.552 . . . . 75.22 111.952 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.38 -35.11 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.895 0.878 . . . . 75.52 111.795 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.1 t -60.63 -48.77 80.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.243 0.617 . . . . 43.53 110.675 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.21 -36.28 77.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.055 0.942 . . . . 71.32 112.565 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.704 HD11 HD22 ' A' ' 55' ' ' LEU . 80.5 mt -58.18 -55.87 29.34 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.781 -0.452 . . . . 63.32 109.781 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.28 -21.88 65.57 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.427 0.899 . . . . 73.14 113.427 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.02 -34.29 50.71 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.338 0.589 . . . . 74.25 110.483 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 62' ' ' ILE . 97.1 mt -87.85 -18.87 28.29 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.141 0.976 . . . . 74.55 112.314 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 36' ' ' LEU . 46.0 t -105.34 100.53 26.22 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 123.717 0.807 . . . . 72.44 110.767 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.2 -7.46 16.15 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.822 2.348 . . . . 74.24 113.124 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.32 19.62 8.18 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.815 0.686 . . . . 75.35 114.815 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.78 131.82 85.59 Favored Pre-proline 0 CA--C 1.565 1.541 0 C-N-CA 123.471 0.708 . . . . 55.35 110.57 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.432 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 12.2 Cg_endo -53.86 156.48 12.2 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.323 2.682 . . . . 73.54 114.564 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.5 108.03 0.89 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.331 1.053 . . . . 74.53 112.435 -170.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.84 2.42 61.22 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 114.921 0.729 . . . . 60.43 114.921 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 26.1 m -89.83 128.04 36.09 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.265 0.626 . . . . 55.54 110.536 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -78.59 -29.89 46.35 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.37 0.668 . . . . 62.24 112.12 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.48 121.31 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.851 1.261 . . . . 73.43 110.842 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.0 m -66.51 -64.05 0.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.153 0.427 . . . . 54.52 112.153 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -161.31 -55.65 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.43 0.53 . . . . 71.03 112.43 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.594 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.0 t -73.42 -37.58 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 121.722 0.772 . . . . 72.34 110.69 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.46 -29.35 67.74 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.135 -1.393 . . . . 70.44 111.422 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 58' ' ' VAL . 61.8 mt -65.71 -50.14 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.333 0.653 . . . . 73.42 110.63 172.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 36' ' ' LEU . 98.4 mt -59.59 -48.82 80.16 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.299 0.64 . . . . 63.3 112.283 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.41 -34.79 78.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.616 0.767 . . . . 71.11 111.72 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.85 -40.58 96.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.412 0.685 . . . . 74.54 111.085 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 54' ' ' ILE . 73.4 t -67.58 -45.18 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.728 0.811 . . . . 74.44 111.387 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.92 -53.14 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 122.898 0.479 . . . . 71.12 110.687 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.25 -40.18 81.11 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.95 0.9 . . . . 62.33 111.83 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 70.2 t80 -56.95 -50.58 72.19 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.416 1.087 . . . . 74.01 111.248 176.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 39' ' ' LEU . 77.9 mt -65.01 -40.9 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.782 0.833 . . . . 72.32 111.578 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.52 -41.65 98.99 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.411 0.684 . . . . 74.11 111.306 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.4 -29.84 70.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.956 0.902 . . . . 75.11 111.844 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 76.1 mt -75.39 -54.8 6.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.917 0.487 . . . . 44.4 111.579 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -101.32 -90.67 0.33 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.243 0.617 . . . . 71.32 111.664 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 m -109.88 120.09 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.736 0.814 . . . . 61.32 111.32 -168.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 118.885 -0.579 . . . . 74.12 111.867 -179.194 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 111.732 0.271 . . . . 72.12 111.732 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.73 140.88 28.67 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.143 0.402 . . . . 65.25 113.912 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -90.64 149.2 22.19 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.183 0.593 . . . . 64.43 111.335 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -149.52 141.22 23.55 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.821 0.848 . . . . 60.5 110.677 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -164.86 -173.69 3.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.367 1.067 . . . . 75.42 110.008 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -157.09 166.33 33.58 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.211 0.604 . . . . 74.33 110.708 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -144.49 134.02 23.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.693 0.797 . . . . 63.21 109.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -92.86 151.36 20.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.237 0.615 . . . . 71.41 111.207 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -132.68 172.61 12.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.779 0.832 . . . . 64.32 110.586 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -146.17 141.78 27.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.32 0.648 . . . . 71.43 110.509 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.7 ptm -80.2 157.83 26.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.598 0.713 . . . . 75.44 112.448 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.02 -162.7 20.53 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.248 -0.887 . . . . 44.45 112.314 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.41 -122.9 31.46 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 114.631 0.613 . . . . 51.22 114.631 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.84 95.09 0.11 Allowed Glycine 0 CA--C 1.537 1.415 0 N-CA-C 111.9 -0.48 . . . . 52.34 111.9 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.666 ' HG3' ' HB2' ' B' ' 18' ' ' ALA . 10.3 mtpm? -69.38 102.02 1.67 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.538 0.735 . . . . 61.41 110.914 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.17 -79.17 0.03 OUTLIER Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.412 -0.66 . . . . 53.24 113.045 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.74 109.76 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.93 2.42 . . . . 64.45 112.245 172.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HA ' ' HA ' ' B' ' 27' ' ' ASP . . . -134.73 131.4 37.57 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.923 0.889 . . . . 63.53 111.707 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' B' ' 7' ' ' HIS . . . -79.2 141.13 37.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.097 0.559 . . . . 43.2 111.212 172.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.38 165.15 15.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.91 -0.586 . . . . 73.11 110.337 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -57.51 118.18 23.58 Favored Pre-proline 0 CA--C 1.572 1.799 0 C-N-CA 123.162 0.585 . . . . 63.41 111.941 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 5.8 Cg_exo -78.73 55.85 5.7 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.289 2.659 . . . . 63.13 112.763 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt 65.4 173.71 0.22 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.427 1.491 . . . . 71.3 113.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -157.02 158.91 37.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.455 0.702 . . . . 64.33 111.174 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 tt -100.85 -63.31 1.14 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 108.539 -0.912 . . . . 63.32 108.539 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -122.84 114.73 20.9 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.457 -0.942 . . . . 74.14 108.457 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.93 80.07 2.81 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.51 0.724 . . . . 71.13 112.867 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.3 -39.59 68.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.386 0.674 . . . . 71.53 110.065 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.643 ' HG2' HG22 ' B' ' 52' ' ' VAL . 46.7 mtp -62.07 -36.56 82.04 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.265 -0.879 . . . . 72.34 111.691 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.99 -41.36 87.44 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.728 0.811 . . . . 73.31 111.788 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -73.03 -30.51 63.79 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.824 0.45 . . . . 72.24 111.636 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.3 m -65.61 -41.56 92.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.975 0.51 . . . . 63.43 110.944 171.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -68.88 -33.29 73.54 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.441 1.096 . . . . 75.43 111.99 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 44.3 t -62.34 -48.63 78.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.32 0.648 . . . . 53.3 110.246 172.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.154 0.982 . . . . 71.55 113.108 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 58' ' ' VAL . 96.9 mt -55.48 -55.24 34.04 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.703 0.627 . . . . 74.32 110.147 169.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.38 -27.08 65.65 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.803 1.241 . . . . 61.23 112.754 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' SER . 13.6 mm-40 -71.04 -41.19 71.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.239 0.542 . . . . 74.01 110.926 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.4 -23.36 37.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.153 -0.931 . . . . 75.24 111.622 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 36' ' ' LEU . 48.5 t -92.41 109.06 35.7 Favored Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 123.637 0.775 . . . . 51.15 110.853 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -83.42 -5.62 10.96 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.593 2.196 . . . . 64.43 113.043 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.72 49.84 4.3 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 123.147 0.403 . . . . 73.54 113.494 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.85 112.44 55.91 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.984 0.914 . . . . 71.23 109.735 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 14.2 Cg_exo -69.61 122.54 9.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.643 2.229 . . . . 64.32 111.825 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -72.09 119.27 16.04 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.373 0.669 . . . . 60.33 110.87 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.95 -15.66 33.64 Favored Glycine 0 N--CA 1.479 1.507 0 CA-C-N 116.253 -0.431 . . . . 53.33 113.083 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 44' ' ' PRO . 54.4 m -73.37 -49.74 25.66 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.839 0.856 . . . . 63.2 112.238 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 67.75 130.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.071 1.348 . . . . 44.35 111.865 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt -109.56 132.11 54.44 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.271 0.629 . . . . 74.11 111.457 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.6 p -83.06 176.36 9.3 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 123.023 0.529 . . . . 62.31 109.707 166.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.13 -34.38 71.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 117.966 0.348 . . . . 74.34 111.56 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' B' ' 29' ' ' MET . 16.4 t -70.46 -46.16 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.869 0.468 . . . . 73.44 111.157 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 42.1 mm-40 -61.3 -38.48 86.96 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.295 0.638 . . . . 73.33 111.808 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.1 mt -61.75 -47.73 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.204 0.602 . . . . 63.14 110.783 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -49.52 -46.22 48.24 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.169 0.588 . . . . 74.23 111.511 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -67.83 -40.21 83.8 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.135 -0.939 . . . . 72.14 112.196 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 13.0 mmp_? -67.36 -32.77 73.93 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 122.985 0.514 . . . . 72.35 111.929 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 36' ' ' LEU . 91.5 t -69.18 -41.32 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 123.261 0.624 . . . . 71.54 110.715 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 95.6 mt -57.75 -50.67 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 122.583 0.353 . . . . 62.33 110.543 173.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -54.38 -46.1 72.97 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.628 0.771 . . . . 71.15 111.908 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.45 -48.41 79.25 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.416 1.086 . . . . 72.05 112.167 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' B' ' 39' ' ' LEU . 64.5 mt -67.94 -30.41 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 122.792 0.437 . . . . 73.21 110.705 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 96.9 mt -65.87 -33.11 75.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.649 0.379 . . . . 71.35 111.494 173.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.3 -34.64 77.8 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.105 0.562 . . . . 72.22 111.902 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.62 -33.4 72.59 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.258 0.623 . . . . 71.34 111.472 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -89.44 152.35 21.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.846 0.858 . . . . 63.25 111.349 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.39 176.68 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.45 0.7 . . . . 62.2 110.712 172.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.569 1.68 0 C-N-CA 122.895 0.478 . . . . 64.13 112.048 176.515 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 111.759 0.281 . . . . 73.23 111.759 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.2 79.2 0.53 Allowed Glycine 0 N--CA 1.48 1.578 0 N-CA-C 113.856 0.302 . . . . 62.31 113.856 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -135.59 -55.87 0.79 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.987 0.915 . . . . 70.13 110.806 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -69.6 120.58 15.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.604 0.761 . . . . 75.13 112.175 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -169.12 135.65 1.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.421 1.089 . . . . 73.15 109.171 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -91.48 59.86 3.94 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 121.326 0.584 . . . . 72.34 111.477 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.44 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 16.7 p-80 -81.14 82.21 7.13 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.896 0.855 . . . . 54.1 110.378 173.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -82.33 70.04 9.2 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.061 0.944 . . . . 75.12 109.875 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t 64.58 1.56 1.38 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.663 1.185 . . . . 62.51 114.141 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 65.89 -71.0 0.09 Allowed 'General case' 0 CA--C 1.567 1.596 0 C-N-CA 125.484 1.514 . . . . 72.42 111.157 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -106.77 -61.08 1.58 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.71 0.804 . . . . 60.11 111.179 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.65 -157.75 31.59 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 112.028 -0.429 . . . . 71.5 112.028 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.36 -3.84 59.93 Favored Glycine 0 N--CA 1.48 1.567 0 N-CA-C 114.205 0.442 . . . . 62.04 114.205 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.18 42.72 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 116.919 0.359 . . . . 73.35 113.727 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -136.0 145.84 46.54 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.272 1.029 . . . . 74.05 110.981 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.25 150.98 7.99 Favored Glycine 0 CA--C 1.546 2.028 0 CA-C-O 119.34 -0.7 . . . . 70.2 112.883 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.51 145.82 65.86 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.079 2.519 . . . . 72.15 112.6 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.666 ' HB2' ' HG3' ' A' ' 15' ' ' LYS . . . -144.5 -170.6 3.42 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.242 0.617 . . . . 71.13 112.033 -175.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.7 -171.59 2.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.107 0.963 . . . . 75.11 110.208 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.18 115.89 15.31 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 122.455 0.302 . . . . 73.33 111.192 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.29 146.11 47.13 Favored Pre-proline 0 CA--C 1.567 1.598 0 C-N-CA 123.983 0.913 . . . . 74.12 110.706 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.19 157.35 58.0 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.794 2.33 . . . . 75.2 111.497 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -64.37 94.74 0.12 Allowed 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 121.702 0.763 . . . . 72.1 110.49 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -174.25 -160.53 0.1 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.522 1.529 . . . . 70.32 109.027 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.12 151.37 43.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.989 0.515 . . . . 42.34 112.136 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tt -72.48 -77.79 0.09 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.079 -0.711 . . . . 70.41 109.079 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 18' ' ' ALA . 40.9 m-20 53.03 115.0 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.356 1.862 . . . . 74.34 114.48 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.89 -34.38 28.07 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 124.038 0.935 . . . . 65.42 110.91 169.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.2 mtp -64.56 -45.71 85.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.967 0.907 . . . . 61.35 111.58 175.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.5 -42.78 99.73 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.393 1.077 . . . . 54.33 112.254 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -64.24 -36.09 82.96 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.861 0.464 . . . . 73.43 111.831 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.53 -39.82 80.99 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 122.868 0.467 . . . . 52.3 111.624 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' TYR . . . . . 0.433 ' HD1' HG21 ' B' ' 54' ' ' ILE . 14.8 m-85 -66.38 -34.42 77.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.805 0.842 . . . . 62.21 112.072 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -57.95 -51.89 67.76 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.304 0.642 . . . . 71.42 110.318 173.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 2.3 mmp_? -61.66 -41.1 97.07 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.008 -0.996 . . . . 71.14 112.517 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 40' ' ' VAL . 85.5 mt -56.67 -51.3 69.27 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 117.988 0.358 . . . . 70.23 110.731 174.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -55.5 -31.2 61.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.634 0.773 . . . . 74.24 112.398 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.02 -31.79 34.45 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.917 0.487 . . . . 61.32 111.542 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' ' 62' ' ' ILE . 95.8 mt -83.61 -15.81 47.64 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.834 0.854 . . . . 51.14 111.986 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.3 t -86.11 108.33 16.8 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 109.613 -0.514 . . . . 73.51 109.613 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.5 16.1 2.04 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 123.027 2.485 . . . . 71.45 113.787 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.97 36.0 2.61 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 113.72 0.248 . . . . 25.22 113.72 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.92 115.68 65.71 Favored Pre-proline 0 CA--C 1.561 1.401 0 C-N-CA 123.136 0.575 . . . . 64.54 110.69 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.03 140.95 51.43 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.679 2.253 . . . . 65.44 112.378 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 106.7 2.47 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.218 0.607 . . . . 62.53 110.429 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.59 -22.07 6.6 Favored Glycine 0 N--CA 1.477 1.41 0 CA-C-N 116.076 -0.511 . . . . 54.01 112.714 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -74.76 100.7 4.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.604 0.762 . . . . 72.01 110.813 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.3 101.17 3.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.416 0.686 . . . . 71.25 110.732 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.92 108.3 6.66 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.061 0.544 . . . . 73.4 110.993 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.24 163.21 13.2 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.207 0.603 . . . . 73.02 110.731 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -49.89 -47.21 52.13 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.07 0.948 . . . . 61.42 113.058 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 29' ' ' MET . 9.1 t -72.58 -41.88 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.796 -0.638 . . . . 72.12 111.142 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -59.85 -29.21 68.13 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.043 0.937 . . . . 73.32 113.243 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.433 HG21 ' HD1' ' B' ' 33' ' ' TYR . 95.7 mt -59.93 -52.6 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.191 0.596 . . . . 54.53 109.99 170.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -41.2 89.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 63.23 111.422 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -60.26 -41.87 94.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.947 0.899 . . . . 74.12 111.938 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -69.14 -32.72 72.27 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.996 0.518 . . . . 73.51 111.837 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 65.7 t -73.12 -48.09 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 122.745 0.418 . . . . 73.02 111.696 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -58.55 -50.12 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 123.096 0.558 . . . . 63.13 110.424 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.79 -36.37 78.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.345 1.058 . . . . 64.22 112.181 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.42 -51.02 71.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.114 0.966 . . . . 74.12 111.597 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.36 -35.75 68.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 123.111 0.564 . . . . 55.05 111.285 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 68' ' ' VAL . 86.6 mt -67.85 -29.78 69.01 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.687 0.795 . . . . 73.51 112.045 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.37 -36.02 78.58 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.082 0.553 . . . . 63.53 110.911 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.92 -48.68 43.74 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.529 0.68 . . . . 74.45 110.757 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.43 -160.83 0.68 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.385 1.074 . . . . 72.41 110.445 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 m -94.78 138.95 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 O-C-N 121.894 -0.504 . . . . 52.23 110.771 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.653 HG22 ' HB3' ' B' ' 63' ' ' LEU . 49.1 t . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.051 0.54 . . . . 75.22 110.298 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.638 0.256 . . . . 61.11 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.17 -132.83 1.98 Allowed Glycine 0 CA--C 1.535 1.306 0 CA-C-N 116.187 -0.46 . . . . 62.0 113.677 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -143.66 -164.29 1.84 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.735 0.814 . . . . 71.22 108.972 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -81.99 23.81 0.68 Allowed 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.038 0.935 . . . . 72.14 112.845 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -79.5 76.96 6.1 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.091 0.948 . . . . 63.22 111.267 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -105.31 134.53 48.27 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.714 -0.675 . . . . 74.14 110.892 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -81.64 176.75 9.38 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.84 0.456 . . . . 73.04 110.346 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -146.02 140.98 27.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 120.836 0.351 . . . . 71.52 111.056 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' HB3' ' HB1' ' B' ' 19' ' ' ALA . 44.0 t -157.21 171.75 19.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.358 1.063 . . . . 73.21 110.026 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -154.22 85.33 1.14 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.319 1.048 . . . . 73.51 109.068 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ttt -146.16 137.36 24.57 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.295 1.038 . . . . 52.01 110.102 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.45 95.46 0.15 Allowed Glycine 0 C--N 1.347 1.146 0 N-CA-C 112.342 -0.303 . . . . 71.31 112.342 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.81 -74.91 1.23 Allowed Glycine 0 CA--C 1.533 1.193 0 N-CA-C 111.017 -0.833 . . . . 31.43 111.017 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.81 82.56 0.04 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 116.078 1.191 . . . . 50.41 116.078 168.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -154.38 102.74 2.45 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.086 0.47 . . . . 72.14 110.924 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 63.39 0.01 OUTLIER Glycine 0 CA--C 1.546 2.009 0 CA-C-N 115.732 -0.667 . . . . 75.21 112.521 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -80.89 75.8 4.85 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 123.427 2.751 . . . . 63.43 112.115 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.68 3.42 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.502 1.121 . . . . 72.01 111.28 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.79 107.14 5.06 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.71 0.804 . . . . 73.45 111.542 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -121.96 107.6 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.746 0.818 . . . . 71.13 109.902 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.92 138.97 39.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 122.605 0.362 . . . . 74.33 110.549 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.15 127.08 12.37 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.392 2.061 . . . . 63.24 112.229 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 135.95 55.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.852 0.461 . . . . 63.51 111.223 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.6 t -128.33 166.75 18.04 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.503 0.721 . . . . 71.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp 65.4 -78.78 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 125.31 1.444 . . . . 73.25 112.423 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 tt -157.94 169.75 23.89 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.808 0.843 . . . . 72.4 109.692 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.21 36.96 0.1 Allowed 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 124.435 1.094 . . . . 74.03 113.0 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -55.67 -42.6 75.34 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.835 0.854 . . . . 74.3 112.225 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ttm -60.55 -49.16 78.67 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.76 0.824 . . . . 71.43 111.689 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -66.97 -31.75 72.54 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.478 0.711 . . . . 73.03 111.754 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -65.9 -51.07 61.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.43 1.092 . . . . 73.13 109.88 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 72.6 m -59.36 -42.92 92.68 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.493 -1.23 . . . . 75.11 111.672 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.02 -39.06 93.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.76 0.824 . . . . 74.32 113.079 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 m -60.07 -47.77 84.5 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.988 0.423 . . . . 72.0 110.491 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.81 -36.74 83.06 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.217 -0.901 . . . . 74.11 112.348 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 40' ' ' VAL . 62.7 mt -60.19 -52.47 65.18 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.838 0.455 . . . . 64.44 110.676 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HG3' HG11 ' A' ' 43' ' ' VAL . 44.3 ttt180 -55.22 -27.35 45.48 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.355 1.062 . . . . 73.23 112.618 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.91 -40.39 20.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.053 0.941 . . . . 73.25 111.417 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' B' ' 62' ' ' ILE . 96.3 mt -79.22 -7.95 58.64 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.563 0.745 . . . . 64.45 112.303 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' A' ' 61' ' ' TYR . 58.2 t -104.31 98.99 15.53 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.645 0.778 . . . . 73.43 111.058 175.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.22 142.66 50.95 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.403 2.069 . . . . 75.02 110.851 167.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.01 -21.4 15.78 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-N 116.454 -0.339 . . . . 73.04 112.428 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 37' ' ' ARG . 87.6 t -67.12 121.42 78.24 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.639 0.376 . . . . 71.33 110.139 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 112.98 3.47 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.529 2.153 . . . . 65.32 112.227 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -69.18 91.72 0.53 Allowed 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 109.269 -0.641 . . . . 74.2 109.269 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 149.25 -35.08 1.07 Allowed Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.216 -0.902 . . . . 72.04 111.206 -170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -81.46 130.72 35.15 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.402 0.681 . . . . 52.54 109.941 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -67.6 -44.56 77.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.844 0.683 . . . . 74.42 112.844 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt 62.15 -167.03 0.21 Allowed 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 124.099 0.96 . . . . 73.24 111.955 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.66 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 47.2 t -146.57 172.24 13.87 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.134 0.974 . . . . 64.03 109.782 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.814 0.846 . . . . 73.03 111.699 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' B' ' 29' ' ' MET . 3.4 t -72.24 -42.05 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 115.584 -0.734 . . . . 64.32 110.884 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.66 ' HB2' ' H ' ' A' ' 50' ' ' SER . 25.5 mm-40 -58.94 -35.32 72.92 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.649 0.78 . . . . 61.11 112.597 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.5 mt -61.27 -49.59 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 110.029 -0.36 . . . . 75.35 110.029 173.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.37 -45.44 69.21 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.523 0.729 . . . . 73.42 111.848 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -60.09 -49.1 78.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.475 0.71 . . . . 70.35 110.868 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -61.18 -33.79 74.01 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.986 0.914 . . . . 73.23 112.177 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.6 t -68.29 -42.98 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.17 0.588 . . . . 75.14 110.838 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.95 -47.69 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.739 0.416 . . . . 74.01 110.57 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.97 -42.98 77.11 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.68 0.792 . . . . 61.44 111.24 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.53 ' HB2' HG13 ' A' ' 40' ' ' VAL . 64.7 t80 -56.03 -50.04 72.03 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.239 1.016 . . . . 75.42 111.503 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 58' ' ' VAL . 67.8 mt -62.94 -38.42 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.293 0 C-N-CA 123.274 0.63 . . . . 73.02 111.06 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 -36.49 83.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.264 0.626 . . . . 71.3 112.031 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.04 -31.03 64.16 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.393 0.677 . . . . 73.32 111.962 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 78.6 mt -64.01 -36.25 83.38 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.316 0.579 . . . . 71.53 111.057 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.78 -56.89 4.31 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 115.215 -0.902 . . . . 72.02 111.132 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.32 125.15 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.664 0.785 . . . . 55.45 111.251 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 N--CA 1.489 1.505 0 C-N-CA 123.727 0.811 . . . . 53.0 109.508 169.151 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mmt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.47 0.176 . . . . 74.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.39 95.8 1.39 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 111.849 -0.5 . . . . 62.24 111.849 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -136.3 140.39 43.34 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.281 0.633 . . . . 73.54 111.842 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -152.86 156.99 40.04 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.38 1.072 . . . . 74.12 110.321 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -155.22 124.71 6.39 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.185 0.594 . . . . 73.23 110.544 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -170.14 159.55 7.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.387 1.075 . . . . 74.31 110.426 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -160.66 -74.72 0.06 Allowed 'General case' 0 CA--C 1.564 1.486 0 C-N-CA 123.269 0.628 . . . . 62.12 111.849 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 38.8 m80 59.98 149.0 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.231 1.412 . . . . 63.3 113.926 -169.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t -127.25 131.92 50.47 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.133 0.973 . . . . 74.52 110.876 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -136.09 112.89 10.21 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.808 0.843 . . . . 75.2 109.557 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 63.3 mtt -116.79 178.09 4.47 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.058 0.543 . . . . 71.4 111.144 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.37 -59.03 3.18 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.648 -0.251 . . . . 54.02 113.468 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.42 50.94 2.84 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 113.885 0.314 . . . . 73.45 113.885 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.61 68.48 3.35 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 112.069 -0.412 . . . . 71.31 112.069 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -162.96 150.64 13.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.97 0.908 . . . . 71.32 110.85 -172.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.18 90.64 0.12 Allowed Glycine 0 CA--C 1.539 1.544 0 CA-C-O 119.901 -0.388 . . . . 71.21 112.998 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -89.75 -172.56 0.62 Allowed 'Trans proline' 0 CA--C 1.56 1.813 0 C-N-CA 123.226 2.617 . . . . 64.41 112.764 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.02 171.77 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 125.184 1.393 . . . . 72.1 112.876 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 9' ' ' SER . . . -85.57 -32.95 21.85 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.217 0.607 . . . . 71.21 110.689 172.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.85 168.41 27.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.365 1.066 . . . . 75.23 110.029 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -134.87 160.54 68.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.457 0.703 . . . . 55.02 111.212 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -80.69 11.41 2.95 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 123.123 2.549 . . . . 53.41 113.943 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt 60.24 28.78 18.4 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.056 1.342 . . . . 72.5 113.27 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -63.8 -88.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.237 0.615 . . . . 71.33 111.074 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.02 -66.89 0.61 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.976 -1.12 . . . . 72.1 107.976 169.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -147.65 -67.33 0.25 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 105.754 -1.943 . . . . 70.43 105.754 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 56.64 79.46 0.18 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 124.974 1.421 . . . . 61.21 111.94 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -51.61 -33.45 33.13 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.279 0.632 . . . . 63.31 111.369 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' A' ' 52' ' ' VAL . 25.0 mtp -58.53 -49.87 75.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 114.884 -1.053 . . . . 75.3 110.957 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -62.92 -38.04 89.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.973 0.909 . . . . 74.31 111.764 -176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -67.63 -34.35 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.91 0.484 . . . . 63.53 111.491 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.74 -38.63 87.04 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.319 -0.4 . . . . 70.13 111.085 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -67.75 -29.78 69.08 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.173 0.989 . . . . 73.02 112.01 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 55.8 m -61.41 -46.47 90.0 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.281 0.632 . . . . 64.4 109.998 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.3 -43.19 95.49 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.363 0.665 . . . . 75.33 112.463 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.15 -17.86 64.99 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.001 0.52 . . . . 71.32 112.131 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -86.24 -39.16 16.85 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.229 0.612 . . . . 64.21 111.549 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 34' ' ' SER . 63.2 mm-40 -86.67 -39.4 16.1 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 112.896 0.702 . . . . 71.05 112.896 -170.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -76.11 -19.9 58.12 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.635 0.774 . . . . 60.02 111.596 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -93.32 109.76 42.3 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 123.252 0.621 . . . . 72.41 109.424 174.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.79 14.0 1.98 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.44 114.389 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.52 1.17 61.84 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-O 119.675 -0.514 . . . . 70.1 114.09 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -81.43 124.92 79.92 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-N 117.206 0.503 . . . . 61.25 112.159 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.33 143.73 48.96 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.862 2.375 . . . . 74.23 112.433 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -69.23 96.09 0.81 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.437 0.695 . . . . 73.35 109.456 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.87 102.91 1.0 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 110.927 -0.869 . . . . 43.21 110.927 -169.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -153.6 174.92 13.83 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.613 0.765 . . . . 73.34 111.84 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -102.54 28.53 5.94 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.013 0.925 . . . . 70.12 112.442 -171.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.9 115.59 14.67 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.758 0.651 . . . . 73.52 112.758 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.418 ' OG ' ' HG2' ' B' ' 53' ' ' GLU . 54.7 p -84.8 175.88 8.87 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.458 -0.571 . . . . 60.33 109.458 166.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.0 -35.75 75.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.11 0.564 . . . . 74.34 111.832 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' B' ' 56' ' ' GLN . 40.3 t -68.22 -46.43 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 122.742 0.417 . . . . 71.01 110.563 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 15.2 mm-40 -58.75 -38.19 77.89 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.584 0.754 . . . . 70.42 111.953 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.535 HG12 HH21 ' B' ' 57' ' ' ARG . 84.9 mt -59.62 -48.04 88.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.608 0.763 . . . . 71.34 111.34 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.5 -43.6 71.95 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.567 0.747 . . . . 62.04 112.233 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 52' ' ' VAL . 67.5 mt-30 -60.02 -48.87 79.91 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.321 -0.854 . . . . 55.0 111.025 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.535 HH21 HG12 ' B' ' 54' ' ' ILE . 37.3 mtm105 -60.25 -38.39 83.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.633 0.773 . . . . 61.45 112.476 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.412 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -64.67 -39.73 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.166 0.586 . . . . 74.34 110.855 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.02 -50.04 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 122.779 0.432 . . . . 61.24 110.504 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.55 -34.49 74.23 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.379 0.672 . . . . 64.23 112.132 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.405 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 81.9 t80 -65.25 -49.27 70.29 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.804 0.842 . . . . 74.14 110.875 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 39' ' ' LEU . 84.3 mt -62.35 -54.9 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 123.434 0.693 . . . . 65.21 110.687 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.12 -29.69 68.78 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.938 0.895 . . . . 70.41 112.68 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.76 -45.67 91.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.521 0.728 . . . . 63.51 111.288 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.5 mt -65.72 -39.53 91.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.204 0.602 . . . . 72.41 111.352 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 14.9 mm100 -61.98 -58.07 9.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.027 0.931 . . . . 62.13 112.386 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.77 160.52 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.447 0.699 . . . . 72.32 112.244 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.857 0.863 . . . . 39.15 110.429 177.744 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 110.308 -0.256 . . . . 64.02 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.75 28.35 70.95 Favored Glycine 0 CA--C 1.54 1.642 0 CA-C-N 116.575 -0.284 . . . . 73.01 113.249 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -111.34 116.83 31.64 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.277 1.031 . . . . 71.25 110.383 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -102.15 103.85 14.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.485 0.714 . . . . 65.42 110.505 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -71.41 97.96 1.72 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.504 0.722 . . . . 72.11 111.322 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -163.23 -35.62 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.879 1.272 . . . . 54.31 110.065 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -65.35 107.12 1.54 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.135 0.974 . . . . 73.53 111.826 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -79.07 119.62 22.46 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.79 0.836 . . . . 62.42 110.339 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -87.23 89.49 8.02 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.271 0.629 . . . . 71.04 111.034 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.17 103.22 15.13 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.649 0.78 . . . . 72.43 110.566 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.6 mtm -127.25 134.65 50.04 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.856 0.862 . . . . 73.13 110.432 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.72 35.89 2.15 Favored Glycine 0 N--CA 1.479 1.55 0 CA-C-N 116.676 -0.238 . . . . 53.15 112.724 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.62 -167.66 53.97 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.689 -0.255 . . . . 71.5 113.645 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.67 165.68 36.58 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.364 0.425 . . . . 64.32 113.288 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 157.87 31.19 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.67 1.188 . . . . 72.1 109.078 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.2 92.68 0.08 OUTLIER Glycine 0 C--N 1.344 1.013 0 CA-C-O 119.051 -0.861 . . . . 61.52 112.794 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.22 88.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.913 2.409 . . . . 50.11 112.23 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.15 93.51 1.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.208 1.003 . . . . 70.31 109.633 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HB2' ' HE2' ' B' ' 15' ' ' LYS . . . -150.07 117.85 6.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 71.21 110.33 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.17 117.61 34.16 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.512 0.725 . . . . 64.14 109.552 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -75.0 136.07 73.43 Favored Pre-proline 0 CA--C 1.563 1.464 0 C-N-CA 122.54 0.336 . . . . 71.32 110.758 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -83.0 -173.76 1.8 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.821 2.348 . . . . 73.14 113.518 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.4 mt -90.26 178.75 6.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.408 0.683 . . . . 74.42 112.028 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -84.3 73.25 10.48 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.73 0.776 . . . . 73.42 110.51 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.22 178.44 4.31 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.625 0.77 . . . . 71.43 110.724 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -78.78 -52.9 7.71 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 108.938 -0.764 . . . . 74.34 108.938 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 62.42 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.591 1.557 . . . . 74.0 111.977 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.54 -38.39 77.71 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.737 0.815 . . . . 74.45 110.794 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.633 ' HB3' HG22 ' B' ' 52' ' ' VAL . 9.2 ptm -67.46 -35.33 78.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.029 -0.987 . . . . 72.44 112.132 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.96 -38.17 79.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.748 0.819 . . . . 74.03 110.588 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.38 -41.64 98.79 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.824 -0.626 . . . . 72.11 110.75 171.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -62.53 -39.02 92.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.348 0.659 . . . . 72.14 111.347 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -65.24 -35.3 80.63 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.938 0.895 . . . . 75.24 112.65 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -61.74 -43.84 98.08 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.927 -0.579 . . . . 44.45 110.405 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -31.56 60.73 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.38 0.672 . . . . 61.3 112.214 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.1 mt -62.07 -45.12 94.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.032 0.378 . . . . 70.41 110.225 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -60.45 -19.45 56.45 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.339 0.866 . . . . 74.23 113.339 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.21 -39.41 15.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.167 0.587 . . . . 65.1 110.392 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.9 mt -72.66 -25.74 61.39 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.755 0.822 . . . . 72.23 111.936 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.2 t -94.5 108.66 38.23 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.711 0.804 . . . . 75.12 110.494 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.79 -9.26 17.0 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.514 2.143 . . . . 61.4 113.036 176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.03 9.08 58.43 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.501 0.56 . . . . 74.3 114.501 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.68 120.77 81.0 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 117.556 0.678 . . . . 74.23 110.847 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.23 144.42 80.95 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.669 2.246 . . . . 73.03 112.609 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -68.75 130.18 42.06 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.399 0.68 . . . . 70.04 111.574 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 40.47 94.57 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.461 0.476 . . . . 62.24 113.424 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 m -128.89 112.0 13.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.456 0.702 . . . . 73.14 110.643 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.17 95.57 4.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.237 0.615 . . . . 71.44 109.868 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.8 mt -77.11 113.62 15.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.952 -0.567 . . . . 60.23 110.163 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 42.0 t -60.93 158.31 13.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.772 0.429 . . . . 63.54 110.558 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.19 -34.93 33.84 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.187 0.81 . . . . 72.11 113.187 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.668 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.9 t -72.15 -42.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.5 0.72 . . . . 64.23 111.027 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 50' ' ' SER . 6.6 mm-40 -70.26 -27.29 64.32 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.846 0.858 . . . . 73.2 111.512 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.9 mt -64.04 -48.17 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.85 0.86 . . . . 62.34 110.056 172.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 36' ' ' LEU . 95.1 mt -52.81 -48.11 67.16 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.401 0.68 . . . . 74.34 111.793 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.18 -43.91 97.77 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.951 -1.022 . . . . 71.21 111.408 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -33.81 76.66 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.512 0.725 . . . . 72.33 111.44 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ILE . 93.1 t -68.11 -36.92 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 123.391 0.676 . . . . 71.32 110.785 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.39 -46.38 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 122.848 0.459 . . . . 73.51 110.422 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.88 -50.12 71.51 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 122.973 0.509 . . . . 72.51 111.303 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.78 -49.47 70.84 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.236 1.014 . . . . 74.21 112.26 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.7 mt -69.54 -37.06 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.005 0.522 . . . . 60.04 111.233 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.83 -30.77 71.06 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 112.534 0.568 . . . . 73.44 112.534 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.4 -31.04 63.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.094 0.558 . . . . 63.23 111.815 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.96 -29.89 50.08 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.33 0.586 . . . . 74.34 111.637 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -103.68 -166.59 1.27 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.541 1.137 . . . . 74.1 110.129 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.49 -167.07 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.563 0.745 . . . . 74.32 110.865 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 123.363 0.665 . . . . 63.02 110.924 175.525 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.494 0.187 . . . . 70.43 110.724 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.8 45.16 0.08 OUTLIER Glycine 0 N--CA 1.473 1.135 0 N-CA-C 111.635 -0.586 . . . . 64.53 111.635 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -67.65 102.2 1.15 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.176 0.99 . . . . 75.51 111.978 -173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -77.28 140.93 40.16 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.271 0.628 . . . . 71.3 110.631 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -155.2 -10.89 0.12 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.251 0.463 . . . . 64.02 112.251 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -71.31 138.51 49.36 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.25 0.548 . . . . 75.32 111.361 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -83.42 -62.7 1.52 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.664 0.786 . . . . 65.34 112.75 -168.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -104.5 116.73 32.61 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.796 0.665 . . . . 62.1 112.796 -170.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -146.13 106.16 4.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.558 1.143 . . . . 64.44 108.62 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -126.18 91.35 3.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.981 0.913 . . . . 73.42 109.95 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.1 ptp -92.71 147.32 22.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.095 0.558 . . . . 70.12 111.342 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.9 114.37 4.33 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.906 -0.386 . . . . 72.11 112.153 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.87 69.06 2.47 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.865 0.332 . . . . 64.2 113.798 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.1 116.11 5.49 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.007 0.337 . . . . 23.43 112.589 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -119.7 171.8 8.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.597 0.759 . . . . 64.0 110.018 177.351 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.36 98.0 1.9 Allowed Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.025 -1.63 . . . . 43.33 109.025 161.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.62 144.15 76.25 Favored 'Trans proline' 0 C--N 1.388 2.614 0 C-N-CA 123.165 2.576 . . . . 73.35 113.763 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' B' ' 28' ' ' ASP . . . -72.35 178.53 3.9 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.822 0.849 . . . . 72.53 112.59 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 26.31 0.33 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.595 0.961 . . . . 62.41 113.595 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -110.4 171.2 7.6 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.521 0.728 . . . . 51.54 112.042 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.11 154.52 79.98 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.026 -0.988 . . . . 64.24 111.366 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 100.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.87 2.38 . . . . 73.12 113.145 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -116.15 167.36 11.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.015 0.926 . . . . 62.51 110.577 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 77.5 p -49.51 -40.78 38.9 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 124.486 1.114 . . . . 62.1 113.077 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -139.04 108.02 6.0 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.747 -0.835 . . . . 72.23 108.747 176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.61 128.48 42.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.775 -0.824 . . . . 72.3 108.775 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -90.9 56.55 3.25 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.881 0.873 . . . . 71.23 111.574 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' B' ' 18' ' ' ALA . 10.4 m-20 -51.78 -39.5 58.74 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.734 1.213 . . . . 72.3 112.728 -175.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.668 ' HG2' HG22 ' A' ' 52' ' ' VAL . 38.7 mtp -71.54 -40.7 69.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.01 -0.995 . . . . 50.14 112.169 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -64.3 -36.07 82.91 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.924 0.889 . . . . 75.5 111.915 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.4 -42.34 77.8 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.366 0.667 . . . . 74.5 111.191 173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.0 m -72.39 -39.9 67.62 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.421 0.689 . . . . 73.13 111.502 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.58 -36.21 73.61 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.83 0.852 . . . . 71.5 112.285 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 52.3 m -56.52 -49.29 75.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.516 0.726 . . . . 73.42 111.737 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -74.28 -26.33 60.13 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.36 0.504 . . . . 72.24 112.36 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.502 HD11 HD22 ' A' ' 55' ' ' LEU . 89.5 mt -58.84 -49.73 76.65 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.839 -0.43 . . . . 73.14 109.839 169.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -58.11 -28.62 64.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.848 0.684 . . . . 75.24 112.848 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.9 mm-40 -81.96 -43.33 18.2 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.313 0.645 . . . . 63.52 110.353 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.2 mt -78.25 -16.11 58.13 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.095 -0.957 . . . . 71.2 112.056 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 41.4 t -103.66 96.64 9.23 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.701 0.8 . . . . 75.53 110.542 174.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.41 -3.26 13.6 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.552 2.168 . . . . 73.32 112.583 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.71 -4.93 77.55 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.903 -0.387 . . . . 63.35 113.82 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' B' ' 57' ' ' ARG . 26.9 t -79.21 122.32 84.1 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 117.187 0.493 . . . . 74.21 110.045 171.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.489 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 20.3 Cg_endo -71.73 110.56 2.92 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 121.484 1.456 . . . . 64.12 110.394 169.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.42 91.14 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.641 0.776 . . . . 73.0 110.937 -170.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.32 20.95 1.71 Allowed Glycine 0 N--CA 1.48 1.633 0 CA-C-N 115.713 -0.676 . . . . 53.33 113.21 -175.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.509 HG23 ' HG ' ' B' ' 49' ' ' LEU . 9.7 t -87.57 -17.32 32.25 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.708 0.803 . . . . 43.43 112.513 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 61.94 78.76 0.28 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.423 1.089 . . . . 74.14 112.069 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.509 ' HG ' HG23 ' B' ' 47' ' ' THR . 76.2 mt -101.79 142.73 32.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.499 0.72 . . . . 63.23 110.922 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 t -85.18 175.6 8.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.845 0.458 . . . . 72.4 110.147 168.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -48.83 -37.85 20.56 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.666 1.186 . . . . 75.15 113.02 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.4 t -72.04 -47.4 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 123.426 0.69 . . . . 71.22 111.797 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' B' ' 49' ' ' LEU . 1.7 mp0 -67.28 -26.2 66.43 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.187 0.595 . . . . 74.43 112.187 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.87 -51.73 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.772 -0.455 . . . . 75.03 109.772 168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.52 -42.66 96.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.716 0.807 . . . . 62.32 111.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.84 -45.49 92.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.473 0.709 . . . . 74.44 110.874 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.709 ' HG2' HG22 ' B' ' 43' ' ' VAL . 0.3 OUTLIER -66.6 -34.49 78.01 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.552 0.741 . . . . 60.4 111.486 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.14 -41.85 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.387 0.675 . . . . 72.31 110.665 173.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.54 -48.06 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 122.71 0.404 . . . . 62.01 110.431 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -57.44 -41.86 81.33 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.546 0.738 . . . . 64.43 111.774 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.49 -51.1 70.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.572 1.149 . . . . 75.2 111.69 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 39' ' ' LEU . 87.9 mt -61.72 -47.42 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.363 0.665 . . . . 64.24 110.474 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -32.92 73.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.77 0.828 . . . . 73.31 112.441 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.38 -39.45 87.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.799 0.84 . . . . 72.53 110.799 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.12 -36.2 27.74 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.66 0.784 . . . . 72.13 111.81 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.59 -37.88 73.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.14 0.976 . . . . 74.25 112.084 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t 57.39 87.41 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.498 0 C-N-CA 124.421 1.089 . . . . 71.12 111.26 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 123.645 0.778 . . . . 73.11 111.113 -173.127 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 110.172 -0.307 . . . . 55.51 110.172 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.61 142.75 17.14 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 123.224 0.44 . . . . 75.25 112.791 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -102.36 109.91 21.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.437 0.695 . . . . 70.04 109.828 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -159.48 151.97 21.31 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.192 0.597 . . . . 72.42 111.062 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -147.38 132.72 18.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.564 0.746 . . . . 65.01 109.583 172.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -74.03 122.7 23.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.477 0.711 . . . . 62.53 110.405 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.28 90.82 0.7 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.161 0.584 . . . . 75.15 110.374 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -78.07 81.36 4.46 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.435 0.694 . . . . 70.53 110.652 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 p -83.92 101.33 11.61 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.39 0.676 . . . . 64.4 111.405 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.41 102.26 8.34 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.133 0.973 . . . . 75.43 110.115 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -87.85 128.82 35.34 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.328 0.651 . . . . 75.23 110.959 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.39 -141.5 7.69 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 112.211 -0.355 . . . . 71.22 112.211 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.1 -74.38 2.03 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-N 117.201 0.5 . . . . 64.43 113.47 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.11 57.33 4.83 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 122.763 0.221 . . . . 42.13 113.461 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.8 164.28 16.47 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.871 0.868 . . . . 74.43 111.289 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.34 78.55 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 CA-C-O 119.674 -0.515 . . . . 44.22 113.47 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.67 45.49 1.96 Allowed 'Trans proline' 0 CA--C 1.564 2.015 0 C-N-CA 122.794 2.329 . . . . 73.24 114.014 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 117.17 6.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.75 0.82 . . . . 74.31 110.392 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.82 -175.95 4.13 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.828 0.851 . . . . 73.32 110.4 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' HB3' HG23 ' A' ' 52' ' ' VAL . 17.8 pt-20 -93.9 171.06 9.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.743 0.817 . . . . 70.11 112.5 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -141.93 160.81 54.3 Favored Pre-proline 0 CA--C 1.564 1.511 0 C-N-CA 123.528 0.731 . . . . 73.12 111.777 -174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -62.26 150.68 86.08 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 123.232 2.622 . . . . 62.53 114.425 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -94.5 146.38 24.14 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.001 0.92 . . . . 71.1 109.926 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.5 p -132.37 178.14 7.05 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 122.997 0.519 . . . . 42.51 112.311 -170.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt 49.77 -81.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.68 1.592 . . . . 73.43 114.491 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.85 -58.22 0.15 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.657 -1.238 . . . . 72.54 107.657 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 60.42 107.29 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.551 1.54 . . . . 75.25 112.628 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.09 -31.55 70.13 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.47 0.708 . . . . 73.04 111.151 174.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.631 ' HG2' HG22 ' B' ' 52' ' ' VAL . 34.4 mtp -66.5 -46.31 76.67 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.118 -0.946 . . . . 71.05 110.74 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 33' ' ' TYR . 45.2 t30 -63.62 -32.28 73.7 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.709 0.803 . . . . 73.52 111.779 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -62.41 -42.81 99.72 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 122.967 0.507 . . . . 75.22 110.265 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.86 -34.2 71.41 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.147 0.579 . . . . 63.21 111.656 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 30' ' ' ASN . 20.0 m-85 -64.58 -29.94 70.96 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.239 1.016 . . . . 60.22 111.501 176.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 42.4 t -58.15 -54.6 45.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.258 0.623 . . . . 73.21 110.656 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -62.01 -38.51 88.92 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.597 0.759 . . . . 71.43 112.759 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 55' ' ' LEU . 84.2 mt -56.21 -55.72 29.69 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.515 -0.55 . . . . 63.01 109.515 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG3' HG11 ' A' ' 43' ' ' VAL . 27.1 ttp180 -53.7 -31.7 48.99 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.598 1.159 . . . . 64.32 112.674 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' SER . 25.9 mm-40 -75.56 -37.55 59.86 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.055 0.455 . . . . 63.12 110.949 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.79 -12.06 43.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.773 0.829 . . . . 71.54 112.03 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 58' ' ' VAL . 97.4 t -103.31 110.77 64.37 Favored Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 123.609 0.764 . . . . 35.12 112.101 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.84 -17.71 32.45 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 123.215 2.61 . . . . 60.44 113.303 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.35 -27.93 66.33 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 114.047 0.379 . . . . 64.44 114.047 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG11 ' HG3' ' A' ' 37' ' ' ARG . 42.6 t -85.47 114.71 57.98 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 109.039 -0.726 . . . . 74.31 109.039 170.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.14 75.57 4.56 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.286 1.991 . . . . 64.44 113.16 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 59.5 -152.83 0.39 Allowed 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.136 0.975 . . . . 63.11 111.909 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.27 59.52 4.33 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 114.224 0.45 . . . . 74.02 114.224 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -76.22 -13.72 60.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.989 0.915 . . . . 44.44 110.589 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 69.8 87.31 0.12 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.204 1.402 . . . . 64.33 112.115 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 53' ' ' GLU . 88.9 mt -99.79 149.48 23.31 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.239 1.015 . . . . 63.3 109.163 172.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -72.44 -73.85 0.18 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 117.72 0.236 . . . . 61.13 111.448 -171.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.07 -54.23 0.07 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.514 0.561 . . . . 74.42 112.514 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 20' ' ' GLU . 14.3 t -72.75 -34.81 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.667 0.387 . . . . 61.25 111.08 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.9 mm-40 -53.43 -46.49 69.83 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.048 0.939 . . . . 72.41 111.802 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.5 mt -58.26 -54.0 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 O-C-N 123.705 0.628 . . . . 61.02 110.25 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 96.4 mt -51.02 -47.89 61.56 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.156 0.983 . . . . 71.12 113.349 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.72 -42.52 93.29 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.575 0.75 . . . . 71.04 111.595 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -75.43 -23.58 56.98 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.578 0.751 . . . . 60.23 112.304 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' ILE . 88.0 t -68.1 -45.97 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 122.78 0.432 . . . . 74.22 109.857 172.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 32' ' ' CYS . 68.3 mt -55.49 -46.43 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.257 0.623 . . . . 62.42 110.061 172.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.2 -42.97 78.02 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.358 1.063 . . . . 72.31 112.067 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.81 -46.53 87.56 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.237 0.615 . . . . 74.12 111.682 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.1 mt -68.71 -37.03 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 C-N-CA 122.526 0.33 . . . . 32.1 111.21 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.14 -29.38 68.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.425 0.69 . . . . 73.33 111.5 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.21 77.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 122.934 0.494 . . . . 63.53 111.244 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.38 -37.48 25.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.744 0.818 . . . . 75.42 112.138 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.55 -51.94 5.87 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.649 0.78 . . . . 75.22 112.87 -171.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 68' ' ' VAL . 27.1 t -79.67 127.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 122.941 0.497 . . . . 71.1 110.524 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG23 HG12 ' A' ' 67' ' ' VAL . 62.1 t . . . . . 0 CA--C 1.576 1.955 0 C-N-CA 124.886 1.274 . . . . 75.51 112.128 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 110.607 -0.146 . . . . 72.22 110.607 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.86 75.8 1.11 Allowed Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.661 -0.245 . . . . 44.02 112.881 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.59 161.79 17.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.749 0.82 . . . . 75.32 111.092 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -100.88 134.86 43.24 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.959 0.904 . . . . 75.13 110.677 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -80.17 117.31 20.85 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.059 0.457 . . . . 72.54 109.85 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -105.46 151.6 24.05 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.404 0.682 . . . . 70.41 111.958 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 69.27 125.59 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.227 1.411 . . . . 73.15 113.439 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -104.11 117.1 33.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.506 0.723 . . . . 74.22 109.601 168.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 113.61 7.96 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.039 0.535 . . . . 64.23 110.952 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -132.82 176.95 8.02 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.839 0.856 . . . . 73.25 110.699 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.12 112.58 5.15 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 122.882 0.473 . . . . 73.41 110.642 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.56 164.8 10.68 Favored Glycine 0 N--CA 1.475 1.288 0 C-N-CA 122.806 0.241 . . . . 31.52 113.482 177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.98 51.63 6.84 Favored Glycine 0 C--N 1.349 1.287 0 C-N-CA 122.733 0.206 . . . . 70.14 112.847 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.92 96.56 0.32 Allowed Glycine 0 C--N 1.347 1.168 0 C-N-CA 122.87 0.271 . . . . 73.24 112.892 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.61 -178.88 7.0 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.541 0.736 . . . . 74.52 111.23 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.35 64.94 0.43 Allowed Glycine 0 CA--C 1.541 1.694 0 CA-C-O 119.408 -0.662 . . . . 52.12 114.329 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -84.06 175.04 7.85 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.81 2.34 . . . . 73.4 111.996 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.89 84.36 1.71 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.418 0.627 . . . . 73.33 110.25 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.526 ' HB1' ' HG2' ' B' ' 21' ' ' GLU . . . -129.57 131.56 46.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.649 0.78 . . . . 63.03 111.023 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -111.71 41.76 1.85 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.013 0.925 . . . . 73.41 110.308 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.526 ' HG2' ' HB1' ' B' ' 19' ' ' ALA . 6.4 mm-40 -82.44 147.01 55.2 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 114.885 -1.052 . . . . 74.14 110.145 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.06 123.33 12.68 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.731 2.287 . . . . 71.31 112.477 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.36 80.94 2.44 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.687 0.756 . . . . 74.32 111.72 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 61.1 p -160.49 -65.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.486 -1.301 . . . . 71.32 107.486 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.09 120.11 29.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.428 1.091 . . . . 74.23 108.206 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.61 -44.17 14.85 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.82 -0.807 . . . . 75.32 108.82 177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.661 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 61.08 46.87 7.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.217 1.007 . . . . 73.14 112.694 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.09 -41.44 71.57 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.039 0.936 . . . . 71.3 111.564 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ttm -66.24 -41.39 90.09 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.666 1.186 . . . . 63.13 112.282 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 37.0 t-20 -70.78 -29.06 65.16 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.251 0.62 . . . . 61.21 111.257 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.615 0.721 . . . . 71.34 110.509 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 59' ' ' ILE . 75.5 m -69.22 -46.23 67.9 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.867 -1.06 . . . . 64.02 111.735 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.59 -30.74 70.01 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.786 0.835 . . . . 71.35 112.365 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.526 ' HA ' ' HE ' ' B' ' 37' ' ' ARG . 23.2 t -62.65 -52.83 61.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.914 0.486 . . . . 74.05 110.572 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.35 -31.41 72.56 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.868 0.692 . . . . 63.11 112.868 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 40' ' ' VAL . 73.1 mt -58.38 -52.59 64.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 110.172 -0.307 . . . . 41.43 110.172 172.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.526 ' HE ' ' HA ' ' B' ' 34' ' ' SER . 75.8 mtm180 -59.28 -27.23 65.65 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.895 0.878 . . . . 74.22 112.837 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.33 -32.55 20.95 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.489 0.716 . . . . 71.34 111.208 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.4 mt -87.26 -17.79 31.72 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.855 0.862 . . . . 54.04 112.286 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' B' ' 57' ' ' ARG . 58.1 t -93.39 106.64 21.31 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 123.275 0.63 . . . . 73.4 110.399 174.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.25 -10.48 16.3 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.822 2.348 . . . . 75.31 113.182 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.51 25.28 4.52 Favored Glycine 0 CA--C 1.54 1.627 0 N-CA-C 115.114 0.806 . . . . 71.4 115.114 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.03 120.54 70.74 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 123.333 0.653 . . . . 72.04 110.07 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.56 175.01 5.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.764 2.309 . . . . 72.1 113.9 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -88.3 105.94 17.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.229 0.612 . . . . 74.32 111.626 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.97 48.61 5.69 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 116.522 -0.308 . . . . 70.4 112.752 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -104.89 135.3 46.49 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.438 0.695 . . . . 73.44 111.874 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -102.19 91.82 4.47 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.728 0.811 . . . . 64.33 110.57 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.31 122.34 41.36 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.955 0.502 . . . . 65.44 111.204 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -73.42 172.84 10.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.355 0.662 . . . . 64.33 111.198 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.0 -46.43 21.7 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.784 1.234 . . . . 75.05 112.933 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.631 HG22 ' HG2' ' A' ' 29' ' ' MET . 3.4 t -71.63 -40.97 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 115.278 -0.874 . . . . 63.13 110.481 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.17 -26.59 66.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.731 0.812 . . . . 70.21 112.603 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.422 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.3 mt -67.14 -44.89 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.798 0.439 . . . . 71.14 110.155 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 36' ' ' LEU . 93.0 mt -56.73 -48.06 78.61 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.176 0.591 . . . . 75.02 111.019 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -57.44 -44.5 84.78 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.217 1.007 . . . . 75.12 111.368 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.693 ' HG3' HG11 ' B' ' 40' ' ' VAL . 5.3 tpm_? -58.94 -38.18 78.41 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.663 1.185 . . . . 71.42 111.888 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 54' ' ' ILE . 85.0 t -71.81 -39.83 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.803 0.841 . . . . 70.43 111.246 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 55' ' ' LEU . 71.5 mt -62.32 -45.31 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.563 0.345 . . . . 71.33 110.247 175.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -56.89 -43.61 81.5 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.667 0.787 . . . . 55.12 111.61 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.565 ' HB2' HG13 ' B' ' 40' ' ' VAL . 39.1 t80 -57.23 -51.78 67.98 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.044 0.938 . . . . 74.33 111.99 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 69.1 mt -65.47 -46.71 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.554 0.342 . . . . 55.33 110.491 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -30.22 71.31 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.307 0.643 . . . . 64.04 112.161 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.58 -34.48 78.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.138 0.975 . . . . 75.13 110.782 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.78 -39.99 56.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.652 0.781 . . . . 62.13 111.291 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 68.8 mm-40 -72.7 138.22 46.46 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.225 0.61 . . . . 62.43 112.189 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.79 141.75 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.283 0.633 . . . . 73.31 110.117 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 CA--C 1.563 1.476 0 C-N-CA 123.684 0.794 . . . . 62.02 109.973 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.211 0.053 . . . . 70.1 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.69 30.33 7.89 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 112.461 -0.256 . . . . 73.13 112.461 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -87.53 70.41 9.83 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.596 0.758 . . . . 75.14 111.373 -174.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -98.85 53.76 1.0 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.944 0.878 . . . . 53.54 111.033 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -100.76 111.06 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.362 -0.836 . . . . 74.13 111.146 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -76.24 135.16 39.67 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.705 0.802 . . . . 73.22 111.097 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -171.15 155.45 4.38 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.096 0.558 . . . . 64.42 111.526 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -158.86 147.12 18.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.421 1.088 . . . . 65.52 109.891 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -130.59 150.28 51.86 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.322 0.649 . . . . 61.21 111.791 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -142.82 -54.73 0.41 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.119 0.967 . . . . 63.43 109.927 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.6 mmt 64.36 -76.06 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.547 1.539 . . . . 74.13 112.205 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.58 107.24 0.45 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 112.608 -0.197 . . . . 72.03 112.608 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.96 -85.71 0.12 Allowed Glycine 0 C--N 1.342 0.907 0 N-CA-C 111.985 -0.446 . . . . 45.24 111.985 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.789 ' HA2' ' HB ' ' B' ' 43' ' ' VAL . . . 67.08 -149.19 51.02 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 120.068 -0.296 . . . . 62.54 113.603 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp 68.19 129.15 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.329 1.452 . . . . 61.44 113.212 172.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.55 -173.06 27.52 Favored Glycine 0 CA--C 1.541 1.698 0 O-C-N 121.971 -0.456 . . . . 44.3 113.783 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -86.82 -150.45 0.04 OUTLIER 'Trans proline' 0 CA--C 1.56 1.814 0 C-N-CA 123.627 2.885 . . . . 73.43 113.048 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.33 -58.89 2.74 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.257 0.623 . . . . 74.12 110.408 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.649 ' HB3' HH22 ' B' ' 37' ' ' ARG . . . 57.36 92.78 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.668 1.587 . . . . 74.2 113.812 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.0 174.13 8.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.79 -1.095 . . . . 73.13 110.767 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.36 160.26 16.12 Favored Pre-proline 0 N--CA 1.489 1.522 0 C-N-CA 122.527 0.331 . . . . 73.43 111.842 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.48 112.26 3.16 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.604 2.203 . . . . 74.23 112.192 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD22 ' SD ' ' A' ' 29' ' ' MET . 69.5 mt -86.1 -2.17 58.08 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.687 0.795 . . . . 62.42 112.222 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -78.93 75.06 5.44 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.86 0.864 . . . . 62.12 112.126 -176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.5 mt -134.58 -72.85 0.48 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.379 1.072 . . . . 70.43 109.251 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -153.66 -174.81 5.09 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.057 1.343 . . . . 63.32 107.495 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 1.3 m-20 -72.94 43.68 0.12 Allowed 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.925 0.89 . . . . 74.41 113.15 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.45 -39.09 86.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.713 0.805 . . . . 72.4 111.763 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' B' ' 52' ' ' VAL . 29.1 mtp -64.76 -43.29 93.78 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.332 -0.395 . . . . 64.14 111.243 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 27.6 t-20 -67.57 -30.29 69.87 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.54 0.736 . . . . 74.15 111.314 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.37 -40.02 81.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.518 0.727 . . . . 62.52 110.574 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.2 m -68.12 -39.39 82.76 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.113 -0.494 . . . . 73.4 111.101 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.71 -38.49 73.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.05 0.94 . . . . 73.53 112.357 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.0 p -64.29 -40.73 96.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.981 0.513 . . . . 71.13 110.123 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' HD13 ' B' ' 59' ' ' ILE . 64.8 ttt180 -64.83 -40.29 94.94 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.385 -0.825 . . . . 65.54 111.739 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.3 mt -61.55 -42.8 99.36 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.874 0.47 . . . . 73.24 111.41 174.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 54' ' ' ILE . 92.9 mtt180 -55.4 -28.36 53.61 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.541 0.736 . . . . 73.05 112.017 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.96 -32.59 20.02 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.959 0.903 . . . . 71.11 110.583 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HB3' HG21 ' B' ' 62' ' ' ILE . 82.1 mt -85.71 -9.41 57.21 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.592 0.757 . . . . 65.15 112.966 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 36' ' ' LEU . 42.0 t -102.27 101.53 19.92 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 123.047 0.539 . . . . 73.2 110.348 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.81 -31.36 25.34 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.402 2.734 . . . . 72.15 113.729 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.96 66.3 3.8 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 121.37 0.428 . . . . 53.32 113.677 -175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.67 130.87 21.84 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.348 1.059 . . . . 72.1 109.924 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.8 118.54 5.52 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.443 2.096 . . . . 74.24 110.828 167.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -71.41 105.43 3.54 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.131 0.573 . . . . 73.13 110.804 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.74 35.68 1.83 Allowed Glycine 0 N--CA 1.477 1.429 0 CA-C-N 116.514 -0.312 . . . . 75.43 113.455 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 48' ' ' GLN . 20.7 m -104.73 -129.48 0.26 Allowed 'General case' 0 CA--C 1.569 1.696 0 C-N-CA 123.427 0.691 . . . . 75.15 109.164 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.418 ' H ' HG22 ' A' ' 47' ' ' THR . 96.8 mt-30 -130.43 -78.8 0.54 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 120.066 1.303 . . . . 75.31 110.561 -174.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 53' ' ' GLU . 18.2 mt 51.7 67.39 0.97 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.217 1.007 . . . . 73.24 112.268 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -78.11 -68.07 0.67 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.44 -176.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -127.28 -78.51 0.58 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.108 0.563 . . . . 55.24 111.083 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.4 t -73.86 -34.06 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 123.817 0.847 . . . . 72.35 111.82 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 49' ' ' LEU . 27.3 mt-10 -52.0 -37.96 55.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.503 1.121 . . . . 74.51 111.884 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.509 HD11 ' HE ' ' A' ' 37' ' ' ARG . 79.9 mt -62.94 -55.14 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.749 0.82 . . . . 73.32 110.519 173.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.9 -48.46 51.59 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.124 0.97 . . . . 75.42 112.719 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.7 -44.08 93.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.959 0.904 . . . . 72.14 112.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -74.5 -24.9 59.07 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.889 0.7 . . . . 73.45 112.889 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' B' ' 58' ' ' VAL . 77.2 t -70.96 -43.07 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.571 0.348 . . . . 62.33 110.464 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.93 -48.02 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.163 0.585 . . . . 70.41 110.271 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.21 -37.6 75.13 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.184 0.994 . . . . 74.44 112.019 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.01 -52.75 61.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.273 1.029 . . . . 74.14 111.359 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.56 -43.43 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 123.016 0.526 . . . . 74.54 111.342 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.64 -35.81 77.12 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.673 0.789 . . . . 63.2 112.51 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.04 -35.83 82.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.757 0.423 . . . . 65.2 111.06 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.11 -40.54 62.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.446 0.699 . . . . 73.54 111.506 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.04 177.64 8.79 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.192 0.997 . . . . 61.15 111.751 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.8 t -95.6 115.21 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 122.864 0.466 . . . . 61.12 110.808 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 CA--C 1.565 1.54 0 C-N-CA 123.861 0.865 . . . . 72.41 110.545 177.521 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 mmt . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 111.81 0.3 . . . . 62.04 111.81 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.27 -101.6 1.16 Allowed Glycine 0 CA--C 1.536 1.387 0 N-CA-C 112.407 -0.277 . . . . 74.22 112.407 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -170.48 -47.39 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.942 0.897 . . . . 75.11 109.511 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.54 -177.26 3.87 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.822 0.849 . . . . 65.23 112.102 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -90.26 29.58 1.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.388 1.075 . . . . 74.13 111.231 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.22 172.08 10.88 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.109 0.963 . . . . 74.34 112.983 -173.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -88.79 21.11 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.685 0.994 . . . . 72.25 113.685 -161.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.94 73.1 7.97 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.5 0.72 . . . . 72.1 112.036 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 m -92.99 121.26 34.14 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 73.42 110.624 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -133.23 159.23 40.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.62 0.768 . . . . 73.34 111.502 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 17.6 mmt -96.58 101.5 13.12 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.716 0.806 . . . . 64.42 109.752 172.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.71 -144.57 4.06 Favored Glycine 0 N--CA 1.481 1.642 0 N-CA-C 113.733 0.253 . . . . 42.24 113.733 -176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.15 -103.61 1.19 Allowed Glycine 0 CA--C 1.537 1.44 0 C-N-CA 122.896 0.284 . . . . 64.51 113.037 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.64 119.41 0.51 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 112.724 -0.15 . . . . 64.2 112.724 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -115.59 -27.44 7.12 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.62 0.768 . . . . 75.23 111.938 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.39 77.18 0.88 Allowed Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.388 -0.673 . . . . 63.05 113.128 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.95 89.06 0.18 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.194 2.596 . . . . 73.0 113.734 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.87 162.75 13.1 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.065 0.946 . . . . 63.51 111.336 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.61 174.28 12.3 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.332 0.653 . . . . 24.24 112.088 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.15 111.9 1.51 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.897 0.879 . . . . 74.02 111.216 176.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -126.44 144.1 48.33 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 123.613 0.765 . . . . 72.43 111.801 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.96 119.14 6.1 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.223 2.616 . . . . 71.52 113.091 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.16 -17.43 63.82 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 113.244 0.831 . . . . 72.31 113.244 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.9 m -70.09 86.68 0.56 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.107 0.563 . . . . 72.3 110.748 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -92.18 154.63 18.55 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.334 0.654 . . . . 74.14 112.288 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.81 16.17 16.31 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.8 0.84 . . . . 54.25 109.756 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 7.9 m-20 56.49 32.19 20.29 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.356 1.062 . . . . 73.24 112.334 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.15 -39.26 78.32 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 122.964 0.506 . . . . 73.23 111.563 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.547 ' HG2' HG22 ' A' ' 52' ' ' VAL . 60.1 mtp -67.29 -39.84 86.01 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.9 0.48 . . . . 60.44 111.294 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 54.4 t-20 -62.19 -48.68 78.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.463 1.105 . . . . 73.43 110.985 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -61.03 -37.99 84.54 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.161 0.584 . . . . 32.1 111.563 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.31 -43.83 89.79 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.728 -0.669 . . . . 65.43 111.904 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' TYR . . . . . 0.411 ' O ' ' HG3' ' B' ' 37' ' ' ARG . 12.2 m-85 -66.54 -37.06 84.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.377 0.671 . . . . 74.35 111.923 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -61.75 -42.82 99.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.47 0.708 . . . . 62.15 110.808 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 52.4 mtp85 -68.17 -38.24 81.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.672 0.789 . . . . 74.4 112.734 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 40' ' ' VAL . 86.7 mt -58.12 -47.28 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.59 0.356 . . . . 41.33 111.055 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.649 HH22 ' HB3' ' A' ' 19' ' ' ALA . 86.5 mtt-85 -55.97 -31.48 63.04 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.54 0.736 . . . . 72.14 112.655 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.3 -39.91 38.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.376 0.671 . . . . 72.54 110.85 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 35' ' ' ARG . 73.7 mt -79.93 -23.62 41.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.64 -0.709 . . . . 63.04 112.832 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 19.4 t -97.26 107.32 37.67 Favored Pre-proline 0 N--CA 1.484 1.239 0 C-N-CA 122.877 0.471 . . . . 72.43 110.807 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.92 -7.43 18.31 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 123.063 2.508 . . . . 71.44 112.689 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -14.69 64.85 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.201 0.841 . . . . 74.23 115.201 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.789 ' HB ' ' HA2' ' A' ' 14' ' ' GLY . 50.2 t -75.58 116.99 60.11 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.791 0.795 . . . . 54.25 110.42 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.85 119.24 6.29 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.409 2.072 . . . . 61.41 111.95 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -55.32 104.49 0.13 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.572 0.749 . . . . 74.45 111.438 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.82 -34.91 1.65 Allowed Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 34.01 111.987 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -84.52 144.24 28.82 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.572 0.349 . . . . 70.31 110.63 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.55 -57.84 2.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.546 0.339 . . . . 64.34 111.062 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt 67.79 132.13 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 124.941 1.297 . . . . 75.1 111.921 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.7 p -100.5 -175.03 2.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.964 -0.46 . . . . 63.31 111.855 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -44.29 -52.4 7.58 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.786 1.773 . . . . 75.33 115.786 -162.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 29' ' ' MET . 10.7 t -72.3 -37.93 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.37 -31.02 71.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.165 0.586 . . . . 74.41 111.793 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.526 HD11 ' NH2' ' B' ' 37' ' ' ARG . 92.0 mt -58.95 -52.38 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.192 0.597 . . . . 74.25 109.89 170.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.17 -46.77 82.5 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.36 0.664 . . . . 72.44 111.939 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.76 -40.07 86.94 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.889 0.876 . . . . 53.32 112.104 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.47 -37.83 77.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.751 0.82 . . . . 74.24 111.383 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' A' ' 58' ' ' VAL . 82.5 t -66.47 -45.7 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.541 0.736 . . . . 75.12 111.089 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 89.1 mt -55.15 -49.49 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.046 0.538 . . . . 75.22 110.295 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.87 -39.5 85.46 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.587 0.755 . . . . 53.31 112.216 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -45.9 83.56 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.843 0.857 . . . . 75.34 111.069 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 39' ' ' LEU . 55.4 mt -70.71 -37.85 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.13 0.572 . . . . 65.32 111.262 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 87.3 mt -63.27 -35.28 79.84 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.414 0.686 . . . . 74.33 111.62 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.31 -41.96 98.97 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.161 0.584 . . . . 65.35 110.962 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.11 -33.53 74.68 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.218 0.607 . . . . 63.13 112.143 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.04 -60.97 2.04 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 112.932 0.716 . . . . 65.11 112.932 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -87.87 10.55 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 122.517 1.151 . . . . 70.15 112.994 -165.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 CA--C 1.565 1.545 0 C-N-CA 124.331 1.052 . . . . 54.0 109.265 172.085 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 109.341 -0.615 . . . . 74.53 109.341 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.78 -82.31 0.28 Allowed Glycine 0 C--N 1.349 1.289 0 O-C-N 123.357 0.411 . . . . 71.43 112.659 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -166.89 170.8 11.87 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.994 0.518 . . . . 75.24 111.621 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -125.53 17.26 8.19 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.457 1.103 . . . . 73.14 110.311 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -87.73 32.47 0.73 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.807 0.843 . . . . 74.01 111.414 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -69.44 -47.68 63.29 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.717 0.807 . . . . 73.31 111.024 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -110.94 146.13 37.13 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.703 1.201 . . . . 55.44 110.601 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -135.16 102.32 5.15 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.364 0.666 . . . . 72.34 110.796 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.0 p -93.64 154.65 17.72 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.293 0.637 . . . . 54.5 110.857 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -89.0 97.39 11.17 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.6 0.36 . . . . 75.44 110.212 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ttt -82.08 126.16 31.69 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.596 0.358 . . . . 63.13 110.207 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.64 157.31 16.6 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 116.519 -0.309 . . . . 63.11 113.149 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.98 165.08 20.58 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 112.321 -0.312 . . . . 75.42 112.321 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.37 -119.61 4.54 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 112.106 -0.398 . . . . 72.14 112.106 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' H ' ' HA ' ' B' ' 45' ' ' ARG . 21.2 ptmt -153.9 125.98 7.86 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.486 0.715 . . . . 62.42 110.154 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.73 118.44 5.48 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-O 118.966 -0.908 . . . . 42.34 112.676 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.53 -176.14 3.1 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.991 2.461 . . . . 73.44 113.237 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 140.22 42.83 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.172 0.589 . . . . 64.42 111.011 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.87 154.02 18.69 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.729 0.812 . . . . 64.34 112.648 -174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.59 65.8 5.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 122.667 1.222 . . . . 73.23 109.511 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.91 147.81 97.86 Favored Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 114.077 -1.419 . . . . 74.02 112.782 -169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.78 147.44 50.38 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.551 2.168 . . . . 63.43 111.111 168.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.5 60.52 5.7 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 121.734 0.778 . . . . 74.5 111.595 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 p -85.63 86.02 7.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.763 0.825 . . . . 71.13 110.309 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.34 103.32 7.21 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.702 -0.681 . . . . 73.41 111.709 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 27' ' ' ASP . 6.2 tt -145.19 151.29 38.2 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.153 -1.054 . . . . 72.41 108.153 174.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' HD23 ' A' ' 26' ' ' LEU . 7.5 p-10 -77.6 32.11 0.16 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 114.041 1.126 . . . . 74.31 114.041 -172.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.48 -33.1 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.037 0.935 . . . . 61.23 111.893 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.572 ' HG2' HG22 ' B' ' 52' ' ' VAL . 25.3 mtp -60.68 -37.41 81.5 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.647 0.779 . . . . 63.43 111.606 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.82 -41.86 95.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.037 0.935 . . . . 54.44 111.296 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.5 -37.23 82.53 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.495 0.718 . . . . 63.02 111.104 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.62 -50.22 70.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.192 0.597 . . . . 53.21 110.957 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -62.43 -36.61 82.93 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.2 1.0 . . . . 72.24 112.749 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 t -60.92 -48.21 82.86 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.013 0.525 . . . . 61.25 111.307 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.427 HH21 HG21 ' B' ' 59' ' ' ILE . 30.2 ttp180 -74.93 -24.75 58.54 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.979 0.511 . . . . 72.35 112.192 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.0 mt -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 120.747 0.308 . . . . 71.14 110.334 169.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -59.33 -18.59 39.37 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.965 0.906 . . . . 74.51 112.886 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.22 -29.13 14.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.993 0.917 . . . . 72.21 111.428 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 82.2 mt -83.3 -27.1 30.03 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.903 0.881 . . . . 71.15 112.608 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 57' ' ' ARG . 44.6 t -87.8 109.4 26.76 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.308 0.643 . . . . 73.15 109.733 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.05 -24.62 52.23 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.927 2.418 . . . . 73.33 113.354 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.65 44.75 3.4 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 114.528 0.571 . . . . 62.11 114.528 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -96.02 110.36 51.49 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 123.289 0.635 . . . . 75.02 109.423 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.09 130.83 26.75 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.534 2.156 . . . . 73.23 111.968 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -60.79 131.4 50.58 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.285 0.634 . . . . 72.11 112.067 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.42 -3.27 63.52 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.104 0.802 . . . . 74.31 115.104 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.2 m -90.5 109.65 20.79 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 117.823 0.811 . . . . 65.32 110.541 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.46 104.82 2.86 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 121.533 0.682 . . . . 72.0 110.895 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.61 114.76 19.73 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.772 -0.649 . . . . 75.54 110.82 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.492 ' HB2' ' HG2' ' A' ' 53' ' ' GLU . 19.7 m -66.11 165.35 13.73 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.459 0.704 . . . . 62.15 110.784 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -38.16 69.08 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.296 0.638 . . . . 73.3 112.354 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.5 t -72.34 -38.74 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.125 0.57 . . . . 61.01 111.123 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 50' ' ' SER . 23.9 mm-40 -65.85 -34.85 79.1 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.358 0.663 . . . . 74.02 111.92 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.34 -44.44 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.304 0.642 . . . . 73.33 110.273 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD22 HD11 ' B' ' 36' ' ' LEU . 89.3 mt -56.34 -48.18 77.29 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.265 0.626 . . . . 74.55 111.202 174.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.105 0.962 . . . . 65.32 112.561 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 mmp_? -67.77 -38.42 83.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.491 0.716 . . . . 75.32 111.779 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' B' ' 58' ' ' VAL . 75.0 t -69.2 -45.02 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.407 0.683 . . . . 74.31 111.508 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.51 -48.73 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.296 0.639 . . . . 74.32 110.65 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.99 -31.87 72.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.244 0.617 . . . . 71.32 111.567 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.0 -48.82 77.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.582 0.753 . . . . 55.31 110.979 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' B' ' 39' ' ' LEU . 57.6 mt -71.72 -44.9 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.482 0.713 . . . . 74.22 111.117 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.59 -29.53 70.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.888 0.875 . . . . 72.33 112.423 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.25 -42.23 96.59 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.547 0.739 . . . . 61.24 110.783 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.48 -33.41 64.82 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.748 0.819 . . . . 74.23 111.733 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -79.12 144.14 34.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.502 0.721 . . . . 64.11 110.918 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.22 113.57 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.159 0.584 . . . . 74.02 110.228 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.577 2.005 0 C-N-CA 125.029 1.332 . . . . 37.36 112.316 178.814 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 110.639 -0.134 . . . . 51.31 110.639 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.96 151.01 38.37 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.264 0.353 . . . . 62.03 113.118 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.61 118.01 20.32 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.209 0.604 . . . . 75.31 110.781 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.59 117.71 10.68 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.259 1.024 . . . . 74.23 112.598 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -95.19 -29.09 14.72 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.269 0.627 . . . . 73.15 109.592 168.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -94.07 159.61 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.314 1.046 . . . . 75.21 110.751 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -154.57 142.88 20.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.349 0.66 . . . . 61.2 110.343 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -154.18 145.86 23.3 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.74 0.816 . . . . 70.14 110.026 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -137.65 153.41 49.85 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.565 0.746 . . . . 73.01 110.778 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.94 135.53 41.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.867 0.867 . . . . 71.03 110.656 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 97.0 mmm -78.34 152.21 32.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.372 0.669 . . . . 71.13 112.361 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.25 128.3 9.79 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 115.958 -0.564 . . . . 62.23 112.261 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.43 144.14 7.56 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 117.479 0.64 . . . . 64.43 113.101 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.18 178.83 31.62 Favored Glycine 0 N--CA 1.476 1.347 0 C-N-CA 123.409 0.528 . . . . 62.32 112.503 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -63.15 1.29 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.237 0.518 . . . . 63.31 111.747 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.96 -155.85 14.49 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-O 119.86 -0.411 . . . . 62.31 113.842 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.87 169.41 13.26 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 123.193 2.595 . . . . 64.44 112.736 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.81 173.65 7.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.192 0.597 . . . . 64.41 111.801 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.2 24.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.451 0.7 . . . . 31.23 111.352 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.9 112.99 26.27 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.798 0.839 . . . . 64.53 110.347 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 142.06 85.47 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.361 0.664 . . . . 53.35 111.416 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.38 154.23 42.56 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.099 2.533 . . . . 74.5 114.546 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt 67.1 6.53 4.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 125.524 1.53 . . . . 63.23 113.667 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -109.65 95.17 5.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.824 0.85 . . . . 73.04 111.696 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 27' ' ' ASP . 4.5 tt -166.88 117.21 0.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.461 0.704 . . . . 71.12 109.355 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.65 33.18 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.446 0.699 . . . . 71.43 110.219 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.402 ' H ' HD23 ' B' ' 25' ' ' LEU . 14.0 m-20 57.37 28.44 15.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.581 1.152 . . . . 74.21 113.558 172.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.12 -35.77 69.86 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.262 0.625 . . . . 74.42 111.421 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ttm -56.64 -44.94 81.76 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.967 0.907 . . . . 73.03 112.148 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -66.26 -38.16 87.2 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.08 0.552 . . . . 73.31 110.968 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.76 -33.11 73.35 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.147 0.579 . . . . 71.12 111.907 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 95.0 m -70.53 -41.96 71.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.308 0.643 . . . . 54.55 111.467 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -62.31 -35.19 78.29 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.672 0.789 . . . . 63.2 111.654 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.2 t -59.72 -42.75 93.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.574 0.749 . . . . 74.34 111.066 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.25 -29.11 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.052 -0.522 . . . . 73.41 112.292 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.3 mt -60.17 -45.74 92.07 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 62.24 110.123 170.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -58.24 -24.27 58.73 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.96 0.904 . . . . 71.13 113.041 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.09 -31.41 16.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.369 0.667 . . . . 75.44 111.403 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.476 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.0 mt -87.68 -15.48 37.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.848 0.859 . . . . 73.04 113.298 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 36' ' ' LEU . 20.3 t -100.03 103.85 25.22 Favored Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 122.792 0.437 . . . . 74.51 110.509 176.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.01 -11.14 15.09 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.943 2.429 . . . . 73.51 112.936 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.09 41.99 3.13 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 123.079 0.371 . . . . 43.31 113.129 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.53 110.73 52.54 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.976 0.91 . . . . 74.44 109.132 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.454 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 45.0 Cg_exo -59.06 155.98 36.5 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.983 2.456 . . . . 74.42 113.924 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 15' ' ' LYS . 15.2 ttm180 -65.69 125.31 24.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.332 0.653 . . . . 74.4 111.004 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.73 31.45 64.08 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 114.678 0.631 . . . . 71.21 114.678 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' B' ' 44' ' ' PRO . 8.8 t -70.79 -20.11 62.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.854 0.687 . . . . 71.42 112.854 -176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.402 1.081 . . . . 71.41 111.422 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' B' ' 53' ' ' GLU . 86.4 mt -123.5 161.62 24.51 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.271 1.034 . . . . 60.31 113.513 -172.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.549 ' H ' ' HB2' ' B' ' 53' ' ' GLU . 25.0 t -116.76 173.57 6.56 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.937 1.695 . . . . 62.43 109.327 170.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.99 -40.69 67.17 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.546 0.738 . . . . 74.34 112.016 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.585 HG12 HE21 ' B' ' 56' ' ' GLN . 18.2 t -67.0 -45.5 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.256 0.623 . . . . 60.24 110.51 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 50' ' ' SER . 19.3 mm-40 -60.89 -34.1 74.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.031 . . . . 72.42 112.091 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.4 ' O ' HG23 ' B' ' 58' ' ' VAL . 91.2 mt -61.29 -53.15 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.101 0.561 . . . . 71.34 109.578 173.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.424 ' O ' HG13 ' B' ' 59' ' ' ILE . 95.6 mt -53.85 -41.1 67.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.623 0.769 . . . . 72.53 111.857 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.585 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -63.33 -52.04 63.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.61 0.764 . . . . 75.12 111.601 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -30.75 69.55 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 123.341 0.656 . . . . 43.14 111.757 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' A' ' 58' ' ' VAL . 56.0 t -65.99 -48.18 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.485 0.714 . . . . 63.24 110.678 173.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.427 HG21 HH21 ' A' ' 35' ' ' ARG . 86.8 mt -57.47 -47.79 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.972 0.509 . . . . 72.22 110.38 176.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.14 -44.4 79.2 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.018 0.927 . . . . 72.53 111.983 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -59.2 -48.49 81.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.092 0.957 . . . . 75.31 111.8 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 63.1 mt -68.97 -28.51 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 123.218 0.607 . . . . 52.53 111.371 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 77.9 mt -64.15 -30.38 71.44 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.83 0.678 . . . . 54.32 112.83 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.51 -32.43 62.5 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.265 0.626 . . . . 52.31 111.863 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.4 mt -74.18 -35.79 64.02 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.415 0.686 . . . . 74.32 111.51 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -100.18 -177.65 3.59 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.822 1.249 . . . . 75.12 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.93 103.91 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 108.533 -0.914 . . . . 71.32 108.533 167.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.843 0.857 . . . . 72.02 112.866 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.268 0.08 . . . . 75.2 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.36 -0.49 89.65 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 114.366 0.506 . . . . 63.41 114.366 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -91.43 134.55 34.53 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.546 0.738 . . . . 72.2 110.775 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -77.09 -37.63 54.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.028 0.931 . . . . 73.42 112.517 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.16 35.67 18.42 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.538 1.135 . . . . 74.33 113.041 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.55 34.98 0.44 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.844 0.858 . . . . 71.03 113.126 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.87 138.39 31.59 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.511 0.724 . . . . 73.22 110.583 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -144.46 126.53 15.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.02 0.928 . . . . 75.53 110.139 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.3 m -144.97 176.88 9.16 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.506 0.723 . . . . 52.31 110.576 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -114.74 118.85 34.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.043 0.537 . . . . 74.52 110.452 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 ptp -86.22 171.32 11.37 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 122.764 0.426 . . . . 73.1 110.811 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.26 163.02 36.26 Favored Glycine 0 N--CA 1.472 1.078 0 CA-C-N 116.619 -0.264 . . . . 52.14 112.913 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.6 127.63 5.6 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 116.637 0.219 . . . . 75.12 112.8 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.72 92.24 0.77 Allowed Glycine 0 N--CA 1.473 1.16 0 N-CA-C 112.057 -0.417 . . . . 72.32 112.057 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -79.07 139.43 38.11 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.489 0.552 . . . . 72.11 112.489 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.76 90.29 0.57 Allowed Glycine 0 CA--C 1.535 1.316 0 N-CA-C 110.515 -1.034 . . . . 51.15 110.515 169.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.27 161.01 39.5 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.851 2.368 . . . . 73.45 113.785 -173.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.33 120.33 16.74 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.595 0.758 . . . . 75.5 111.202 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 98.27 1.36 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.069 0.548 . . . . 74.35 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 69.22 93.86 0.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.416 1.486 . . . . 72.33 110.667 -175.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.33 140.03 91.73 Favored Pre-proline 0 N--CA 1.493 1.688 0 C-N-CA 123.425 0.69 . . . . 74.15 112.413 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD3' ' HE1' ' B' ' 5' ' ' HIS . 65.3 Cg_endo -82.24 173.99 10.34 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.788 2.325 . . . . 75.35 114.316 -170.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.05 150.53 23.14 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.646 0.778 . . . . 63.25 111.264 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 p -147.14 -59.2 0.28 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.222 1.009 . . . . 64.23 110.262 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -117.47 -78.74 0.58 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.833 0.853 . . . . 71.2 108.98 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -131.45 -28.56 1.85 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.211 1.004 . . . . 64.34 110.026 169.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.75 91.44 0.06 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.078 1.351 . . . . 72.4 110.088 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.46 -38.64 71.96 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.795 1.238 . . . . 75.24 112.812 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' HG22 ' B' ' 52' ' ' VAL . 4.7 ttm -64.82 -46.92 79.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.361 0.665 . . . . 71.45 111.805 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -63.45 -34.6 78.11 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 123.716 0.806 . . . . 73.21 111.037 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.23 -36.77 77.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.049 0.939 . . . . 74.34 110.974 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.18 -39.0 82.65 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.918 -0.583 . . . . 73.2 111.242 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' HD1' HG21 ' A' ' 54' ' ' ILE . 20.6 m-85 -62.82 -35.33 79.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.773 0.829 . . . . 72.1 111.58 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.4 t -60.51 -46.81 88.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.301 0.64 . . . . 72.12 110.778 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.13 -37.63 87.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.713 0.805 . . . . 71.33 112.924 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 HD22 ' B' ' 55' ' ' LEU . 91.9 mt -59.18 -49.03 79.41 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.903 -0.406 . . . . 74.14 109.903 175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' HE ' HD12 ' A' ' 49' ' ' LEU . 63.7 mtp180 -63.43 -18.62 63.93 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 113.406 0.891 . . . . 74.54 113.406 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' SER . 53.8 mm-40 -85.17 -43.83 13.48 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.262 0.553 . . . . 72.44 110.676 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD21 HD23 ' B' ' 63' ' ' LEU . 83.6 mt -75.38 -24.04 57.18 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.043 0.937 . . . . 75.12 112.542 -175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' HG2' ' A' ' 57' ' ' ARG . 44.0 t -93.24 105.94 17.75 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 123.373 0.669 . . . . 71.03 110.223 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -84.01 3.52 7.56 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.03 2.487 . . . . 75.34 113.141 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.17 32.98 4.18 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.123 0.392 . . . . 62.33 113.962 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.15 110.91 32.29 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.715 0.806 . . . . 72.05 109.634 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.75 79.35 1.94 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 123.012 2.475 . . . . 73.41 114.892 -168.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? 53.35 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.411 1.484 . . . . 71.42 112.888 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -107.81 2.26 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-O 119.357 -0.691 . . . . 73.54 111.516 -173.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m 65.48 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.024 1.329 . . . . 34.4 113.065 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.41 -46.37 83.55 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.099 -0.376 . . . . 74.2 111.2 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' HE ' ' A' ' 37' ' ' ARG . 95.6 mt 64.65 112.58 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.996 1.318 . . . . 75.33 110.665 -168.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -62.1 150.8 37.39 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 110.329 -0.248 . . . . 74.21 110.329 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -56.2 -35.11 66.91 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.33 1.052 . . . . 74.21 112.159 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' B' ' 29' ' ' MET . 19.4 t -73.38 -47.0 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.094 0.557 . . . . 63.04 110.853 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -54.31 -30.26 50.54 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.423 1.089 . . . . 73.35 112.68 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.0 mt -61.42 -55.95 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 122.827 0.451 . . . . 62.22 109.939 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 36' ' ' LEU . 96.1 mt -56.08 -45.59 79.3 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.61 0.764 . . . . 74.24 112.207 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.83 -35.37 80.49 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.986 0.914 . . . . 64.22 111.662 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG2' HG11 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -73.54 -30.91 63.37 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.243 0.617 . . . . 54.4 111.049 176.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.2 t -70.66 -44.14 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.281 0.633 . . . . 74.12 110.52 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 83.7 mt -58.51 -50.18 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 122.835 0.454 . . . . 65.51 109.957 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -47.28 43.95 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.95 1.3 . . . . 75.34 111.431 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.25 -42.28 96.59 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.457 1.103 . . . . 70.43 112.339 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 66.8 mt -71.73 -26.94 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 122.686 0.394 . . . . 70.12 110.691 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.2 mt -67.53 -33.47 75.13 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.032 0.533 . . . . 74.14 110.747 171.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.91 -38.81 83.4 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.631 0.772 . . . . 74.32 110.861 172.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.62 -46.27 79.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.279 0.632 . . . . 74.23 111.127 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -85.15 173.49 10.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.387 1.075 . . . . 63.2 111.865 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.63 98.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.282 0.633 . . . . 72.02 109.551 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 CA--C 1.58 2.135 0 C-N-CA 125.314 1.446 . . . . 65.11 112.46 179.522 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.65 0.262 . . . . 65.24 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.07 128.17 8.35 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 116.096 -0.502 . . . . 72.34 112.284 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -67.51 -61.04 2.09 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.476 0.71 . . . . 64.35 111.231 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -155.06 161.29 41.36 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.379 0.672 . . . . 74.5 109.885 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.475 ' HE1' ' HD3' ' A' ' 22' ' ' PRO . 54.9 m80 69.28 157.76 0.16 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.212 1.405 . . . . 73.42 112.494 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.6 65.58 6.98 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.097 0.559 . . . . 73.4 110.158 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 62.03 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.178 1.391 . . . . 73.24 111.755 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -121.44 -27.78 4.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.089 0.955 . . . . 73.43 110.889 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t 75.72 -49.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 126.096 1.758 . . . . 75.12 112.645 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 73.51 143.42 0.07 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.119 1.767 . . . . 74.23 112.507 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.1 ptp -124.32 -167.23 1.62 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.307 1.043 . . . . 64.21 109.397 175.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.09 47.29 3.54 Favored Glycine 0 CA--C 1.541 1.704 0 CA-C-N 117.724 0.238 . . . . 62.33 113.178 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.51 -171.69 46.49 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 114.501 0.56 . . . . 71.01 114.501 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.98 59.3 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.51 -0.636 . . . . 63.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -72.49 97.0 2.01 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.695 0.798 . . . . 75.3 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.91 69.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 115.721 -0.672 . . . . 25.12 112.914 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -83.9 158.33 13.74 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.492 2.128 . . . . 72.11 112.347 170.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.83 -18.34 35.24 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.989 0.515 . . . . 52.41 111.215 172.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 71.99 153.82 0.13 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.257 1.423 . . . . 71.44 112.928 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 59.98 22.85 11.95 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.911 1.284 . . . . 75.32 112.097 -173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.15 154.89 67.16 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 124.546 1.138 . . . . 54.21 111.633 -175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -65.4 162.12 35.07 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.475 2.117 . . . . 65.43 112.912 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.25 106.36 1.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.598 0.759 . . . . 74.13 112.254 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -158.97 -174.04 4.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.944 0.898 . . . . 73.11 109.93 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.36 152.79 23.12 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.279 0.631 . . . . 61.04 110.033 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -75.68 105.81 6.91 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.747 0.647 . . . . 74.14 112.747 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' B' ' 30' ' ' ASN . 18.8 m-20 -103.91 132.29 50.31 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.829 -1.174 . . . . 74.21 107.829 160.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.31 -35.06 67.12 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 121.669 0.747 . . . . 63.41 109.887 165.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.5 mtp -67.14 -31.28 71.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.461 1.104 . . . . 64.04 112.02 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 8.8 t30 -63.77 -35.67 81.36 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.961 0.904 . . . . 75.11 111.352 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -64.04 -31.99 73.38 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.316 0.646 . . . . 73.13 111.454 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -73.82 -46.28 46.22 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.226 0.61 . . . . 74.03 111.001 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.01 -30.41 67.98 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.282 1.033 . . . . 72.13 112.289 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -59.15 -54.73 43.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.512 0.725 . . . . 54.54 110.978 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.2 -24.55 63.14 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.102 0.778 . . . . 74.14 113.102 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.529 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.8 mt -60.98 -53.13 61.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.567 -0.531 . . . . 53.04 109.567 168.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.62 -24.28 65.38 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.582 0.753 . . . . 73.04 112.906 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -86.7 -22.57 25.98 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.873 0.469 . . . . 62.14 111.893 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.5 8.31 31.35 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.041 0.756 . . . . 73.2 113.041 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.725 HG11 ' HB3' ' B' ' 57' ' ' ARG . 36.9 t -114.43 112.12 46.33 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.799 -0.563 . . . . 75.03 111.742 175.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.55 -11.91 9.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.158 2.572 . . . . 55.52 113.962 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.14 55.42 4.57 Favored Glycine 0 N--CA 1.481 1.659 0 C-N-CA 122.868 0.271 . . . . 60.42 113.153 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.85 140.07 32.43 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 124.366 1.066 . . . . 73.23 109.739 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.414 ' O ' HG22 ' B' ' 47' ' ' THR . 65.1 Cg_exo -53.96 150.46 30.59 Favored 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 122.257 1.971 . . . . 74.11 112.714 167.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.508 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 5.1 mpt_? -88.03 -32.72 18.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.057 0.543 . . . . 72.4 111.118 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.13 63.87 1.2 Allowed Glycine 0 CA--C 1.537 1.417 0 CA-C-N 116.347 -0.388 . . . . 71.01 112.257 172.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.414 HG22 ' O ' ' B' ' 44' ' ' PRO . 6.1 t -152.53 164.35 37.78 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.415 0.626 . . . . 45.23 111.816 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.8 -19.02 12.15 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.081 -0.963 . . . . 54.42 110.147 168.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.16 172.88 0.3 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.373 1.469 . . . . 73.44 111.918 -170.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 46.7 t -103.13 169.05 8.79 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.298 -0.864 . . . . 73.22 109.595 166.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -49.73 72.0 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.592 0.757 . . . . 75.41 112.689 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' MET . 42.0 t -71.31 -33.24 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.709 0.404 . . . . 72.42 110.977 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.1 mm-40 -57.96 -40.53 80.8 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.36 0.664 . . . . 64.12 112.175 173.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.62 -51.54 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 122.963 0.505 . . . . 64.34 110.975 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 36' ' ' LEU . 65.1 mt -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.04 0.536 . . . . 75.43 111.847 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.6 -33.52 75.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.103 0.779 . . . . 73.3 113.103 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.725 ' HB3' HG11 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -64.24 -35.56 81.22 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.201 0.455 . . . . 75.45 110.359 175.288 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.13 -44.23 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 123.539 0.736 . . . . 53.25 110.919 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.94 -56.84 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.756 0.822 . . . . 73.3 111.47 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.3 -31.5 72.67 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.593 0.757 . . . . 74.33 112.839 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.68 -54.86 42.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.419 0.688 . . . . 52.54 110.575 171.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.18 -43.09 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 123.894 0.878 . . . . 75.52 111.758 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 39' ' ' LEU . 71.6 mt -53.43 -47.34 69.71 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.021 0.928 . . . . 62.33 111.824 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.72 -31.24 72.35 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.655 -0.702 . . . . 75.41 111.677 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.63 -36.39 57.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.46 0.704 . . . . 74.24 111.74 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.63 -80.27 0.17 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.394 1.078 . . . . 65.33 111.804 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.53 130.63 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.703 0.801 . . . . 63.31 111.41 -172.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 CA--C 1.569 1.685 0 C-N-CA 123.635 0.774 . . . . 53.12 111.538 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.934 -0.395 . . . . 74.35 109.934 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.62 147.24 8.06 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 113.661 0.225 . . . . 44.21 113.661 177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -90.77 172.65 8.49 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.741 0.817 . . . . 74.0 110.572 173.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -148.97 110.09 4.37 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 120.986 0.422 . . . . 64.31 111.558 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -162.84 165.69 25.0 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.958 0.903 . . . . 74.3 110.41 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -151.4 97.01 2.35 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.581 0.752 . . . . 63.05 109.066 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -124.6 133.39 53.28 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.266 0.626 . . . . 75.13 111.426 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -140.62 124.09 16.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.923 0.889 . . . . 64.44 110.078 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -141.99 115.72 9.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.862 0.865 . . . . 74.2 109.845 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -116.75 4.96 13.06 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.763 0.825 . . . . 71.3 110.751 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.4 mtt -81.31 170.57 15.87 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.904 0.882 . . . . 72.34 112.4 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.41 -85.18 0.06 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.021 -0.832 . . . . 60.21 111.021 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.28 14.52 61.96 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 115.358 0.903 . . . . 62.42 115.358 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.4 -146.03 19.83 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 114.091 0.397 . . . . 73.34 114.091 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -125.34 163.95 21.44 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.626 0.77 . . . . 44.1 111.121 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -126.06 64.42 0.57 Allowed Glycine 0 CA--C 1.543 1.841 0 CA-C-O 119.238 -0.757 . . . . 61.04 113.12 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -92.33 -169.69 0.27 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.885 2.39 . . . . 73.54 113.619 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.1 -53.01 6.77 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.511 -0.768 . . . . 50.11 110.976 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.46 176.02 0.19 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 63.35 112.608 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.46 173.13 11.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.329 0.652 . . . . 53.31 110.504 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -165.23 164.63 12.47 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 123.926 0.89 . . . . 75.24 110.645 -172.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -71.08 17.7 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 C-N-CA 122.77 2.314 . . . . 34.11 114.431 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt 67.1 -171.15 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.741 1.616 . . . . 51.2 112.618 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' A' ' 27' ' ' ASP . 69.4 m -79.12 114.1 17.79 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.7 0.8 . . . . 70.54 110.956 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.18 -54.26 7.07 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.641 0.776 . . . . 63.0 110.248 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.59 37.99 4.29 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.477 -0.935 . . . . 73.03 108.477 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.689 ' HA ' ' HB3' ' A' ' 24' ' ' SER . 71.9 m-20 53.63 49.84 18.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.064 0.946 . . . . 65.35 111.436 -172.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.73 -39.99 74.91 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.583 1.153 . . . . 55.55 112.916 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.504 ' HB3' HG22 ' B' ' 52' ' ' VAL . 2.4 ptp -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.867 -0.606 . . . . 55.33 112.325 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.26 -36.0 82.78 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.373 0.669 . . . . 73.34 111.071 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -66.5 -38.49 87.35 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 122.641 0.376 . . . . 72.41 110.752 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.08 -31.43 71.05 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.553 0.741 . . . . 72.04 112.078 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -66.59 -39.46 88.42 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.011 0.924 . . . . 63.44 111.627 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -59.94 -45.67 91.88 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 73.5 110.501 171.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HD3' HD13 ' B' ' 59' ' ' ILE . 15.5 ttt180 -64.11 -33.53 75.98 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.336 1.054 . . . . 74.24 112.393 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 HD22 ' B' ' 55' ' ' LEU . 86.4 mt -59.9 -56.78 17.53 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.974 0.51 . . . . 63.35 110.194 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 54' ' ' ILE . 32.6 mtp180 -57.75 -21.54 41.89 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.247 1.019 . . . . 65.13 113.342 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -82.69 -29.39 29.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.756 0.822 . . . . 75.52 111.586 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.9 -8.89 24.94 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.889 0.876 . . . . 44.25 112.397 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG21 HG22 ' A' ' 58' ' ' VAL . 60.1 t -114.46 104.5 54.48 Favored Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 123.472 0.709 . . . . 65.14 110.935 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.24 -178.02 3.92 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.501 2.134 . . . . 61.24 112.606 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.43 89.91 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 116.257 -0.429 . . . . 64.01 113.339 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -82.36 116.15 62.04 Favored Pre-proline 0 CA--C 1.556 1.195 0 C-N-CA 123.771 0.828 . . . . 74.31 109.003 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.35 136.51 55.61 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.821 2.347 . . . . 70.21 112.435 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -67.74 114.23 6.17 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.727 0.811 . . . . 74.04 112.102 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.36 4.02 66.62 Favored Glycine 0 N--CA 1.474 1.207 0 CA-C-N 116.135 -0.484 . . . . 52.33 113.859 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.0 m -94.09 132.66 38.37 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.464 0.705 . . . . 62.13 110.53 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.28 -46.51 64.17 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.328 0.651 . . . . 65.14 111.479 -175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt 62.42 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.063 1.345 . . . . 63.41 113.03 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -67.01 151.04 48.39 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.09 -0.504 . . . . 72.53 110.548 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.0 -37.82 72.21 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.605 0.762 . . . . 73.41 112.867 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.14 -38.81 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.558 0.343 . . . . 74.31 111.094 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -36.58 77.57 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.173 0.589 . . . . 71.1 110.384 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.3 mt -63.89 -41.47 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 C-N-CA 123.068 0.547 . . . . 72.2 111.076 175.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 122.823 0.449 . . . . 74.24 111.689 173.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.71 -33.61 74.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.205 1.002 . . . . 73.32 111.74 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -61.27 -43.07 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.659 0.784 . . . . 72.23 110.606 170.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 40' ' ' VAL . 96.7 t -64.02 -46.02 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.465 0.706 . . . . 73.42 111.223 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.26 -48.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.41 0.684 . . . . 75.45 110.713 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.1 -36.64 82.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.271 1.028 . . . . 73.2 111.232 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.75 -45.58 92.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.056 0.942 . . . . 73.13 111.508 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' B' ' 39' ' ' LEU . 60.5 mt -67.79 -36.91 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 116.294 -0.412 . . . . 63.25 110.61 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.98 -30.36 71.34 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.354 0.662 . . . . 74.35 111.696 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.11 -32.57 72.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.874 0.87 . . . . 71.23 111.145 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.94 -41.12 60.25 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.621 0.768 . . . . 72.51 111.686 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 15.0 mm100 -76.24 -67.31 0.7 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.992 0.917 . . . . 75.54 111.469 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.93 120.78 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.57 0.748 . . . . 73.41 110.95 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 CA--C 1.562 1.428 0 C-N-CA 123.524 0.729 . . . . 60.31 109.986 174.406 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.69 -0.115 . . . . 74.3 110.69 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.43 -162.24 39.75 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 123.209 0.318 . . . . 71.44 113.734 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -158.83 118.58 3.12 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.979 0.912 . . . . 74.41 110.172 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -85.41 112.88 21.26 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.067 0.547 . . . . 75.13 109.762 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -92.28 137.48 32.33 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.114 0.566 . . . . 71.15 111.069 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -124.56 114.94 20.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.933 0.893 . . . . 53.21 111.013 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -87.54 151.69 22.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.634 0.774 . . . . 74.12 109.244 172.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -144.52 167.7 21.89 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.436 0.636 . . . . 63.24 112.271 -173.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -120.97 36.91 4.46 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.646 1.178 . . . . 62.43 110.369 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -85.29 153.13 22.79 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 122.912 0.485 . . . . 71.31 111.806 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.87 146.45 52.13 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.97 . . . . 74.22 110.186 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.5 54.87 5.3 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 122.833 0.254 . . . . 73.45 113.247 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.51 8.19 30.33 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 114.583 0.593 . . . . 72.32 114.583 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.19 161.7 25.75 Favored Glycine 0 N--CA 1.474 1.193 0 CA-C-N 116.813 0.307 . . . . 70.14 112.897 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -75.29 -38.44 60.35 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.176 0.59 . . . . 65.11 112.115 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.69 -165.89 25.21 Favored Glycine 0 CA--C 1.54 1.6 0 CA-C-O 119.448 -0.64 . . . . 63.33 112.548 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.88 108.73 1.89 Allowed 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.858 2.372 . . . . 73.23 113.65 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.51 -16.28 58.8 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.72 0.408 . . . . 60.44 111.721 171.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.2 157.28 21.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.603 0.761 . . . . 43.45 111.49 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -144.9 -175.07 4.53 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 74.44 111.019 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -129.25 153.95 80.52 Favored Pre-proline 0 N--CA 1.495 1.786 0 C-N-CA 123.379 0.671 . . . . 70.12 111.755 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.21 -175.74 2.7 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.602 2.201 . . . . 52.23 113.052 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.04 -44.23 97.71 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.207 0.603 . . . . 73.13 112.148 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.1 m -143.97 -88.19 0.12 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.984 0.514 . . . . 73.13 109.73 175.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 73.0 mt -136.47 133.69 36.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.971 0.909 . . . . 65.33 110.09 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 tt -169.68 -60.12 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 105.789 -1.93 . . . . 65.31 105.789 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.71 72.29 0.53 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.43 -1.259 . . . . 63.12 112.068 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.43 -27.75 68.78 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.595 -1.184 . . . . 73.33 110.874 176.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -55.35 30.31 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.634 0.774 . . . . 70.34 110.608 171.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 14.5 t30 -64.47 -27.44 68.99 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.007 0.923 . . . . 75.34 111.906 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.87 -54.99 30.82 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.836 0.855 . . . . 73.34 110.643 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.11 -31.6 62.86 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.303 -0.862 . . . . 74.34 112.17 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' TYR . . . . . 0.555 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 11.8 m-85 -61.3 -41.94 97.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.604 0.762 . . . . 73.34 112.176 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -62.66 -45.62 91.99 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.147 0.579 . . . . 73.14 110.188 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -30.85 71.91 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 124.175 0.99 . . . . 71.12 111.655 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 40' ' ' VAL . 79.6 mt -63.04 -50.31 71.13 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.676 0.39 . . . . 73.54 110.142 170.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.408 HH21 HD11 ' B' ' 54' ' ' ILE . 51.3 mtt180 -55.48 -25.95 39.75 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.601 0.76 . . . . 75.13 112.59 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -76.35 -38.56 55.68 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.247 0.546 . . . . 74.43 110.454 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.9 mt -87.44 -16.09 35.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.81 0.844 . . . . 74.23 113.148 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 36' ' ' LEU . 60.6 t -94.34 107.81 31.91 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 123.03 0.532 . . . . 74.35 111.217 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.47 7.57 4.7 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.464 2.776 . . . . 54.44 113.25 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.07 35.53 3.77 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 123.066 0.365 . . . . 72.2 113.162 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.69 101.98 39.38 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.521 0.729 . . . . 75.45 109.948 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.69 153.01 79.47 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.031 2.487 . . . . 74.53 112.629 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.32 100.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.499 1.119 . . . . 71.33 113.743 -171.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.19 -6.16 63.57 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.546 -0.752 . . . . 72.25 114.359 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 55.9 m -69.83 102.63 1.99 Allowed 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.725 0.762 . . . . 72.53 110.675 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -75.09 96.92 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.589 0.755 . . . . 64.3 110.231 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.86 133.66 44.52 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.761 -0.654 . . . . 42.01 111.195 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.5 p -89.93 -174.63 4.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.316 0.646 . . . . 63.32 110.377 171.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.8 -43.01 90.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.405 0.682 . . . . 71.04 112.834 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.9 t -70.62 -38.32 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.816 0.446 . . . . 71.05 111.072 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.8 -39.06 70.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.77 0.828 . . . . 61.33 111.896 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.408 HD11 HH21 ' B' ' 37' ' ' ARG . 93.3 mt -54.09 -54.89 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.82 0.848 . . . . 61.14 111.302 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 36' ' ' LEU . 86.5 mt -56.14 -46.18 79.33 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.757 0.823 . . . . 75.34 111.636 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.73 -41.66 98.02 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.921 -1.036 . . . . 71.2 112.187 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -65.62 -36.94 85.18 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.058 0.943 . . . . 75.02 111.749 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 58' ' ' VAL . 68.3 t -61.62 -48.97 86.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 CA-C-N 115.677 -0.692 . . . . 62.25 110.635 173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.541 HD13 ' HD3' ' A' ' 35' ' ' ARG . 89.8 mt -55.79 -48.93 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.361 0.664 . . . . 74.13 110.938 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.66 -48.09 75.62 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.607 0.763 . . . . 73.52 111.904 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -56.63 -48.04 78.37 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.079 0.952 . . . . 71.53 112.066 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.98 -37.4 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 115.652 -0.704 . . . . 73.1 111.496 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.21 -41.71 84.62 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.375 0.88 . . . . 71.41 113.375 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.09 -30.87 71.02 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.09 0.556 . . . . 74.22 112.157 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.93 -32.65 45.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.909 0.484 . . . . 74.32 111.447 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -99.64 -179.75 4.29 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.641 1.176 . . . . 71.44 111.676 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -94.48 126.63 46.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.2 0.6 . . . . 72.54 109.478 168.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.562 1.427 0 C-N-CA 123.451 0.701 . . . . 74.5 110.503 -175.844 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.7 mtp . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.282 0.086 . . . . 74.53 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.76 45.75 10.37 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 114.155 0.422 . . . . 55.31 114.155 173.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -83.81 100.91 11.25 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.54 . . . . 70.52 109.581 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -126.01 -28.66 3.15 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.367 0.667 . . . . 75.12 112.682 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -61.02 103.95 0.32 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.929 0.715 . . . . 61.4 112.929 -173.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -84.67 88.33 7.35 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.79 0.836 . . . . 71.11 109.313 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -148.75 102.75 3.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.667 0.787 . . . . 75.53 109.113 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -114.13 5.85 16.12 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.865 0.866 . . . . 72.35 111.97 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.2 p -113.02 147.68 36.69 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.757 0.823 . . . . 62.44 111.605 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -153.04 101.02 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.587 0.755 . . . . 60.22 109.852 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt -137.18 125.52 23.32 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.511 0.724 . . . . 71.13 110.225 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.56 -158.34 24.96 Favored Glycine 0 N--CA 1.473 1.115 0 C-N-CA 123.124 0.393 . . . . 61.44 112.495 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.39 164.26 21.57 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 113.825 0.29 . . . . 71.12 113.825 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.74 36.69 75.48 Favored Glycine 0 CA--C 1.536 1.346 0 O-C-N 122.834 -0.216 . . . . 40.55 113.552 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -81.56 97.09 7.67 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.329 0.652 . . . . 63.31 110.543 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.94 152.53 36.85 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-O 119.517 -0.602 . . . . 55.42 113.499 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -64.27 151.15 86.59 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.021 2.481 . . . . 51.53 113.364 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.17 83.35 2.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.425 0.631 . . . . 64.41 110.493 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.38 0.79 31.64 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.066 0.546 . . . . 51.22 111.972 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -130.12 158.62 39.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.216 1.006 . . . . 74.24 110.334 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.66 144.38 28.5 Favored Pre-proline 0 N--CA 1.482 1.169 0 N-CA-C 108.556 -0.905 . . . . 73.23 108.556 163.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HB2' ' HA3' ' B' ' 14' ' ' GLY . 34.8 Cg_exo -63.2 97.87 0.2 Allowed 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 122.293 1.995 . . . . 65.23 112.631 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.13 129.66 39.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.417 -0.356 . . . . 74.1 110.167 172.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.4 p -70.05 77.49 0.5 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.585 0.754 . . . . 73.13 111.747 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tt -179.46 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.306 1.442 . . . . 75.22 108.172 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 27' ' ' ASP . 8.2 tt -68.82 155.86 39.44 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.492 1.117 . . . . 64.42 110.13 175.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 26' ' ' LEU . 5.9 m-20 -73.99 54.27 0.51 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.245 1.018 . . . . 53.1 112.362 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.07 -31.97 73.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.601 0.76 . . . . 63.25 111.186 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' B' ' 52' ' ' VAL . 36.8 mtp -57.75 -41.21 81.44 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.617 -0.72 . . . . 74.21 111.178 175.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.49 -36.53 82.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.965 0.906 . . . . 75.03 111.238 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -64.64 -41.54 96.07 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.962 0.505 . . . . 73.12 110.661 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.3 m -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.381 0.672 . . . . 70.15 111.746 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.83 -34.66 78.29 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.954 0.902 . . . . 73.24 112.094 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -64.54 -38.89 92.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.913 0.485 . . . . 52.33 111.033 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -75.17 -27.74 59.78 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 113.502 0.927 . . . . 72.23 113.502 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . 90.3 mt -61.77 -46.67 88.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.58 -0.526 . . . . 70.12 109.58 169.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -56.76 -30.3 63.45 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.484 0.714 . . . . 65.14 112.833 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.01 -34.65 75.61 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.252 0.549 . . . . 74.45 111.196 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB3' HG21 ' B' ' 62' ' ' ILE . 78.6 mt -99.5 -2.23 36.44 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.344 0.868 . . . . 63.34 113.344 -170.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' LEU . 43.1 t -111.43 103.88 55.51 Favored Pre-proline 0 N--CA 1.493 1.718 0 CA-C-N 118.08 0.4 . . . . 52.23 111.83 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -79.64 -4.75 13.71 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 123.08 2.52 . . . . 42.32 113.081 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.99 14.59 19.59 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.411 0.525 . . . . 73.0 114.411 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HG2' ' A' ' 57' ' ' ARG . 99.2 t -84.85 127.71 63.77 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 123.81 0.844 . . . . 62.33 110.147 172.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.99 170.81 13.51 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.44 2.093 . . . . 61.33 113.219 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -71.67 -32.41 67.85 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.852 0.461 . . . . 60.33 110.769 171.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.95 -156.52 32.76 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.213 -0.449 . . . . 63.43 112.258 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 m 66.33 102.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.645 1.178 . . . . 61.41 111.993 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.74 108.76 3.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.997 0.519 . . . . 74.11 109.931 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.38 97.17 2.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 121.112 0.482 . . . . 64.14 111.626 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.2 m -73.78 161.72 29.91 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.167 -0.679 . . . . 74.24 109.167 165.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -49.16 -38.06 24.32 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.38 0.881 . . . . 73.21 113.38 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.92 -43.63 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.15 0.58 . . . . 73.33 111.255 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.1 -34.14 74.48 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.902 0.881 . . . . 73.03 112.069 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' VAL . 93.8 mt -59.71 -50.68 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.581 0.753 . . . . 54.52 110.691 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HD11 ' B' ' 36' ' ' LEU . 57.0 mt -57.22 -43.58 82.99 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.419 0.45 . . . . 63.23 111.517 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.31 -39.83 84.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 73.42 111.884 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.47 -38.75 92.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.798 0.439 . . . . 65.32 111.587 175.195 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.2 t -68.98 -44.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.086 0.554 . . . . 74.34 111.84 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.67 -50.46 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.751 0.82 . . . . 74.44 111.254 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.23 -36.78 85.18 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.601 0.761 . . . . 73.14 112.104 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.29 -48.03 79.96 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.336 0.654 . . . . 63.23 111.515 173.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 58' ' ' VAL . 73.3 mt -66.0 -29.27 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 123.243 0.617 . . . . 72.12 110.956 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.94 -32.04 71.36 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.963 0.505 . . . . 73.35 112.213 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.21 -30.73 70.73 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.233 0.539 . . . . 62.45 111.386 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.8 mt -80.98 -45.86 15.98 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.761 -0.654 . . . . 54.42 111.011 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.49 97.06 8.22 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.524 0.678 . . . . 63.24 110.286 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.36 92.38 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-N 115.326 -0.852 . . . . 72.04 109.707 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.568 1.673 0 CA-C-N 115.777 -0.647 . . . . 71.03 111.799 177.023 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' B' ' 3' ' ' HIS . 17.8 tmm? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.4 -0.593 . . . . 75.34 109.4 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.07 66.55 3.85 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 114.147 0.419 . . . . 74.31 114.147 -173.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.498 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 83.7 t60 -166.76 164.14 16.55 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.208 1.003 . . . . 73.35 109.514 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -153.53 157.35 39.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.495 0.718 . . . . 72.34 110.336 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -105.89 31.66 4.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.646 0.736 . . . . 72.15 109.412 174.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.4 t60 62.25 81.54 0.2 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.467 1.107 . . . . 63.03 109.839 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -81.07 129.91 34.77 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.765 -0.652 . . . . 74.52 110.371 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -84.09 32.12 0.49 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.033 0.933 . . . . 73.44 111.773 -174.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 m -86.81 52.7 2.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.239 1.016 . . . . 61.21 111.403 -177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -63.31 92.88 0.06 Allowed 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.621 0.768 . . . . 54.01 110.683 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 57.4 mtt -65.6 -52.11 54.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.121 0.968 . . . . 74.04 112.781 -169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.08 45.01 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 116.15 -0.477 . . . . 64.54 112.549 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.1 58.43 2.21 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 112.257 -0.337 . . . . 71.51 112.257 -174.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.555 ' HA3' ' HB2' ' A' ' 22' ' ' PRO . . . -144.45 82.66 0.21 Allowed Glycine 0 N--CA 1.472 1.055 0 N-CA-C 112.183 -0.367 . . . . 63.2 112.183 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -122.63 175.44 6.49 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.877 0.871 . . . . 74.13 110.639 -175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.59 -151.71 6.57 Favored Glycine 0 N--CA 1.473 1.142 0 CA-C-O 118.864 -0.964 . . . . 40.12 112.014 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.72 110.62 1.14 Allowed 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.542 2.161 . . . . 74.31 111.342 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 89.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.639 0.776 . . . . 64.53 112.383 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 164.35 15.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.734 0.814 . . . . 74.34 111.591 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -147.06 139.21 24.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.139 0.576 . . . . 44.44 110.911 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.79 142.6 56.95 Favored Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 123.363 0.665 . . . . 71.43 110.081 172.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.6 9.47 2.23 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.965 2.443 . . . . 73.21 115.943 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt 55.02 99.65 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.533 1.533 . . . . 41.52 113.812 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -132.41 141.81 49.02 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.264 0.626 . . . . 75.44 109.785 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mp 61.67 -163.42 0.26 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.726 0.81 . . . . 65.31 109.844 -167.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.89 96.76 10.57 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.678 -0.639 . . . . 75.14 110.578 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.62 84.11 0.86 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.391 -0.822 . . . . 73.54 109.979 175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.25 -26.05 65.49 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.246 0.618 . . . . 74.14 111.844 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -54.14 41.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.831 0.852 . . . . 73.3 110.752 167.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.01 -26.62 56.85 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.535 -1.211 . . . . 65.24 111.969 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -70.5 -39.95 73.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.661 0.784 . . . . 60.15 109.94 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.81 -37.28 87.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.448 0.699 . . . . 75.54 111.327 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -62.5 -37.09 84.68 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.102 0.561 . . . . 74.24 111.869 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 67.5 m -68.26 -33.97 75.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.181 0.592 . . . . 50.55 111.118 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -72.83 -32.67 65.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.751 0.82 . . . . 62.13 112.518 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 55' ' ' LEU . 96.9 mt -64.5 -45.39 87.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.933 0.493 . . . . 62.02 109.849 169.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.402 ' HE ' HG11 ' B' ' 43' ' ' VAL . 15.6 tpt180 -56.08 -25.18 44.3 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.984 0.914 . . . . 74.22 112.105 176.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.0 mm-40 -76.21 -40.34 52.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.301 0.64 . . . . 63.14 111.329 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.8 mt -95.89 -7.86 35.59 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 114.077 1.14 . . . . 74.11 114.077 -170.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.8 t -107.34 101.9 41.18 Favored Pre-proline 0 N--CA 1.491 1.597 0 CA-C-N 118.22 0.464 . . . . 73.54 111.774 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 61' ' ' TYR . 91.7 Cg_endo -75.05 -7.0 18.73 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.206 2.604 . . . . 53.13 112.303 168.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.85 -15.43 60.1 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-N 116.099 -0.501 . . . . 73.01 113.436 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.402 HG11 ' HE ' ' B' ' 37' ' ' ARG . 92.6 t -65.12 120.89 70.99 Favored Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 123.321 0.648 . . . . 73.33 109.691 170.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.39 94.1 0.36 Allowed 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.56 2.173 . . . . 75.41 112.824 -172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 56.74 -83.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.454 1.501 . . . . 72.14 112.004 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.8 -92.12 1.66 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 110.669 -0.973 . . . . 43.21 110.669 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.4 m 55.19 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.226 1.41 . . . . 71.23 113.962 169.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.31 109.72 1.67 Allowed 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.609 0.719 . . . . 65.21 111.483 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.39 176.41 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.792 0.837 . . . . 74.23 112.161 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.1 t -98.57 169.24 9.65 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.527 0.731 . . . . 55.55 110.719 172.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.37 -42.3 98.85 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.379 0.672 . . . . 74.2 111.391 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 29' ' ' MET . 8.1 t -71.07 -37.81 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.081 -0.509 . . . . 75.32 110.824 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.59 -45.01 77.48 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.066 0.946 . . . . 74.42 111.728 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.416 ' O ' HG23 ' B' ' 58' ' ' VAL . 76.6 mt -60.56 -49.56 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.543 0.527 . . . . 65.14 110.801 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.56 -51.97 61.21 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.811 0.671 . . . . 71.31 112.811 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.41 -34.58 76.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.558 0.743 . . . . 71.14 112.04 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -73.73 -28.64 61.8 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.396 0.678 . . . . 71.1 111.845 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.486 HG21 HD13 ' B' ' 36' ' ' LEU . 55.6 t -73.42 -42.01 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.171 0.588 . . . . 64.05 110.382 174.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 79.3 mt -56.08 -52.6 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 109.721 -0.474 . . . . 64.14 109.721 171.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.85 -33.59 73.29 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.509 1.124 . . . . 71.43 112.298 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' B' ' 41' ' ' PRO . 54.3 t80 -62.73 -49.72 73.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.717 0.807 . . . . 71.41 111.047 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.3 mt -65.17 -38.4 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 122.959 0.503 . . . . 65.24 110.692 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 89.4 mt -67.93 -29.61 68.71 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.706 0.802 . . . . 64.25 111.39 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.71 -34.81 76.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.395 0.678 . . . . 73.35 111.087 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 70.1 mt -72.75 -36.2 67.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.498 0.719 . . . . 52.23 111.091 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.75 165.84 13.93 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.217 1.007 . . . . 70.23 112.244 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.89 100.72 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.136 0.574 . . . . 71.43 110.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.492 1.671 0 C-N-CA 123.528 0.731 . . . . 62.13 112.765 -177.815 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.628 -0.138 . . . . 74.02 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.37 86.33 0.07 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 112.396 -0.282 . . . . 44.24 112.396 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -147.89 154.83 40.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.36 0.664 . . . . 70.01 111.929 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -105.87 144.78 32.12 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.806 0.842 . . . . 63.22 110.498 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -75.06 171.8 13.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.379 1.071 . . . . 62.34 111.987 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -143.69 133.8 24.29 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.243 0.617 . . . . 72.24 111.301 -176.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -98.49 144.1 28.19 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.258 1.023 . . . . 62.03 110.368 174.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -155.87 94.98 1.6 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.865 0.866 . . . . 75.44 110.584 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -144.7 118.74 9.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.703 0.801 . . . . 72.33 110.454 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -148.61 96.51 2.6 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.122 0.569 . . . . 64.31 110.309 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.573 ' HG2' ' HD3' ' B' ' 45' ' ' ARG . 28.0 ttt -161.42 97.94 1.12 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.437 0.695 . . . . 71.04 110.372 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.02 -163.2 13.5 Favored Glycine 0 N--CA 1.473 1.129 0 CA-C-N 116.097 -0.501 . . . . 71.34 112.444 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.66 137.38 1.57 Allowed Glycine 0 N--CA 1.478 1.468 0 N-CA-C 113.96 0.344 . . . . 74.31 113.96 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.55 -170.71 38.2 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-O 121.124 0.291 . . . . 54.31 113.616 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -124.36 122.74 38.54 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.647 1.179 . . . . 72.44 110.441 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.24 -174.02 17.05 Favored Glycine 0 N--CA 1.478 1.489 0 CA-C-O 119.771 -0.461 . . . . 51.45 113.299 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.96 114.77 4.1 Favored 'Trans proline' 0 CA--C 1.56 1.782 0 C-N-CA 122.621 2.214 . . . . 72.31 111.636 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.1 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.046 0.938 . . . . 54.32 112.732 -173.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.21 93.06 8.95 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.812 0.845 . . . . 43.42 110.751 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.684 ' HG2' ' HA ' ' B' ' 50' ' ' SER . 29.3 mt-10 -130.3 158.64 39.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.605 0.762 . . . . 63.05 111.805 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -147.71 147.53 27.7 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 123.833 0.853 . . . . 75.44 109.362 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.09 -176.29 3.17 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.69 2.26 . . . . 64.25 113.624 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.05 94.15 0.32 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.465 0.706 . . . . 73.33 110.489 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -130.06 -49.35 1.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.725 0.81 . . . . 72.01 110.557 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt? -79.45 -177.52 5.81 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.121 0.969 . . . . 71.44 112.16 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.87 144.04 52.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.726 0.81 . . . . 63.22 110.557 176.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.45 90.25 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.447 1.099 . . . . 72.43 113.755 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.6 -31.04 41.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.724 0.809 . . . . 74.43 109.014 162.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.647 ' HG2' HG22 ' B' ' 52' ' ' VAL . 21.6 mtp -54.81 -52.11 63.7 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.539 1.136 . . . . 65.31 112.47 -176.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -66.55 -31.12 71.63 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.107 0.963 . . . . 73.14 112.693 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.73 -40.83 69.16 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.737 0.415 . . . . 53.34 110.987 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 92.8 m -62.03 -41.54 98.2 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.028 0.531 . . . . 72.31 111.381 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.32 -39.13 92.02 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.957 0.903 . . . . 73.11 112.038 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.3 m -63.65 -46.36 85.97 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.072 0.549 . . . . 72.12 110.66 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' B' ' 59' ' ' ILE . 22.9 ttp180 -63.31 -31.66 72.87 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.203 1.001 . . . . 71.22 111.89 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD13 HG21 ' A' ' 58' ' ' VAL . 98.0 mt -65.83 -55.83 15.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.486 0.714 . . . . 70.33 110.185 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -53.76 -24.79 16.22 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.662 0.986 . . . . 65.23 113.662 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.29 -32.41 29.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.758 0.823 . . . . 64.2 111.239 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -95.58 -12.5 25.58 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.671 0.788 . . . . 74.44 112.394 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 61' ' ' TYR . 97.9 t -100.58 106.65 44.4 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 123.861 0.865 . . . . 71.02 111.183 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.45 -3.39 13.83 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.817 2.345 . . . . 62.02 113.079 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 -21.14 72.43 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 123.131 0.396 . . . . 43.3 113.691 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.67 110.32 8.71 Favored Pre-proline 0 CA--C 1.566 1.573 0 C-N-CA 123.645 0.778 . . . . 75.34 110.163 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.4 2.31 1.59 Allowed 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.645 2.897 . . . . 72.23 116.314 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 69.93 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.321 1.448 . . . . 70.42 111.645 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.88 -75.32 1.88 Allowed Glycine 0 CA--C 1.535 1.309 0 N-CA-C 110.812 -0.915 . . . . 51.22 110.812 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t 47.79 -60.77 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 118.632 2.827 . . . . 60.41 118.632 164.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 87.12 90.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.027 2.131 . . . . 71.0 109.462 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -128.55 127.67 42.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.54 1.136 . . . . 72.34 109.509 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.9 m -85.95 178.31 7.31 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.233 0.613 . . . . 64.5 111.111 175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -49.24 -45.57 44.84 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 124.245 1.018 . . . . 75.41 113.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' B' ' 29' ' ' MET . 47.9 t -69.63 -40.85 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.787 0.835 . . . . 74.31 111.507 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.99 -26.77 62.37 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.52 0.728 . . . . 62.31 112.672 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.3 mt -63.85 -47.02 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 109.703 -0.48 . . . . 75.55 109.703 171.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 98.3 mt -54.96 -41.05 70.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.971 0.908 . . . . 71.31 112.669 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.98 -41.77 88.39 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.605 0.762 . . . . 72.02 111.563 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -69.79 -31.54 69.52 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.445 0.698 . . . . 74.11 112.118 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.635 HG21 HD13 ' A' ' 36' ' ' LEU . 93.2 t -66.45 -37.33 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.173 0.589 . . . . 64.04 110.744 175.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' B' ' 32' ' ' CYS . 77.7 mt -62.88 -50.0 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 116.067 -0.515 . . . . 61.52 109.86 170.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -52.82 -41.78 64.52 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.831 0.852 . . . . 62.23 111.864 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.48 ' HE2' HG12 ' B' ' 62' ' ' ILE . 52.1 t80 -56.26 -51.37 68.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.634 0.774 . . . . 71.52 111.428 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.703 HG21 ' HB3' ' B' ' 39' ' ' LEU . 32.8 mt -68.94 -32.25 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.946 -0.57 . . . . 70.11 110.792 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.5 mt -64.2 -37.34 87.12 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.071 0.548 . . . . 73.34 111.311 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -66.87 -33.23 75.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.379 0.672 . . . . 71.24 111.71 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.46 -41.87 75.66 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.841 0.456 . . . . 64.02 111.78 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 14.7 mm100 -77.87 -66.1 0.88 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.701 0.8 . . . . 61.24 111.681 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.8 t -103.95 143.1 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 123.915 0.886 . . . . 61.12 111.01 -171.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.547 0.739 . . . . 72.03 110.906 178.309 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.517 0.199 . . . . 73.32 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.26 130.36 1.44 Allowed Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.516 -0.311 . . . . 62.23 112.708 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -100.19 118.42 36.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.068 0.547 . . . . 74.12 111.099 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -87.71 81.57 7.61 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.355 -0.98 . . . . 75.25 108.355 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -128.67 -45.98 1.3 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.256 -0.884 . . . . 62.4 109.785 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -73.03 114.56 11.32 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.172 0.589 . . . . 63.44 110.678 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -158.22 121.75 3.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.333 1.053 . . . . 65.21 109.078 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -87.79 128.06 35.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.047 0.539 . . . . 73.33 111.138 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -116.54 -168.16 1.4 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.191 0.996 . . . . 64.54 110.451 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -65.32 139.82 58.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 112.428 0.529 . . . . 62.33 112.428 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.9 173.09 12.73 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.515 1.126 . . . . 64.3 110.796 -178.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.86 53.11 21.02 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.435 -0.348 . . . . 23.25 113.496 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.77 127.58 25.54 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-O 120.279 -0.178 . . . . 75.45 113.494 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.18 -42.44 1.93 Allowed Glycine 0 C--N 1.352 1.431 0 CA-C-O 119.82 -0.433 . . . . 63.34 113.101 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 67.69 125.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.156 1.382 . . . . 70.41 112.628 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.64 -164.8 26.96 Favored Glycine 0 CA--C 1.546 2.018 0 N-CA-C 114.662 0.625 . . . . 71.04 114.662 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.92 55.24 5.56 Favored 'Trans proline' 0 CA--C 1.562 1.901 0 C-N-CA 123.537 2.825 . . . . 72.4 113.609 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.6 74.55 5.13 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.479 0.657 . . . . 44.11 110.872 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.74 -54.21 4.67 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.745 0.818 . . . . 72.31 110.817 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.99 177.29 5.75 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.523 1.129 . . . . 63.02 112.407 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.46 159.3 81.81 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 124.047 0.939 . . . . 74.44 111.914 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.93 98.87 0.14 Allowed 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 122.733 2.289 . . . . 71.52 112.754 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.48 114.41 23.21 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.623 0.769 . . . . 75.55 111.762 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -140.61 -77.64 0.3 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.592 0.757 . . . . 45.44 110.299 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -174.98 169.27 3.42 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.539 0.735 . . . . 72.1 110.134 -171.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 tt -66.46 141.61 57.85 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.294 -0.632 . . . . 53.21 109.294 165.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.46 73.25 1.39 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.354 0.662 . . . . 74.25 112.197 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.34 -32.16 64.39 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.603 -0.726 . . . . 74.1 109.1 173.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.627 ' HB2' HG22 ' A' ' 52' ' ' VAL . 17.0 ttm -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.2 1.0 . . . . 75.45 111.831 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.92 -32.35 71.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.453 0.301 . . . . 73.42 111.324 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -60.02 -46.02 90.85 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.461 0.705 . . . . 72.41 110.589 172.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 59' ' ' ILE . 94.9 m -61.72 -48.68 79.63 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.16 -0.927 . . . . 73.5 111.208 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -60.13 -32.59 71.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.326 1.05 . . . . 52.22 112.336 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -67.67 -48.27 67.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 74.2 110.795 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.405 ' HD2' HD13 ' A' ' 59' ' ' ILE . 38.6 mtt180 -58.37 -40.49 82.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.468 0.707 . . . . 74.13 112.367 173.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 32' ' ' CYS . 82.0 mt -61.53 -48.64 80.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.566 0.346 . . . . 75.13 110.246 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -59.11 -20.76 56.44 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.264 0.838 . . . . 51.53 113.264 175.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.39 -38.65 13.17 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.216 0.606 . . . . 64.54 111.137 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 62' ' ' ILE . 98.6 mt -86.03 -12.18 50.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.741 0.816 . . . . 61.23 112.177 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.5 t -105.42 102.18 35.87 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 42.25 109.502 174.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -75.73 22.39 0.47 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.252 2.635 . . . . 75.22 114.094 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.496 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -103.42 5.23 48.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.585 -0.564 . . . . 62.2 114.305 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.46 120.99 82.23 Favored Pre-proline 0 N--CA 1.487 1.419 0 CA-C-N 117.716 0.758 . . . . 72.52 109.974 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.46 80.85 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 123.424 2.749 . . . . 65.03 115.275 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 11' ' ' MET . 30.7 mmm180 49.88 25.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 116.276 1.954 . . . . 74.4 116.276 167.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.46 123.79 3.18 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 122.327 -0.233 . . . . 44.33 113.494 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -177.65 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 40.14 111.062 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 50.51 82.58 0.05 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.287 1.035 . . . . 75.53 110.627 -166.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' B' ' 53' ' ' GLU . 66.8 mt -56.02 157.75 4.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.196 1.399 . . . . 71.15 114.047 -171.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.684 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 33.0 t -66.15 156.73 33.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.311 -0.859 . . . . 50.15 111.103 169.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -46.97 -40.02 13.56 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.056 0.942 . . . . 75.24 112.726 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 29' ' ' MET . 11.2 t -71.29 -51.5 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.26 0.624 . . . . 63.11 111.124 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' B' ' 49' ' ' LEU . 48.5 mm-40 -56.96 -34.76 68.37 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.28 1.032 . . . . 71.33 112.741 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 58' ' ' VAL . 86.0 mt -64.37 -49.03 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.362 0.665 . . . . 54.14 110.626 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 36' ' ' LEU . 87.6 mt -52.61 -46.18 66.91 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.402 0.681 . . . . 72.23 111.441 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.05 -45.54 84.95 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.961 -1.018 . . . . 62.42 111.362 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -29.89 70.92 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.382 0.673 . . . . 74.2 112.657 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 62' ' ' ILE . 72.8 t -64.29 -47.24 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 109.787 -0.449 . . . . 74.22 109.787 172.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.652 HG21 ' HE ' ' A' ' 35' ' ' ARG . 73.4 mt -62.79 -37.97 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 123.136 0.574 . . . . 71.31 110.857 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -67.35 -34.91 78.32 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.248 0.619 . . . . 71.15 111.589 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.616 ' HB2' HG13 ' B' ' 40' ' ' VAL . 52.8 t80 -59.97 -47.78 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.547 1.139 . . . . 73.11 110.635 173.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.48 HG12 ' HE2' ' A' ' 61' ' ' TYR . 61.4 mt -62.68 -49.98 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 123.71 0.804 . . . . 63.33 110.723 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -32.04 73.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.859 0.863 . . . . 75.32 112.164 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.03 -39.41 93.32 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.194 0.598 . . . . 62.35 110.817 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 83.0 mt -69.62 -44.76 70.03 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.484 0.714 . . . . 73.35 111.844 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.47 -51.69 33.68 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.977 0.911 . . . . 62.33 113.158 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.53 128.22 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.513 0.725 . . . . 71.34 111.904 -173.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 CA--C 1.566 1.592 0 C-N-CA 123.813 0.845 . . . . 36.97 109.989 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.266 0.079 . . . . 72.24 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.77 91.2 0.45 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.543 -0.623 . . . . 72.02 111.543 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -66.37 145.69 55.41 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.197 0.599 . . . . 72.43 111.621 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -102.53 103.82 14.19 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.404 0.681 . . . . 71.45 110.243 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -87.71 64.81 8.18 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.89 0.876 . . . . 74.2 111.435 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -82.84 88.46 6.78 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.917 0.487 . . . . 73.13 111.076 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -143.0 122.33 13.06 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.466 -0.939 . . . . 71.32 108.466 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.02 90.27 1.49 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.337 0.589 . . . . 72.01 110.765 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -100.58 85.44 2.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.657 0.783 . . . . 73.03 109.236 170.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -69.81 -63.37 1.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.633 0.373 . . . . 74.52 110.163 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 ttt 68.43 149.3 0.07 Allowed 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.073 1.349 . . . . 52.33 112.65 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.31 -166.1 26.87 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 114.302 0.481 . . . . 55.13 114.302 174.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.58 160.39 22.59 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 123.118 0.389 . . . . 63.34 112.45 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.83 -18.33 2.41 Favored Glycine 0 N--CA 1.481 1.645 0 CA-C-N 117.347 0.573 . . . . 72.42 114.513 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -108.7 -79.5 0.58 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.872 0.469 . . . . 74.3 110.825 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.11 126.34 0.14 Allowed Glycine 0 CA--C 1.546 2.01 0 CA-C-O 119.105 -0.83 . . . . 62.45 112.828 -173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.6 127.38 22.49 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.625 2.217 . . . . 72.32 112.175 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 93.94 0.09 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.593 0.757 . . . . 74.24 111.441 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.02 167.67 21.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.905 0.882 . . . . 52.54 111.023 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -145.22 115.02 7.33 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.498 0.719 . . . . 75.12 110.631 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 161.3 14.42 Favored Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 123.674 0.79 . . . . 72.32 110.851 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -58.62 160.51 17.15 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 123.063 2.508 . . . . 72.33 114.106 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.19 111.82 1.88 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.287 0.635 . . . . 65.24 111.725 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.1 p -159.48 144.98 15.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.503 1.121 . . . . 75.54 109.549 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.48 158.47 7.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.988 0.915 . . . . 61.44 112.008 -175.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tt 80.02 108.66 0.07 Allowed 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 126.102 1.761 . . . . 73.31 109.279 -165.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 54.51 22.99 4.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 73.11 112.862 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.58 -33.79 76.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.307 0.243 . . . . 74.4 110.834 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.3 ttm -61.82 -39.39 91.6 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.66 0.784 . . . . 75.43 111.792 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -63.58 -50.39 69.65 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.598 0.759 . . . . 64.0 110.814 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.06 -35.13 79.7 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.794 0.838 . . . . 73.44 112.074 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 m -66.47 -53.88 30.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.706 0.802 . . . . 63.24 111.317 175.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.72 -35.93 75.53 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.21 0.604 . . . . 73.43 112.512 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -63.35 -49.39 74.07 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.965 0.506 . . . . 64.33 111.011 175.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.81 -38.22 87.33 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.474 1.11 . . . . 53.22 112.016 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 58' ' ' VAL . 94.5 mt -62.14 -51.03 69.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.344 0.658 . . . . 71.3 110.727 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -56.71 -22.86 38.25 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.215 0.821 . . . . 72.24 113.215 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -87.91 -32.57 18.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.562 0.745 . . . . 62.11 111.275 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.7 -25.49 24.74 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.699 0.8 . . . . 73.3 112.13 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 57' ' ' ARG . 87.9 t -92.62 119.43 67.96 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.646 0.778 . . . . 64.11 111.725 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.14 173.6 13.68 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.092 2.528 . . . . 75.34 112.4 169.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.1 87.99 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 114.134 0.413 . . . . 74.4 114.134 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -90.56 110.76 43.47 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.739 0.815 . . . . 70.14 109.438 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.21 135.72 35.23 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.353 2.035 . . . . 72.23 112.229 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -65.76 -31.29 72.18 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.436 0.694 . . . . 52.04 112.085 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.82 24.9 15.43 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-O 120.052 -0.305 . . . . 61.32 113.501 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.1 m -140.04 103.88 4.72 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.556 0.742 . . . . 74.25 110.593 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.64 95.58 5.95 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.801 -0.444 . . . . 63.34 109.801 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 53' ' ' GLU . 83.5 mt -63.74 129.28 39.45 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.888 -0.597 . . . . 73.32 110.596 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.8 m -80.3 -77.72 0.19 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.215 0.606 . . . . 54.05 112.545 -169.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.89 -73.68 0.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.375 0.67 . . . . 64.11 111.108 -174.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.75 -32.61 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 115.856 -0.611 . . . . 60.24 110.86 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 46.5 mt-10 -53.71 -43.82 69.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.951 0.901 . . . . 75.2 111.736 172.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.6 mt -63.28 -50.05 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 122.968 0.507 . . . . 75.41 110.277 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 59' ' ' ILE . 96.1 mt -52.33 -49.41 64.32 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.744 0.817 . . . . 72.13 112.426 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.98 -44.19 94.63 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.087 0.955 . . . . 54.25 111.676 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 57' ' ' ARG . 1.2 mmp_? -62.36 -37.68 86.62 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.575 0.75 . . . . 73.31 112.08 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 36' ' ' LEU . 83.2 t -65.16 -42.6 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 122.528 0.331 . . . . 73.12 110.305 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 60.6 mt -60.95 -44.86 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.071 0.548 . . . . 73.25 110.65 175.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.24 -45.54 83.83 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.697 0.799 . . . . 72.23 111.403 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -58.14 -42.94 86.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.987 0.915 . . . . 72.43 111.603 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 58' ' ' VAL . 63.5 mt -70.69 -25.88 27.27 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 C-N-CA 122.81 0.444 . . . . 61.24 110.989 177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 90.6 mt -68.4 -29.77 68.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.889 0.475 . . . . 73.33 111.41 171.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.68 -33.97 73.29 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.981 0.512 . . . . 73.51 111.373 169.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.9 mt -71.74 -39.65 69.92 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.176 0.591 . . . . 75.12 111.289 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -93.02 169.67 10.25 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.289 1.036 . . . . 73.51 111.458 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.2 t -85.44 115.35 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 122.936 0.494 . . . . 70.15 110.939 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 CA--C 1.567 1.604 0 C-N-CA 123.483 0.713 . . . . 75.41 110.145 177.147 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.698 0.285 . . . . 72.0 111.363 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.15 74.15 0.58 Allowed Glycine 0 C--N 1.351 1.378 0 N-CA-C 111.501 -0.64 . . . . 72.13 111.501 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -148.86 139.48 22.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.824 0.85 . . . . 71.32 110.527 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' B' ' 7' ' ' HIS . 94.6 m-70 -121.36 -172.95 2.52 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.466 1.106 . . . . 71.31 110.412 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -64.49 98.16 0.24 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.68 0.392 . . . . 73.44 110.079 173.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 74.7 m80 74.72 -46.13 0.59 Allowed 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 125.877 1.671 . . . . 71.23 112.645 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' B' ' 4' ' ' HIS . 70.7 m80 -62.96 93.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.304 1.041 . . . . 71.11 112.273 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -95.48 -14.88 23.34 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.284 0.634 . . . . 75.45 111.693 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -109.49 165.03 11.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.008 0.923 . . . . 73.23 111.907 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -149.35 127.38 11.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.965 0.906 . . . . 74.24 110.161 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.9 ttm -90.49 126.97 36.09 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.672 0.789 . . . . 70.44 111.162 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.05 87.14 0.49 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.933 -0.467 . . . . 72.41 111.933 174.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.65 77.61 2.04 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 119.932 -0.371 . . . . 63.53 113.709 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.91 -87.33 0.1 Allowed Glycine 0 C--N 1.357 1.704 0 C-N-CA 123.538 0.59 . . . . 40.32 113.891 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 26.8 tptp 66.63 -76.1 0.05 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.885 1.674 . . . . 51.41 112.726 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.23 135.86 34.48 Favored Glycine 0 C--N 1.358 1.757 0 CA-C-O 118.903 -0.943 . . . . 62.11 113.596 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -68.29 148.39 74.07 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.153 2.569 . . . . 71.52 113.085 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.17 89.97 2.03 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-O 121.378 0.609 . . . . 72.22 112.066 -176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.94 25.86 4.48 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.252 1.021 . . . . 43.05 111.284 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.09 86.83 4.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.148 0.979 . . . . 70.12 110.388 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -123.39 152.75 65.01 Favored Pre-proline 0 N--CA 1.487 1.42 0 C-N-CA 123.579 0.752 . . . . 54.51 111.961 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.63 -167.83 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.957 2.438 . . . . 65.32 113.097 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.9 mt 70.02 114.18 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.284 1.434 . . . . 74.25 112.79 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -83.98 67.6 9.7 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.005 0.922 . . . . 74.52 110.349 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.6 mt 68.26 -68.99 0.16 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.982 1.713 . . . . 73.14 113.604 176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 tt -120.9 -36.87 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.703 0.801 . . . . 75.22 110.298 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.773 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 64.34 67.16 0.59 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.733 1.213 . . . . 73.13 111.501 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.77 -52.86 21.55 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.125 0.417 . . . . 65.24 112.125 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 33.5 ttm -58.83 -45.88 89.0 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.461 0.704 . . . . 61.15 111.75 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.773 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 46.6 t30 -63.7 -36.6 84.38 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.773 0.829 . . . . 65.23 111.545 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -70.35 -43.46 70.15 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.103 0.561 . . . . 75.3 110.709 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.82 -37.97 89.41 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.638 0.775 . . . . 63.0 112.122 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.3 -40.46 90.03 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.623 0.769 . . . . 64.02 111.767 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 35.5 t -67.5 -37.82 83.39 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.245 0.618 . . . . 65.51 111.126 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -68.4 -29.49 68.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.944 1.298 . . . . 62.5 111.256 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 40' ' ' VAL . 96.3 mt -60.32 -54.99 39.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.021 0.529 . . . . 72.11 109.953 165.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.662 HH12 ' HD2' ' B' ' 57' ' ' ARG . 24.0 mmt180 -63.2 -16.73 61.08 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.027 1.121 . . . . 73.12 114.027 -176.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 34' ' ' SER . 40.6 mm-40 -69.82 -44.21 70.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.233 0.54 . . . . 70.45 110.272 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.35 -19.63 26.4 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.083 -0.962 . . . . 71.44 112.05 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.458 HG21 HG22 ' B' ' 58' ' ' VAL . 61.3 t -89.19 112.12 49.28 Favored Pre-proline 0 N--CA 1.488 1.438 0 C-N-CA 123.311 0.645 . . . . 74.41 110.306 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.5 -11.07 30.35 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.629 2.219 . . . . 72.42 113.6 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.75 71.04 2.62 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 123.028 0.347 . . . . 70.12 113.45 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' B' ' 37' ' ' ARG . 21.6 t -139.96 111.48 7.35 Favored Pre-proline 0 N--CA 1.489 1.483 0 C-N-CA 123.461 0.704 . . . . 72.04 109.567 174.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.49 137.95 23.69 Favored 'Trans proline' 0 CA--C 1.558 1.702 0 C-N-CA 122.412 2.075 . . . . 61.53 112.032 174.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -68.17 138.3 55.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.732 0.413 . . . . 72.24 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.72 -28.61 3.93 Favored Glycine 0 CA--C 1.541 1.679 0 CA-C-N 116.609 -0.269 . . . . 61.21 113.638 -175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.6 m -79.51 109.26 13.72 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.185 0.994 . . . . 75.44 110.227 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -74.37 -33.78 63.18 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.49 0.716 . . . . 63.33 112.548 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt 64.37 -176.62 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.335 1.054 . . . . 71.14 112.741 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.41 ' O ' HG13 ' B' ' 54' ' ' ILE . 74.4 m -142.98 170.84 14.94 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.426 0.528 . . . . 70.54 112.426 -176.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.54 -53.89 33.12 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.251 1.421 . . . . 75.32 113.966 -170.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.28 -35.9 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.799 0.44 . . . . 73.14 111.205 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -36.08 72.17 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.763 0.825 . . . . 72.21 110.391 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.631 HG12 ' HE ' ' B' ' 37' ' ' ARG . 18.7 mt -63.58 -51.79 65.8 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 116.293 -0.412 . . . . 74.42 110.566 175.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 59' ' ' ILE . 98.2 mt -54.26 -46.71 72.71 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.227 0.611 . . . . 62.34 112.308 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -54.09 -55.96 22.61 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.46 1.104 . . . . 72.32 112.239 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.662 ' HD2' HH12 ' B' ' 37' ' ' ARG . 14.4 ttm-85 -72.72 -24.5 60.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.277 -0.874 . . . . 73.43 111.943 -172.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.458 HG22 HG21 ' B' ' 40' ' ' VAL . 67.4 t -71.85 -41.13 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.936 0.494 . . . . 62.34 110.567 171.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 68.7 mt -60.28 -50.4 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 118.063 0.392 . . . . 73.22 110.55 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -54.14 -45.8 72.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.478 0.711 . . . . 64.34 111.63 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 53.1 t80 -54.57 -49.25 70.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.824 1.25 . . . . 62.21 111.421 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.71 -38.59 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 124.281 1.032 . . . . 75.11 111.757 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 97.0 mt -65.38 -37.08 85.92 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.231 0.612 . . . . 73.2 112.428 -177.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -61.0 -46.34 91.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.878 0.471 . . . . 51.24 110.872 173.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 66.3 mt -69.89 -39.16 76.43 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.781 0.833 . . . . 54.43 112.13 -176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -70.25 -30.06 67.02 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.277 1.031 . . . . 74.22 111.687 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t 61.62 86.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 124.781 1.232 . . . . 70.22 110.964 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 CA--C 1.563 1.445 0 C-N-CA 123.759 0.824 . . . . 62.11 111.205 -175.248 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.4 -0.222 . . . . 71.24 110.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.82 73.11 0.05 OUTLIER Glycine 0 CA--C 1.533 1.166 0 N-CA-C 111.707 -0.557 . . . . 70.11 111.707 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -81.13 160.76 24.33 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.03 0.932 . . . . 72.4 111.828 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -159.38 144.08 15.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.272 0.629 . . . . 74.24 110.74 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -132.44 -176.78 4.2 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.297 1.039 . . . . 64.1 111.215 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -150.86 125.83 9.82 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.596 0.759 . . . . 72.22 110.463 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -101.88 116.64 33.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.629 0.772 . . . . 53.14 109.898 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -82.05 160.16 23.29 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.355 0.662 . . . . 74.23 110.939 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -68.16 157.66 34.89 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.62 0.768 . . . . 73.21 113.017 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -133.07 152.43 51.96 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.01 0.924 . . . . 74.24 111.254 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.4 mmt -77.47 157.21 30.59 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.408 0.683 . . . . 65.34 110.116 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.98 124.99 0.89 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 121.333 -0.461 . . . . 71.35 114.236 177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.2 67.92 0.45 Allowed Glycine 0 C--N 1.35 1.345 0 C-N-CA 123.377 0.513 . . . . 30.4 112.307 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.95 168.0 29.82 Favored Glycine 0 N--CA 1.474 1.227 0 C-N-CA 122.881 0.277 . . . . 65.14 112.95 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -156.69 160.63 39.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.947 0.499 . . . . 71.41 111.909 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.75 122.18 5.99 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-O 118.773 -1.015 . . . . 45.42 112.187 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.79 125.32 16.35 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.595 2.864 . . . . 62.12 113.441 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.2 113.71 26.11 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.757 0.823 . . . . 64.35 111.404 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.0 -44.47 14.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.117 0.967 . . . . 72.41 110.805 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 62.16 -159.4 0.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.79 1.236 . . . . 73.33 112.444 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 73.17 131.61 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.107 0 C-N-CA 125.349 1.459 . . . . 72.14 112.496 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.09 96.03 0.22 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.928 2.419 . . . . 63.21 113.194 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -117.48 154.78 30.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.698 0.799 . . . . 73.43 111.369 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -76.98 -1.73 30.23 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.919 0.888 . . . . 65.1 112.012 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.41 -48.5 71.54 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.234 1.414 . . . . 73.34 111.622 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt 63.99 163.74 0.12 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.916 1.287 . . . . 62.12 112.928 -174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -168.94 126.56 0.99 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.178 -0.919 . . . . 73.43 109.901 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.41 -44.75 80.62 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.87 0.868 . . . . 71.02 111.922 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.626 ' HB2' HG22 ' B' ' 52' ' ' VAL . 17.6 ttm -62.97 -41.02 99.42 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.926 0.89 . . . . 73.53 112.439 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.39 -40.95 96.25 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.417 0.627 . . . . 63.32 111.167 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.59 -37.04 84.07 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 123.893 0.877 . . . . 74.43 110.903 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.6 m -66.0 -40.94 91.55 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.627 0.771 . . . . 62.41 111.755 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.74 -36.65 84.19 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.749 0.82 . . . . 74.1 112.042 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 t -59.78 -49.74 76.53 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.854 -0.612 . . . . 72.14 110.699 171.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HE ' HD13 ' B' ' 59' ' ' ILE . 62.5 mtp85 -60.78 -36.47 79.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.032 0.933 . . . . 73.24 113.373 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD22 ' B' ' 55' ' ' LEU . 82.0 mt -58.99 -54.17 50.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.536 0.334 . . . . 74.23 110.481 172.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -62.78 -20.31 64.87 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.612 0.765 . . . . 73.23 112.268 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.5 mm-40 -78.79 -35.44 44.37 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.971 0.509 . . . . 74.45 111.016 175.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.2 mt -88.12 -12.94 42.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.783 0.833 . . . . 70.43 112.694 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 61' ' ' TYR . 49.8 t -102.89 101.3 20.2 Favored Pre-proline 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 63.11 110.376 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.38 -12.49 14.05 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 122.664 2.243 . . . . 63.54 112.928 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.62 54.22 4.79 Favored Glycine 0 N--CA 1.481 1.637 0 C-N-CA 123.32 0.486 . . . . 12.24 113.254 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.12 120.72 29.05 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.882 0.873 . . . . 72.1 110.281 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.88 119.58 6.82 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.622 2.215 . . . . 71.35 111.763 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -63.63 -34.63 78.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.634 0.774 . . . . 53.43 111.821 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.17 10.4 34.9 Favored Glycine 0 CA--C 1.544 1.875 0 N-CA-C 114.607 0.603 . . . . 75.54 114.607 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.7 m -103.58 -57.11 2.09 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 117.778 0.789 . . . . 73.42 111.535 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 62.91 106.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.285 1.034 . . . . 70.11 111.07 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -83.17 138.1 33.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.274 -0.875 . . . . 74.22 112.585 -172.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -98.01 -177.56 3.79 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.153 -0.684 . . . . 32.05 109.153 163.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -46.95 -51.94 15.78 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.037 1.495 . . . . 73.42 115.037 -166.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' B' ' 29' ' ' MET . 36.5 t -71.18 -40.89 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 122.852 0.461 . . . . 71.22 111.531 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.14 -28.01 68.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.33 0.652 . . . . 73.45 111.776 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 58' ' ' VAL . 73.4 mt -62.11 -52.42 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 122.608 0.363 . . . . 71.11 110.161 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD22 HD11 ' B' ' 36' ' ' LEU . 95.8 mt -52.64 -45.42 66.66 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.631 0.773 . . . . 44.14 112.19 178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.25 -51.97 67.56 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.183 -0.917 . . . . 72.41 111.578 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -66.93 -24.63 66.11 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.569 0.748 . . . . 62.22 112.652 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.7 t -68.28 -46.32 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.625 0.37 . . . . 62.2 110.044 172.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt -60.34 -44.35 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 122.884 0.474 . . . . 63.43 110.32 176.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -59.76 -42.15 92.6 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.016 0.926 . . . . 75.33 112.006 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.582 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.1 t80 -57.98 -46.91 84.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.623 0.769 . . . . 74.11 111.45 174.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 71.2 mt -65.74 -35.51 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 CA-C-N 115.766 -0.652 . . . . 72.1 110.4 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 91.4 mt -59.46 -41.43 89.68 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.216 0.606 . . . . 62.15 111.739 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.59 -34.59 67.32 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.61 0.764 . . . . 74.34 111.851 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 mt -83.81 -33.1 25.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.579 0.751 . . . . 72.11 112.405 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 77.4 mm-40 -85.85 -70.26 0.61 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.305 0.642 . . . . 73.11 111.822 -176.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.5 150.24 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.215 0.606 . . . . 61.33 111.791 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.489 1.479 0 C-N-CA 124.087 0.955 . . . . 63.21 109.155 176.508 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.35 0.119 . . . . 74.32 111.258 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.67 131.01 21.11 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 111.202 -0.759 . . . . 24.53 111.202 168.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -67.22 95.42 0.42 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 75.22 111.811 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -121.99 131.21 53.88 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.77 0.828 . . . . 74.21 109.606 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -78.88 -14.79 59.03 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.219 0.608 . . . . 72.35 111.684 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -64.05 137.06 57.81 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.979 0.911 . . . . 71.54 111.925 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 56.14 89.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.754 1.222 . . . . 62.22 112.754 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.85 108.74 20.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.905 -0.776 . . . . 75.05 108.905 167.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -67.51 139.4 56.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.241 0.617 . . . . 62.54 111.35 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -146.15 128.36 15.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.916 0.886 . . . . 75.35 110.114 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 16.5 tpt -75.47 143.29 42.67 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.638 0.775 . . . . 64.4 112.494 -169.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.29 -131.58 3.06 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.888 0.756 . . . . 73.52 111.652 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.62 55.55 4.54 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 116.875 0.337 . . . . 44.0 113.427 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.06 7.02 83.13 Favored Glycine 0 CA--C 1.543 1.837 0 N-CA-C 114.613 0.605 . . . . 74.22 114.613 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.62 134.41 41.6 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.897 0.879 . . . . 61.44 110.303 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.57 104.68 2.73 Favored Glycine 0 CA--C 1.546 2.018 0 CA-C-O 119.284 -0.731 . . . . 43.23 112.105 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.96 160.05 20.99 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.046 2.497 . . . . 71.43 113.345 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.36 78.95 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.326 0.651 . . . . 73.04 110.523 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.89 133.45 33.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.333 0.653 . . . . 72.24 110.941 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -174.47 3.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.102 0.961 . . . . 72.03 112.277 -176.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.7 119.6 47.35 Favored Pre-proline 0 CA--C 1.556 1.174 0 CA-C-N 115.597 -0.729 . . . . 60.21 109.577 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.24 93.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.932 2.422 . . . . 65.3 113.493 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -76.7 119.57 20.68 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.449 0.7 . . . . 71.55 111.953 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -126.05 -62.65 1.16 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.439 -0.949 . . . . 44.23 108.439 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp -107.21 107.62 18.66 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.444 0.698 . . . . 75.34 109.726 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.29 96.54 10.38 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 108.004 -1.11 . . . . 70.11 108.004 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.56 109.73 0.97 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.036 0.534 . . . . 74.3 111.25 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -50.41 -38.24 41.97 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 114.898 -1.046 . . . . 61.12 110.667 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.496 ' HB2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -53.78 -50.85 65.17 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.528 1.131 . . . . 62.0 112.451 170.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.26 -41.33 90.07 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.439 0.696 . . . . 73.33 111.167 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -67.09 -40.8 87.02 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.321 0.648 . . . . 45.34 110.978 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.72 -39.67 94.04 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.827 0.851 . . . . 61.11 111.781 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.57 -43.58 89.44 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.931 0.892 . . . . 74.42 112.034 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 39.5 m -58.87 -44.11 90.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.23 -0.896 . . . . 62.44 110.801 176.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -34.07 73.3 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.498 0.719 . . . . 63.12 111.694 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 55' ' ' LEU . 81.4 mt -57.21 -52.18 66.36 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.875 0.369 . . . . 73.21 110.217 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -53.21 -30.89 40.31 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.589 1.156 . . . . 72.51 112.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.7 mm-40 -78.25 -38.98 41.61 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.005 0.522 . . . . 72.23 110.87 -177.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.02 -17.85 56.59 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.501 0.72 . . . . 64.21 111.943 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.474 HG13 ' HB2' ' B' ' 61' ' ' TYR . 54.3 t -97.88 107.68 41.78 Favored Pre-proline 0 N--CA 1.488 1.47 0 C-N-CA 123.471 0.708 . . . . 71.32 111.473 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.92 -14.42 26.5 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.688 2.259 . . . . 64.2 112.665 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.05 -22.16 70.36 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 114.483 0.553 . . . . 52.31 114.483 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.93 123.0 85.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.167 0.587 . . . . 73.43 110.69 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.31 97.1 0.24 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.634 2.222 . . . . 62.44 111.963 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 58.42 -161.8 0.24 Allowed 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 124.362 1.065 . . . . 75.44 111.894 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.49 48.08 3.96 Favored Glycine 0 CA--C 1.542 1.747 0 O-C-N 121.775 -0.578 . . . . 73.11 113.298 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 86.0 m -79.85 137.38 36.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.458 0.703 . . . . 54.44 111.052 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -79.23 82.33 5.4 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.565 0.746 . . . . 72.11 109.784 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.96 163.09 28.22 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.628 -0.715 . . . . 42.14 110.677 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -62.14 141.13 58.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 109.495 -0.557 . . . . 45.51 109.495 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.96 -32.68 21.74 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.507 0.723 . . . . 72.43 112.542 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' MET . 14.0 t -71.06 -44.55 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.604 0.762 . . . . 70.33 111.226 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.22 -30.29 71.17 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.345 0.658 . . . . 73.03 111.392 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 58' ' ' VAL . 75.0 mt -64.93 -49.07 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.497 0.719 . . . . 65.23 109.924 172.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 36' ' ' LEU . 96.5 mt -53.57 -49.64 67.29 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.214 0.606 . . . . 61.5 111.663 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' B' ' 59' ' ' ILE . 79.9 mt-30 -64.35 -32.57 74.24 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.476 1.11 . . . . 75.01 112.29 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -74.15 -29.31 61.73 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 75.42 110.95 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 54' ' ' ILE . 91.7 t -72.09 -41.12 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.284 0.634 . . . . 63.1 110.169 172.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 56' ' ' GLN . 87.2 mt -58.98 -44.65 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.424 0.69 . . . . 73.44 110.21 173.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.39 -48.55 78.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.32 1.048 . . . . 73.42 111.315 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.474 ' HB2' HG13 ' B' ' 40' ' ' VAL . 55.6 t80 -56.59 -48.46 77.36 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.776 1.23 . . . . 71.51 111.846 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 73.7 mt -71.18 -37.82 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.358 0 C-N-CA 123.12 0.568 . . . . 74.25 111.455 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.19 -33.2 75.26 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.371 0.668 . . . . 61.02 111.681 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.49 -30.82 67.71 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.722 0.809 . . . . 60.21 111.173 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 89.6 mt -79.64 -43.96 21.85 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.433 0.693 . . . . 62.02 111.657 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.84 -166.42 1.48 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.287 1.035 . . . . 73.42 110.964 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.48 127.84 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.653 -0.499 . . . . 64.0 109.653 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.571 1.784 0 N-CA-C 113.319 0.859 . . . . 52.03 113.319 -177.031 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.667 0.27 . . . . 72.23 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 -87.79 1.1 Allowed Glycine 0 CA--C 1.539 1.563 0 CA-C-N 116.717 -0.22 . . . . 64.34 112.848 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -91.37 107.78 19.44 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.677 0.791 . . . . 64.01 111.008 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -83.01 152.41 25.42 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.389 0.676 . . . . 71.23 111.386 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -124.53 167.1 14.92 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.731 0.812 . . . . 64.42 111.748 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -145.48 127.03 15.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.916 0.887 . . . . 75.11 109.985 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -161.53 125.16 3.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.454 0.701 . . . . 53.35 110.012 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -102.19 -35.82 8.75 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.69 0.796 . . . . 71.41 112.162 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -70.17 99.25 1.47 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.326 0.65 . . . . 53.3 111.242 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -109.44 12.89 24.36 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.137 0.575 . . . . 64.13 112.364 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.4 ptp -140.42 141.06 35.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.391 0.677 . . . . 61.34 111.166 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.26 32.76 3.76 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 114.353 0.501 . . . . 75.4 114.353 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.58 -25.54 46.29 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-N 116.735 0.268 . . . . 73.45 112.77 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.47 127.2 8.99 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 123.018 0.342 . . . . 74.3 112.739 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -154.83 178.43 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 75.52 112.059 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.65 29.96 Favored Glycine 0 CA--C 1.54 1.65 0 CA-C-N 115.697 -0.683 . . . . 52.05 112.316 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.85 89.52 1.0 Allowed 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 122.564 2.176 . . . . 54.11 112.5 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.11 112.99 26.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.714 0.806 . . . . 61.41 110.404 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 69.26 149.39 0.07 Allowed 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.892 1.277 . . . . 72.42 113.333 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -158.1 178.88 9.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.375 0.67 . . . . 74.05 111.709 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -84.71 149.06 53.15 Favored Pre-proline 0 N--CA 1.485 1.297 0 C-N-CA 123.533 0.733 . . . . 53.12 111.177 -177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.25 -170.35 0.96 Allowed 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.734 2.289 . . . . 64.12 112.139 175.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.06 -38.7 82.74 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 122.394 -0.191 . . . . 42.24 111.188 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m 63.95 99.56 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.928 1.291 . . . . 63.14 111.103 -177.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.59 -65.4 0.57 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.591 1.156 . . . . 63.12 111.328 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -106.34 139.96 40.01 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 108.895 -0.78 . . . . 73.03 108.895 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.73 29.14 0.13 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.02 0.928 . . . . 74.33 113.017 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.65 -39.88 71.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.937 0.895 . . . . 61.34 111.916 -172.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.1 ttm -58.68 -45.16 90.02 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.953 0.901 . . . . 75.45 112.003 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -64.81 -44.19 90.72 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.41 0.684 . . . . 75.02 111.322 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.98 -40.83 97.28 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.224 0.61 . . . . 72.4 111.232 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 80.0 m -62.56 -42.38 99.5 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.683 0.793 . . . . 70.23 111.931 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -69.02 -35.98 77.26 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.527 0.731 . . . . 72.24 112.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -64.26 -42.31 96.54 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.42 0.628 . . . . 64.04 110.376 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -31.74 69.51 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.074 1.349 . . . . 74.24 111.266 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 78.4 mt -62.51 -49.07 76.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.135 0.574 . . . . 34.22 109.728 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.91 -17.86 58.21 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 112.92 0.711 . . . . 75.32 112.92 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -84.4 -39.86 18.51 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.021 0.439 . . . . 73.34 110.205 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' B' ' 62' ' ' ILE . 93.1 mt -80.25 -23.49 40.79 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.419 0.688 . . . . 73.14 112.721 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.5 t -94.17 109.94 45.29 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.626 0.77 . . . . 64.05 111.271 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.56 75.66 4.93 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.805 2.337 . . . . 45.23 111.79 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.22 13.3 0.04 OUTLIER Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.449 -0.796 . . . . 51.21 114.353 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 HD12 ' A' ' 49' ' ' LEU . 61.6 t -96.02 114.85 64.99 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.583 0.753 . . . . 72.22 109.585 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 51.1 Cg_exo -54.62 152.78 26.13 Favored 'Trans proline' 0 CA--C 1.566 2.091 0 C-N-CA 122.97 2.447 . . . . 70.53 114.846 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.28 105.44 4.68 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.296 0.638 . . . . 74.04 111.916 -175.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.58 39.47 29.83 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.147 -0.478 . . . . 62.04 113.059 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 7.3 t -84.85 -32.12 23.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.166 0.586 . . . . 72.1 112.133 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 58.0 47.73 14.39 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.123 0.969 . . . . 72.12 111.834 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 HG13 ' A' ' 43' ' ' VAL . 78.4 mt -56.63 122.23 11.57 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.435 0.294 . . . . 65.24 110.736 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -74.89 177.44 6.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.898 0.38 . . . . 55.42 111.196 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.27 -44.65 44.04 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.307 1.443 . . . . 73.14 114.15 -166.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.4 t -72.63 -43.96 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 122.852 0.461 . . . . 74.31 111.771 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.35 -29.79 70.71 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.324 0.649 . . . . 73.32 112.42 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.0 mt -63.92 -47.4 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 122.918 0.487 . . . . 75.52 110.61 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 36' ' ' LEU . 99.4 mt -56.15 -39.47 72.35 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.197 0.599 . . . . 75.41 111.978 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.87 -43.14 99.45 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 123.57 0.748 . . . . 74.31 111.19 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -67.71 -33.43 74.89 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.716 0.806 . . . . 72.14 111.994 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' B' ' 58' ' ' VAL . 91.0 t -65.4 -40.99 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 122.631 0.372 . . . . 74.03 110.502 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.46 -50.66 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 122.927 0.491 . . . . 62.41 110.206 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -50.41 -50.82 50.71 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.676 0.79 . . . . 72.24 111.714 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.484 ' HB2' HG13 ' A' ' 40' ' ' VAL . 48.6 t80 -57.49 -55.63 32.34 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.993 0.917 . . . . 72.04 112.33 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.66 -26.44 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 C-N-CA 122.855 0.462 . . . . 73.22 111.902 -174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.66 -49.76 76.48 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.007 0.523 . . . . 72.05 112.143 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.55 -31.22 71.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.383 0.673 . . . . 75.22 112.803 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.11 -40.2 71.61 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.383 0.611 . . . . 65.14 111.152 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -99.59 -160.8 0.83 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.257 -0.883 . . . . 72.45 110.567 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.74 131.48 34.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 CA-C-O 121.078 0.466 . . . . 62.2 109.876 165.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.564 1.499 0 C-N-CA 123.544 0.737 . . . . 65.52 111.009 -177.321 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.283 0.563 . . . . 71.5 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.17 58.58 0.24 Allowed Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.042 -0.526 . . . . 64.54 112.25 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -92.73 -49.74 5.93 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.37 1.068 . . . . 54.12 112.339 -176.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -154.11 -20.32 0.13 Allowed 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.579 0.955 . . . . 72.22 113.579 -172.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.31 -25.99 68.29 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 113.25 0.833 . . . . 63.24 113.25 -172.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -86.13 128.87 34.96 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.33 0.652 . . . . 73.43 111.596 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -118.61 96.11 5.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.513 0.725 . . . . 72.1 110.781 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -107.21 125.17 50.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.74 0.816 . . . . 63.31 110.751 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p -144.82 143.37 30.6 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.224 0.609 . . . . 72.33 111.151 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -139.33 115.63 10.46 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.847 0.859 . . . . 71.11 110.32 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 63.7 mtt -73.74 124.47 26.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.802 0.441 . . . . 71.31 110.693 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.36 -51.13 3.35 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 111.959 -0.456 . . . . 75.12 111.959 -171.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.23 -23.0 73.09 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 114.198 0.439 . . . . 62.13 114.198 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.5 -21.76 78.68 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 114.282 0.473 . . . . 45.32 114.282 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.86 103.48 2.22 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.551 0.74 . . . . 61.32 111.852 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.46 159.62 10.22 Favored Glycine 0 CA--C 1.544 1.873 0 CA-C-O 119.926 -0.374 . . . . 41.14 113.874 174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -90.11 -178.77 1.62 Allowed 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.442 2.761 . . . . 64.3 113.34 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.03 172.0 19.15 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.16 0.584 . . . . 43.42 111.67 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 67.58 -178.05 0.21 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.676 1.19 . . . . 64.15 112.943 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.06 -172.1 3.04 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.745 0.818 . . . . 65.22 111.3 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 126.48 92.66 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 123.201 0.6 . . . . 75.21 111.203 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -65.21 135.97 45.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.375 2.05 . . . . 63.44 111.303 170.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 74.7 mt 70.12 154.1 0.12 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 124.695 1.198 . . . . 73.34 111.515 -169.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 18.1 m 67.58 158.69 0.14 Allowed 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 124.697 1.199 . . . . 34.41 112.165 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.1 145.05 51.38 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.43 0.692 . . . . 75.51 110.806 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.75 75.11 10.36 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.433 0.693 . . . . 61.14 110.495 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.81 82.2 7.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.348 -0.842 . . . . 74.31 109.918 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.53 -35.05 39.08 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.281 1.032 . . . . 65.13 111.438 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.61 ' HG2' HG22 ' A' ' 52' ' ' VAL . 5.1 mtp -60.77 -48.52 81.43 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.284 -0.871 . . . . 74.22 111.811 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.72 -31.8 72.69 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.429 0.692 . . . . 72.11 111.557 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -67.77 -39.24 84.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.654 0.381 . . . . 73.1 111.356 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.08 -44.97 75.08 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.226 0.61 . . . . 71.4 111.234 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -59.41 -37.87 79.13 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.553 1.141 . . . . 73.44 111.805 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.42 -43.95 95.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.476 0.71 . . . . 42.14 110.955 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -69.82 -30.61 68.17 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.054 0.542 . . . . 63.25 111.731 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 55' ' ' LEU . 90.7 mt -62.37 -44.14 97.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.165 -0.309 . . . . 53.22 110.165 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.476 HH12 ' HB2' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -68.91 -7.59 36.31 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 112.901 0.704 . . . . 62.24 112.901 177.624 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -93.47 -39.13 11.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.465 0.706 . . . . 71.43 110.134 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.67 -11.18 54.44 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.362 -0.836 . . . . 70.43 112.799 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.49 94.9 24.46 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 123.333 0.653 . . . . 61.23 111.112 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.23 -5.11 16.6 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.677 2.251 . . . . 74.44 113.019 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.37 56.39 4.41 Favored Glycine 0 C--N 1.359 1.827 0 CA-C-O 121.395 0.441 . . . . 74.51 112.866 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 49' ' ' LEU . 74.4 t -131.73 126.07 20.74 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 124.973 1.309 . . . . 72.32 109.156 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.37 135.57 68.75 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.581 2.187 . . . . 73.24 112.277 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -69.14 146.83 52.16 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.142 0.577 . . . . 65.4 111.743 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.11 42.17 98.17 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-N 116.35 -0.386 . . . . 71.04 113.333 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -135.19 116.46 14.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.32 0.648 . . . . 72.45 111.128 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -85.06 114.38 22.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.594 0.757 . . . . 53.25 110.147 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 43' ' ' VAL . 84.6 mt -96.18 122.5 39.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.967 0.507 . . . . 75.43 111.784 -176.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.4 m -78.63 174.91 10.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.702 0.801 . . . . 70.03 110.614 173.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -49.46 -51.4 36.0 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.91 1.448 . . . . 71.42 114.91 -172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.73 -40.65 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 122.586 0.354 . . . . 72.03 110.527 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.41 -37.57 67.8 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.938 0.895 . . . . 71.21 111.813 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.15 -51.32 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.481 0.712 . . . . 63.51 111.065 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.93 -44.15 78.05 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.028 0.931 . . . . 64.14 111.967 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -62.82 -41.96 99.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.943 0.897 . . . . 72.55 111.64 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.476 ' HB2' HH12 ' B' ' 37' ' ' ARG . 1.7 mmp_? -71.91 -29.76 64.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.782 0.833 . . . . 72.12 112.184 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' A' ' 58' ' ' VAL . 55.6 t -68.28 -52.93 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.713 0.405 . . . . 52.42 110.222 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.34 -47.93 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.612 0.765 . . . . 64.43 111.131 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -57.44 -42.99 83.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.606 0.763 . . . . 72.05 111.916 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.45 -46.31 89.11 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.988 0.915 . . . . 74.22 112.105 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 39' ' ' LEU . 82.3 mt -64.72 -40.01 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 122.925 0.49 . . . . 73.42 110.918 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.94 -31.82 72.66 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.439 0.696 . . . . 64.4 111.436 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.05 -32.84 74.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.427 0.691 . . . . 74.52 111.158 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -83.76 -41.39 17.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.057 0.543 . . . . 55.04 112.325 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -79.06 -58.57 3.17 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.246 0.619 . . . . 62.03 111.327 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.43 85.75 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 122.119 0.962 . . . . 75.13 110.377 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.567 1.598 0 CA-C-N 114.596 -1.183 . . . . 55.15 110.195 176.79 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.354 0.121 . . . . 71.55 110.684 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.04 138.03 13.71 Favored Glycine 0 N--CA 1.474 1.206 0 CA-C-O 119.896 -0.391 . . . . 51.23 112.562 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.11 81.93 6.27 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-O 121.648 0.737 . . . . 72.3 111.063 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -134.37 170.48 15.67 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.364 1.065 . . . . 74.3 110.156 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -85.59 92.37 8.53 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.242 0.617 . . . . 71.5 109.74 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -72.55 94.33 1.68 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.337 0.589 . . . . 65.22 111.9 -173.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -126.37 97.4 5.04 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.914 0.886 . . . . 73.15 109.548 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.63 98.42 1.16 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.958 0.503 . . . . 75.53 109.86 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 m -82.89 127.72 33.76 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.176 0.591 . . . . 74.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -152.98 126.9 8.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.829 0.852 . . . . 71.33 110.405 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.6 mtt -131.91 168.16 18.35 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.619 0.768 . . . . 73.44 110.703 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.44 115.52 0.64 Allowed Glycine 0 CA--C 1.536 1.386 0 CA-C-O 120.083 -0.287 . . . . 71.25 112.388 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.3 52.32 0.06 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.08 0.371 . . . . 60.21 112.538 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.04 167.38 45.62 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 122.784 0.23 . . . . 52.13 113.535 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -149.0 150.86 33.54 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.676 0.79 . . . . 74.25 110.626 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.45 -164.52 25.72 Favored Glycine 0 CA--C 1.543 1.835 0 CA-C-O 119.965 -0.353 . . . . 74.23 113.87 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.06 162.49 20.49 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.873 2.382 . . . . 75.02 113.171 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.76 106.06 0.95 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.832 0.853 . . . . 62.44 110.007 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.62 138.44 34.38 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.33 0.652 . . . . 53.04 111.461 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 67.51 134.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.702 1.601 . . . . 74.23 113.549 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.52 113.65 64.45 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 123.849 0.86 . . . . 73.34 110.251 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.28 133.83 3.39 Favored 'Trans proline' 0 C--N 1.37 1.662 0 C-N-CA 122.837 2.358 . . . . 71.43 113.085 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 27' ' ' ASP . 66.3 mt 69.15 130.43 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 124.999 1.319 . . . . 73.15 112.986 172.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.8 t -149.97 -54.53 0.16 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.925 -0.485 . . . . 75.1 112.057 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.86 -67.11 0.78 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.164 0.586 . . . . 71.55 110.189 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -108.45 94.98 5.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.635 0.774 . . . . 64.22 109.443 171.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HA ' ' HB3' ' A' ' 23' ' ' LEU . 2.3 m-20 -73.2 112.31 9.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.7 0.8 . . . . 65.14 109.587 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.6 -40.14 62.37 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.342 1.057 . . . . 72.12 111.875 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' HG22 ' B' ' 52' ' ' VAL . 21.7 ttm -59.38 -47.16 86.48 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.645 0.778 . . . . 74.31 112.18 173.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.03 -43.07 96.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.454 0.702 . . . . 63.12 110.966 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.72 -37.45 79.48 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.76 0.824 . . . . 72.43 111.595 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.1 m -64.9 -40.1 94.55 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.387 0.675 . . . . 64.32 111.363 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -62.62 -41.43 99.0 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.726 0.81 . . . . 73.52 112.135 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -58.8 -48.06 82.58 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.349 0.66 . . . . 64.41 110.929 173.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -66.47 -34.84 78.83 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.075 0.95 . . . . 70.22 112.433 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . 52.9 mt -59.75 -55.02 39.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.168 0.587 . . . . 53.22 110.345 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -34.98 68.01 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.331 1.052 . . . . 73.42 110.423 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.11 -39.25 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.63 0.772 . . . . 75.44 111.565 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.03 -13.87 61.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.799 0.84 . . . . 71.2 112.174 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 57' ' ' ARG . 57.0 t -101.88 109.48 59.79 Favored Pre-proline 0 CA--C 1.564 1.487 0 C-N-CA 123.708 0.803 . . . . 75.12 111.779 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.32 -16.63 15.27 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 123.171 2.581 . . . . 73.44 112.965 170.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 55.07 5.0 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 123.373 0.511 . . . . 70.43 113.585 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.44 132.34 24.28 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.898 1.279 . . . . 63.3 108.978 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.2 122.51 11.68 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.607 2.205 . . . . 41.51 112.02 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -58.87 124.3 19.36 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.678 0.791 . . . . 74.54 111.12 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.62 -2.48 73.51 Favored Glycine 0 N--CA 1.477 1.384 0 N-CA-C 114.329 0.492 . . . . 64.11 114.329 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.1 m -95.86 126.15 40.91 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.452 0.701 . . . . 53.34 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -71.42 -31.12 66.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.654 0.782 . . . . 74.11 111.993 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt 67.01 -171.92 0.19 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.762 1.225 . . . . 72.4 112.312 -176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.648 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 61.9 m -132.52 175.47 9.27 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.831 1.252 . . . . 74.32 110.501 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -57.79 -47.36 82.79 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.644 0.778 . . . . 73.41 111.957 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.1 t -71.94 -39.38 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 115.57 -0.741 . . . . 74.35 111.009 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.648 ' HB2' ' H ' ' A' ' 50' ' ' SER . 42.3 mm-40 -53.13 -48.66 67.72 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.778 0.831 . . . . 73.0 112.084 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -58.11 -45.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 73.51 111.486 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 HD11 ' B' ' 36' ' ' LEU . 94.4 mt -51.28 -49.05 62.01 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.798 0.439 . . . . 72.42 111.687 172.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.28 -45.64 93.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.583 0.753 . . . . 72.03 111.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.671 ' HB3' HG11 ' A' ' 40' ' ' VAL . 30.2 mmt180 -59.64 -36.91 77.31 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.975 0.91 . . . . 74.51 111.334 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' B' ' 58' ' ' VAL . 94.1 t -69.48 -42.67 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.564 0.746 . . . . 74.52 111.479 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.556 HD13 ' HE ' ' B' ' 35' ' ' ARG . 88.2 mt -58.16 -50.75 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 122.92 0.488 . . . . 64.55 110.262 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -62.16 -36.02 80.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.774 0.83 . . . . 74.44 112.49 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.582 0.753 . . . . 72.5 111.4 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.58 HG21 ' HB3' ' B' ' 39' ' ' LEU . 55.0 mt -73.34 -35.88 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.841 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -58.81 -33.88 70.87 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.275 0.63 . . . . 74.04 111.67 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -37.64 88.23 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 123.677 0.791 . . . . 73.31 111.025 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 mt -79.24 -32.92 43.95 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.749 0.819 . . . . 72.23 112.159 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.25 143.82 29.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.855 0.862 . . . . 73.04 111.291 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t 62.03 105.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 125.54 1.536 . . . . 73.43 112.726 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.563 1.47 0 C-N-CA 123.297 0.639 . . . . 64.02 110.099 175.855 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.496 0.188 . . . . 72.13 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.89 36.78 0.09 OUTLIER Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.558 -0.292 . . . . 70.42 113.742 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.87 100.31 4.76 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.009 0.524 . . . . 75.32 110.403 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -156.72 149.39 23.6 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.353 0.661 . . . . 72.13 110.576 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -78.97 94.75 5.31 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.942 0.897 . . . . 74.53 110.38 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -155.69 103.28 2.26 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.467 0.707 . . . . 71.52 110.746 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -86.9 -8.42 57.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.813 0.845 . . . . 72.51 112.282 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -83.11 8.17 13.82 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.549 0.74 . . . . 73.21 112.708 -173.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.418 ' HA ' ' SD ' ' B' ' 11' ' ' MET . 52.7 m -65.83 82.29 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.034 0.934 . . . . 64.12 111.358 174.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -139.08 33.22 2.14 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.57 1.148 . . . . 62.42 109.944 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' MET . . . . . 0.418 ' SD ' ' HA ' ' B' ' 9' ' ' SER . 1.7 mpt? -75.08 110.61 9.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.812 0.845 . . . . 62.33 111.236 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.87 173.72 17.03 Favored Glycine 0 N--CA 1.476 1.338 0 CA-C-N 116.494 -0.321 . . . . 73.23 112.97 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.52 -105.31 0.19 Allowed Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.939 -0.367 . . . . 52.33 112.292 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.44 34.36 68.23 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.913 0.356 . . . . 71.1 113.312 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -88.99 50.34 1.94 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.751 0.82 . . . . 72.53 111.533 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.63 63.19 4.23 Favored Glycine 0 CA--C 1.546 2.016 0 CA-C-N 115.48 -0.782 . . . . 64.54 113.431 -173.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.65 98.7 1.07 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.673 2.249 . . . . 54.55 112.906 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 173.36 9.16 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.597 -0.729 . . . . 61.13 112.181 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.51 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 125.368 1.467 . . . . 73.52 111.513 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.96 -16.01 60.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.125 0.97 . . . . 65.32 113.3 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.97 144.57 98.86 Favored Pre-proline 0 CA--C 1.564 1.507 0 C-N-CA 123.421 0.688 . . . . 64.33 110.525 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.44 118.34 5.2 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.836 2.357 . . . . 34.11 112.555 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.05 134.23 37.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.581 0.752 . . . . 40.52 111.434 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.5 p -88.53 8.39 28.37 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.035 0.934 . . . . 72.12 112.573 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.0 mt 65.62 -179.58 0.19 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 125.012 1.325 . . . . 71.34 113.185 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -151.63 -58.67 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.251 -1.018 . . . . 72.32 108.251 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 63.47 112.6 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.233 1.413 . . . . 70.24 112.339 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.97 -34.38 69.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.169 0.988 . . . . 62.42 112.003 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.644 ' HG2' HG22 ' A' ' 52' ' ' VAL . 48.3 mtp -68.71 -39.85 80.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.788 0.435 . . . . 73.54 111.243 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.16 -28.65 64.42 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.222 0.609 . . . . 74.34 110.641 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -61.59 -44.57 96.77 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.434 0.694 . . . . 74.43 110.374 170.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.48 -38.26 84.12 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.396 0.679 . . . . 73.12 112.102 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.62 -35.23 80.33 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.918 0.887 . . . . 61.53 112.096 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -63.26 -46.24 87.79 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.108 0.563 . . . . 62.33 110.744 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.556 ' HE ' HD13 ' A' ' 59' ' ' ILE . 13.6 mtp180 -61.88 -34.37 75.89 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.871 0.869 . . . . 72.24 112.772 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 55' ' ' LEU . 88.6 mt -60.34 -54.26 47.75 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.733 0.413 . . . . 71.35 110.38 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -66.35 -12.16 55.23 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.6 0.963 . . . . 75.34 113.6 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.91 -29.38 20.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 120.924 0.393 . . . . 75.44 111.048 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.1 mt -96.33 -5.45 39.98 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.243 1.017 . . . . 54.13 112.779 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 61' ' ' TYR . 62.1 t -111.34 97.69 36.83 Favored Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 123.063 0.545 . . . . 63.35 110.959 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -82.63 -5.59 11.63 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.146 2.564 . . . . 53.21 113.115 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.37 50.08 4.34 Favored Glycine 0 C--N 1.359 1.849 0 C-N-CA 123.08 0.371 . . . . 43.5 112.782 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 HG12 ' B' ' 40' ' ' VAL . 95.0 t -129.68 135.43 27.51 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.727 1.211 . . . . 74.45 109.412 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.01 124.78 16.43 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.454 2.103 . . . . 71.42 111.098 170.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 6.3 mpt_? -75.34 130.41 38.99 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.26 0.624 . . . . 72.21 111.073 -171.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.02 21.94 54.0 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 116.023 -0.535 . . . . 73.32 113.89 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -93.94 177.13 6.08 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.194 0.598 . . . . 72.54 111.041 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -117.78 101.0 7.96 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.484 0.713 . . . . 71.53 110.216 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.07 113.29 25.23 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.975 0.51 . . . . 55.13 111.556 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 165.65 21.7 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 115.803 -0.635 . . . . 54.22 110.272 165.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -55.98 -34.44 65.74 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.668 0.787 . . . . 70.11 113.017 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 29' ' ' MET . 48.3 t -71.88 -44.58 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.071 0.548 . . . . 75.32 110.633 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.6 mm-40 -59.42 -37.39 77.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.859 0.864 . . . . 71.44 112.172 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.1 mt -57.8 -52.12 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.664 0.786 . . . . 73.45 110.718 176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.434 HD22 HD11 ' A' ' 36' ' ' LEU . 91.7 mt -53.02 -42.68 65.9 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.738 0.815 . . . . 63.42 111.775 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.09 -47.95 82.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.814 0.846 . . . . 74.33 112.131 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 53' ' ' GLU . 19.2 mmt-85 -69.7 -24.7 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.955 0.502 . . . . 74.51 111.875 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -68.17 -44.84 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 122.834 0.454 . . . . 53.13 110.448 170.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.32 -46.57 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.966 0.506 . . . . 62.21 110.76 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -56.52 -42.97 79.31 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.899 0.879 . . . . 74.31 111.567 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.566 ' HB2' HG13 ' B' ' 40' ' ' VAL . 59.3 t80 -58.3 -55.31 36.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.3 1.04 . . . . 73.44 111.72 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 82.4 mt -62.72 -48.77 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.346 0.658 . . . . 63.53 111.365 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.59 -35.05 75.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.386 0.674 . . . . 72.33 111.989 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.85 -30.66 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.593 0.757 . . . . 73.03 111.622 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.64 -36.67 28.59 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.33 0.652 . . . . 73.31 111.719 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 16.6 mm100 -70.92 -67.39 0.51 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 64.23 111.808 -175.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.18 153.34 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.885 0.874 . . . . 71.34 111.754 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.565 1.529 0 C-N-CA 123.592 0.757 . . . . 73.23 112.354 178.197 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 111.26 0.096 . . . . 71.14 111.26 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.16 65.23 2.51 Favored Glycine 0 C--N 1.351 1.367 0 O-C-N 123.226 0.329 . . . . 72.21 113.215 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -144.54 132.92 21.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.734 0.814 . . . . 54.44 110.354 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -133.31 131.45 40.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.548 0.739 . . . . 73.33 109.264 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -86.7 157.4 19.66 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.091 0.472 . . . . 71.24 110.898 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -126.47 27.1 6.22 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 122.135 0.969 . . . . 73.0 109.882 176.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -92.58 104.77 17.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.407 -0.815 . . . . 54.24 110.467 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -154.3 150.2 27.74 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.06 0.544 . . . . 75.32 110.811 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 m -145.94 109.8 4.87 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.134 0.974 . . . . 64.24 110.796 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -126.56 119.22 26.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.245 0.618 . . . . 75.01 109.758 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.6 ttp -102.17 124.52 47.91 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.848 0.859 . . . . 71.45 110.422 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -117.53 0.52 Allowed Glycine 0 CA--C 1.534 1.25 0 CA-C-O 119.88 -0.4 . . . . 64.02 112.361 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.21 -118.37 4.61 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-O 119.763 -0.465 . . . . 32.21 112.814 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.92 -148.97 48.77 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 116.979 0.389 . . . . 51.45 113.244 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.79 101.75 13.63 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.154 0.582 . . . . 75.23 110.193 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -161.72 115.12 0.64 Allowed Glycine 0 CA--C 1.543 1.798 0 CA-C-O 119.099 -0.834 . . . . 75.44 112.765 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.68 107.84 2.28 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 123.277 2.651 . . . . 60.4 112.125 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -112.6 -170.25 1.63 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.554 0.742 . . . . 71.32 111.946 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.3 -173.34 4.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.915 0.886 . . . . 65.33 110.78 -176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.15 84.39 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.327 1.06 . . . . 63.32 111.619 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -115.38 160.63 33.61 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 124.663 1.185 . . . . 71.1 111.275 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -81.25 -146.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.511 2.14 . . . . 64.0 110.778 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.58 67.52 8.67 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-O 121.172 0.511 . . . . 64.42 110.103 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -163.68 172.43 14.25 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.72 0.808 . . . . 61.11 111.429 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? 70.95 -77.35 0.06 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.199 1.399 . . . . 64.23 111.952 170.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 27' ' ' ASP . 5.4 tt -144.07 145.8 32.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.055 -1.091 . . . . 63.52 108.055 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' N ' HD23 ' A' ' 26' ' ' LEU . 5.6 m-20 -71.86 74.91 0.88 Allowed 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.265 0.626 . . . . 71.42 111.021 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.24 -44.04 89.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.701 0.801 . . . . 63.42 109.795 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 ttm -53.15 -45.52 68.46 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.343 1.057 . . . . 42.15 112.577 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -45.3 85.44 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.398 0.679 . . . . 62.1 110.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.85 -45.26 95.24 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.939 0.896 . . . . 75.3 110.917 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -64.26 -39.27 93.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.501 1.12 . . . . 44.34 112.45 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 -44.99 95.47 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.392 0.677 . . . . 75.44 111.958 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 22.8 t -64.71 -41.83 95.72 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.874 -0.603 . . . . 65.41 110.368 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' HD3' HD13 ' B' ' 59' ' ' ILE . 50.1 ttt180 -63.09 -34.47 77.66 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.577 1.151 . . . . 70.5 112.454 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 68.8 mt -61.69 -52.31 64.83 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.242 0.544 . . . . 70.0 109.745 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' NH1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.39 -22.28 66.9 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.483 1.113 . . . . 53.3 111.814 -174.304 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' SER . 48.7 mm-40 -66.31 -41.89 89.07 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.451 0.7 . . . . 74.24 110.763 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.8 mt -93.11 -3.44 54.11 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.858 -1.065 . . . . 53.41 113.213 -170.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 36' ' ' LEU . 45.9 t -100.55 102.36 18.66 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 122.823 0.449 . . . . 75.44 111.45 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.79 -9.58 14.45 Favored 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.515 2.143 . . . . 70.33 112.394 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 -10.01 58.33 Favored Glycine 0 C--N 1.361 1.937 0 C-N-CA 123.461 0.553 . . . . 75.5 114.295 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 HD11 ' A' ' 49' ' ' LEU . 79.8 t -56.48 125.34 66.15 Favored Pre-proline 0 CA--C 1.565 1.523 0 C-N-CA 123.838 0.855 . . . . 75.22 111.324 172.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.22 149.54 88.57 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.301 2.0 . . . . 62.25 112.787 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.43 111.8 2.47 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.567 1.147 . . . . 62.3 112.999 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.48 81.43 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.184 0.834 . . . . 73.11 115.184 173.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -82.99 141.98 31.7 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.323 0.561 . . . . 73.0 111.166 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -53.4 51.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.209 1.004 . . . . 73.13 111.589 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.537 HD11 HG13 ' A' ' 43' ' ' VAL . 44.0 mt 66.63 121.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.687 1.595 . . . . 74.03 114.283 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -75.74 161.37 29.11 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.469 0.707 . . . . 74.45 110.484 167.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.84 -26.49 68.64 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.892 0.477 . . . . 73.41 111.427 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.632 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.9 t -71.63 -42.96 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 115.939 -0.573 . . . . 74.11 110.065 174.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.884 -0.598 . . . . 34.32 111.417 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.9 mt -55.45 -52.96 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.879 0.472 . . . . 71.33 110.488 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD22 HD11 ' B' ' 36' ' ' LEU . 94.6 mt -54.62 -48.57 72.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.743 0.817 . . . . 73.45 112.538 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 59' ' ' ILE . 54.2 mt-30 -68.41 -35.67 77.99 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.76 0.824 . . . . 63.33 112.554 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 94.5 mtt-85 -78.78 -18.76 53.64 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.306 0.642 . . . . 72.25 112.014 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.3 t -72.86 -41.25 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 109.853 -0.425 . . . . 74.24 109.853 166.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -55.02 -53.99 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 109.451 -0.574 . . . . 75.23 109.451 170.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 57' ' ' ARG . 22.1 t70 -52.86 -43.24 65.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.64 1.576 . . . . 75.33 112.617 175.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HB2' HG13 ' A' ' 40' ' ' VAL . 43.8 t80 -58.79 -51.03 71.72 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.531 1.133 . . . . 73.0 111.611 175.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 39' ' ' LEU . 88.5 mt -64.76 -35.1 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.066 0.946 . . . . 75.55 111.524 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 83.1 mt -65.41 -34.56 78.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.378 0.671 . . . . 63.35 111.517 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.74 -36.5 67.75 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.657 0.783 . . . . 61.34 111.309 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.82 -45.8 92.27 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.494 0.664 . . . . 75.51 111.382 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -85.8 -176.2 5.92 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 114.715 -1.13 . . . . 73.12 111.391 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.16 138.83 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 122.639 0.376 . . . . 71.45 110.618 172.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.565 1.52 0 C-N-CA 123.527 0.731 . . . . 63.04 110.703 -178.777 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.338 0.113 . . . . 73.23 110.784 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.16 -47.55 3.69 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 113.94 0.336 . . . . 61.24 113.94 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.41 0.684 . . . . 62.03 112.645 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -82.82 177.95 8.41 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.541 0.941 . . . . 74.35 113.541 -169.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -110.04 168.74 9.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.125 1.37 . . . . 74.41 110.488 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -128.54 164.11 23.53 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.119 0.567 . . . . 74.21 111.977 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -103.88 9.5 36.79 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.845 0.858 . . . . 65.14 111.721 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -78.34 157.83 29.0 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.316 0.647 . . . . 72.1 111.221 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -59.1 129.35 41.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.492 0.717 . . . . 55.52 111.258 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -148.98 154.36 39.25 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.249 0.619 . . . . 74.43 111.701 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -100.29 -172.3 2.19 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.201 1.001 . . . . 72.33 110.81 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.92 -21.37 36.4 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 116.226 -0.443 . . . . 64.15 113.959 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.97 -75.29 2.3 Favored Glycine 0 C--N 1.351 1.376 0 C-N-CA 123.144 0.402 . . . . 43.15 113.369 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 119.28 0.5 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.586 -0.605 . . . . 73.03 111.586 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -159.63 160.42 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.229 0.611 . . . . 64.24 110.972 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.27 86.02 0.08 OUTLIER Glycine 0 N--CA 1.479 1.558 0 CA-C-O 119.287 -0.73 . . . . 75.04 112.739 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.73 141.28 24.42 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 123.192 2.595 . . . . 50.52 112.533 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.02 137.69 33.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.408 0.683 . . . . 70.44 112.373 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -26.89 28.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.966 0.906 . . . . 63.41 112.1 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.39 134.56 45.49 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.696 0.398 . . . . 73.21 110.906 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.49 152.38 45.58 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.267 0.627 . . . . 74.44 111.132 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.64 -177.11 1.68 Allowed 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.963 2.442 . . . . 61.02 113.112 172.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt 61.66 15.62 7.06 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.627 1.171 . . . . 61.54 114.03 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -77.11 120.79 22.68 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.567 0.747 . . . . 54.23 110.574 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mp 62.35 98.37 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.052 1.341 . . . . 42.43 112.126 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -167.99 -64.08 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.371 1.068 . . . . 70.32 110.099 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 57.55 91.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.799 1.24 . . . . 75.22 110.618 -171.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.92 -30.84 69.32 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.847 0.859 . . . . 72.24 111.883 -175.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 52' ' ' VAL . 43.0 mtp -73.21 -32.95 65.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.456 0.702 . . . . 64.41 112.168 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.56 -33.8 76.76 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.223 0.609 . . . . 73.21 111.17 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -59.28 -45.09 92.19 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.311 0.644 . . . . 75.25 110.499 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 m -66.57 -44.0 83.47 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.902 -1.045 . . . . 42.42 111.567 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.33 -44.68 95.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.295 1.038 . . . . 74.03 112.663 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 50.2 m -58.19 -45.7 87.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.707 0.803 . . . . 62.23 110.52 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.02 -32.4 70.55 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.808 1.243 . . . . 73.42 112.348 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.625 HD11 HD22 ' A' ' 55' ' ' LEU . 84.3 mt -58.32 -54.32 48.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.147 0.579 . . . . 75.12 110.439 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.417 ' HG2' HG21 ' B' ' 43' ' ' VAL . 10.4 ttp85 -55.14 -33.91 63.3 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.781 1.232 . . . . 71.13 112.577 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 34' ' ' SER . 24.2 mm-40 -67.96 -33.13 74.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.596 0.758 . . . . 74.52 111.578 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.485 ' HB3' HG21 ' A' ' 62' ' ' ILE . 91.8 mt -89.12 1.33 55.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.888 0.875 . . . . 73.12 112.45 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.7 t -110.05 100.3 43.0 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 123.297 0.639 . . . . 73.22 111.764 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -67.74 -8.45 22.47 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 123.131 2.554 . . . . 74.42 113.448 169.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.02 0.87 57.54 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 114.026 0.371 . . . . 44.03 114.026 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 37' ' ' ARG . 97.6 t -81.13 117.39 67.92 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.779 0.832 . . . . 73.12 110.316 170.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.81 151.16 85.07 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.912 2.408 . . . . 63.32 113.167 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -72.71 99.52 2.61 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.464 0.706 . . . . 72.33 110.102 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.19 75.07 1.26 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-N 116.316 -0.402 . . . . 65.13 112.485 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -140.56 173.06 11.87 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.957 0.903 . . . . 62.12 111.524 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -120.59 112.8 19.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.812 0.845 . . . . 71.31 110.359 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.24 102.28 6.38 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.703 0.801 . . . . 74.44 110.317 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 34.9 m -79.36 -75.13 0.26 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.783 0.433 . . . . 74.32 110.841 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -147.01 -55.76 0.25 Allowed 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 123.474 0.71 . . . . 73.14 110.948 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.12 -45.21 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.33 0.652 . . . . 53.42 110.393 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.64 -36.4 83.71 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.693 -1.139 . . . . 62.24 111.146 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.431 ' O ' HG23 ' B' ' 58' ' ' VAL . 58.8 mt -59.49 -50.39 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.358 0.663 . . . . 75.43 110.704 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 36' ' ' LEU . 95.9 mt -55.33 -42.37 73.69 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.281 0.632 . . . . 63.33 112.001 177.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -66.13 -35.88 81.68 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.975 0.91 . . . . 63.53 111.766 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -70.56 -34.28 72.05 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.888 0.475 . . . . 72.03 111.415 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.432 HG11 HG11 ' A' ' 58' ' ' VAL . 93.7 t -67.61 -44.77 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.016 0.526 . . . . 55.04 110.773 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.489 HD13 ' HD3' ' A' ' 35' ' ' ARG . 70.1 mt -60.55 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.932 -0.396 . . . . 75.2 109.932 174.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -56.22 -37.97 70.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.066 0.946 . . . . 43.24 111.892 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.531 ' HB2' HG13 ' B' ' 40' ' ' VAL . 77.6 t80 -64.06 -46.7 83.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.946 0.898 . . . . 75.23 111.708 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 58' ' ' VAL . 52.8 mt -67.93 -39.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 120.859 0.361 . . . . 73.22 110.266 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.85 -32.43 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.186 0.994 . . . . 61.23 111.589 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.65 -38.03 89.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.136 0.974 . . . . 61.54 111.226 176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.48 -39.61 22.24 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.848 -0.615 . . . . 51.22 111.923 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -87.57 -67.34 0.83 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.48 0.712 . . . . 74.2 112.05 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.98 107.58 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.806 0.843 . . . . 54.51 111.53 -171.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 CA--C 1.569 1.678 0 C-N-CA 123.506 0.723 . . . . 71.43 112.459 178.038 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.735 0.302 . . . . 64.3 111.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.57 44.02 0.02 OUTLIER Glycine 0 N--CA 1.47 0.918 0 CA-C-N 115.676 -0.693 . . . . 71.14 111.588 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -63.87 127.32 30.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.959 0.903 . . . . 62.03 112.152 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -143.67 152.26 41.12 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.162 0.585 . . . . 74.21 110.125 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.45 -2.1 58.41 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.255 0.835 . . . . 75.53 113.255 -169.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -91.84 137.93 31.97 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.527 0.731 . . . . 71.04 111.128 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -125.38 114.23 18.59 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.838 0.855 . . . . 64.21 110.442 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -168.46 145.75 3.98 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.284 0.633 . . . . 73.54 111.313 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -152.59 -49.47 0.1 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.832 0.853 . . . . 71.42 110.876 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 63.11 23.38 13.91 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 124.192 0.997 . . . . 73.32 111.193 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.13 123.51 24.57 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.027 0.531 . . . . 64.41 110.845 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.73 108.94 0.33 Allowed Glycine 0 CA--C 1.534 1.259 0 CA-C-N 116.163 -0.472 . . . . 61.14 111.975 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.96 70.06 0.46 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 116.935 0.367 . . . . 54.41 112.766 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.84 -156.19 11.79 Favored Glycine 0 N--CA 1.478 1.498 0 C-N-CA 122.933 0.301 . . . . 61.13 113.232 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -80.04 120.65 24.49 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.158 0.583 . . . . 72.43 110.781 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.18 167.28 53.27 Favored Glycine 0 CA--C 1.541 1.668 0 CA-C-O 119.907 -0.385 . . . . 41.21 113.831 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -84.36 178.89 4.84 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 123.373 2.715 . . . . 53.02 113.451 -178.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.38 137.49 32.29 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.457 0.703 . . . . 75.02 110.539 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 110.29 8.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.798 0.439 . . . . 72.44 112.152 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.17 -170.45 1.16 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.844 0.858 . . . . 74.11 111.057 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.92 125.85 84.36 Favored Pre-proline 0 CA--C 1.564 1.489 0 O-C-N 122.205 -0.309 . . . . 72.0 110.391 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.31 81.19 1.24 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.995 2.464 . . . . 72.24 113.664 -171.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt 55.99 -87.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.054 1.342 . . . . 65.01 113.282 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -99.04 89.29 4.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.463 0.705 . . . . 74.31 111.082 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -20.13 62.17 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.678 0.791 . . . . 64.44 109.89 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.89 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.168 0.987 . . . . 64.34 110.737 171.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 63.84 62.51 0.89 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.801 1.24 . . . . 75.53 112.146 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.23 -30.98 72.02 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.88 0.472 . . . . 61.41 111.085 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.599 ' HG2' HG22 ' B' ' 52' ' ' VAL . 40.8 mtp -64.3 -35.66 81.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.785 -0.643 . . . . 73.21 111.288 177.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -64.01 -33.12 75.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.338 0.655 . . . . 52.11 111.508 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -63.19 -37.97 89.33 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.883 0.473 . . . . 70.42 111.137 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -71.75 -43.93 64.96 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.659 0.784 . . . . 65.25 111.879 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -64.09 -33.12 75.05 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.832 0.853 . . . . 73.21 111.693 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -55.44 -47.53 75.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.724 0.809 . . . . 74.41 111.093 172.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -31.64 61.56 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.34 -0.845 . . . . 75.44 111.345 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.3 mt -62.92 -27.1 69.15 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.294 0.497 . . . . 62.43 111.504 174.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -68.66 -30.84 69.62 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.798 0.332 . . . . 71.11 111.555 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.78 -31.94 25.65 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.842 0.857 . . . . 52.35 111.034 -175.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' B' ' 62' ' ' ILE . 57.7 mt -75.01 -19.45 60.06 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.083 0.953 . . . . 74.3 112.237 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.603 HG11 ' HG2' ' A' ' 57' ' ' ARG . 13.2 t -111.79 97.3 37.0 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 123.37 0.668 . . . . 54.41 109.925 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.38 -18.48 20.37 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.581 2.188 . . . . 54.03 113.143 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.82 4.77 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.051 0.358 . . . . 34.04 113.312 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.76 116.88 67.22 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.806 0.842 . . . . 65.43 109.561 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.89 125.66 19.72 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 122.957 2.438 . . . . 73.0 113.715 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -65.29 103.98 0.87 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.223 0.609 . . . . 54.52 110.519 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.24 33.59 1.11 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.101 -0.5 . . . . 41.03 113.061 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -117.64 166.8 11.96 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.487 0.715 . . . . 62.15 111.285 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -116.11 -49.3 2.7 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.252 0.621 . . . . 71.4 111.168 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' NH1' ' A' ' 57' ' ' ARG . 42.9 mt 66.73 135.35 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 125.158 1.383 . . . . 71.54 112.621 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 m -131.52 -74.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.881 -0.512 . . . . 74.54 111.706 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -126.96 -78.71 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.306 0.484 . . . . 64.52 112.306 -169.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.655 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.0 t -71.93 -33.43 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-O 121.673 0.749 . . . . 73.44 111.163 -171.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 3.6 mp0 -57.2 -32.27 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.482 1.513 . . . . 72.2 111.577 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.49 HG23 HH22 ' A' ' 57' ' ' ARG . 66.9 mt -67.48 -48.34 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.547 0.739 . . . . 72.51 111.214 176.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.33 -47.79 82.6 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.358 0.663 . . . . 71.33 111.46 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.51 -39.78 92.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.976 0.91 . . . . 73.34 111.672 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' HG2' HG11 ' A' ' 40' ' ' VAL . 32.2 ttp-105 -65.75 -31.76 72.93 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.588 0.755 . . . . 73.22 111.724 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' ILE . 84.7 t -69.2 -40.47 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.275 0.63 . . . . 71.24 110.905 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.69 -39.2 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 122.856 0.462 . . . . 75.25 110.502 173.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.22 -42.56 95.45 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.236 0.615 . . . . 75.44 111.715 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.507 ' HB2' HG13 ' A' ' 40' ' ' VAL . 79.0 t80 -58.96 -53.97 52.37 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.051 0.541 . . . . 72.52 111.759 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.29 -45.62 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.125 0.57 . . . . 72.44 111.709 -174.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.78 -29.62 68.04 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.379 0.511 . . . . 72.33 112.379 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.86 -38.04 89.26 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.001 0.52 . . . . 63.15 111.075 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -70.57 -40.52 73.28 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.045 -0.525 . . . . 71.34 111.519 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -78.99 -34.39 44.14 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.276 0.843 . . . . 72.31 113.276 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.49 130.16 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.046 0.938 . . . . 73.24 111.402 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.572 1.808 0 C-N-CA 122.986 0.514 . . . . 72.22 112.035 175.446 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 110.79 -0.078 . . . . 74.43 110.79 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.27 144.59 2.99 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 123.239 0.337 . . . . 73.41 113.92 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -88.07 -38.65 15.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.383 0.673 . . . . 63.34 110.203 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.77 98.94 8.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.979 0.912 . . . . 71.44 110.343 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.6 89.16 7.04 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.302 0.641 . . . . 73.24 110.479 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -94.45 114.59 26.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.287 0.635 . . . . 54.51 111.504 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -109.18 97.83 7.37 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.883 0.873 . . . . 75.02 108.717 169.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -77.24 -55.59 5.28 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.405 0.682 . . . . 64.3 110.775 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.6 t 68.81 121.37 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.267 1.427 . . . . 64.45 114.366 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -133.3 147.27 51.89 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.913 0.885 . . . . 73.21 110.635 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.73 103.77 1.84 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.885 0.874 . . . . 53.53 111.672 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.92 -24.42 4.58 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 115.046 0.779 . . . . 75.23 115.046 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.98 80.43 0.95 Allowed Glycine 0 C--N 1.353 1.472 0 CA-C-N 117.512 0.656 . . . . 71.32 113.321 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.78 0.21 Allowed Glycine 0 C--N 1.349 1.262 0 CA-C-O 120.223 -0.21 . . . . 72.31 113.468 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -92.09 144.2 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.634 0.374 . . . . 75.51 111.947 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.88 141.02 21.4 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-O 118.548 -1.14 . . . . 50.53 110.516 163.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.7 99.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.948 2.432 . . . . 70.33 113.244 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.43 105.32 5.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.04 0.936 . . . . 34.41 112.262 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.46 139.52 8.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.584 0.754 . . . . 75.23 110.388 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.27 52.96 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.198 0.599 . . . . 72.42 110.944 175.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.29 135.0 62.04 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.187 0.595 . . . . 71.32 111.053 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.04 120.18 4.11 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.873 2.382 . . . . 72.41 113.303 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt 66.34 166.65 0.21 Allowed 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 125.088 1.355 . . . . 72.43 113.924 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -160.58 170.86 20.01 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.93 0.892 . . . . 73.41 110.135 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.7 123.51 27.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.035 0.534 . . . . 75.22 111.148 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tt -153.26 109.62 3.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.716 0.806 . . . . 41.12 108.949 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.05 100.29 7.25 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.794 -0.817 . . . . 71.43 108.794 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.0 -34.8 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.106 0.962 . . . . 53.03 112.499 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.655 ' HG2' HG22 ' A' ' 52' ' ' VAL . 31.2 mtp -66.31 -45.31 80.78 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.056 0.543 . . . . 74.13 111.42 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.59 -34.07 77.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.569 0.748 . . . . 65.15 111.446 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -65.21 -36.31 83.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.587 0.755 . . . . 52.43 111.496 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.19 -42.34 72.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.761 0.424 . . . . 51.4 110.842 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.84 -30.36 70.06 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.203 1.001 . . . . 75.44 111.937 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 53.2 m -58.72 -48.98 79.3 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.243 0.617 . . . . 62.1 110.664 175.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -75.2 -27.65 59.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.115 0.566 . . . . 73.42 112.508 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' B' ' 58' ' ' VAL . 82.0 mt -69.14 -22.28 63.96 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.935 0.398 . . . . 75.21 110.769 168.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -88.37 -17.43 30.58 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.499 0.72 . . . . 75.11 111.451 173.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 34' ' ' SER . 15.5 mm-40 -88.82 -38.85 14.31 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.748 0.419 . . . . 63.03 111.791 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.37 -6.35 58.5 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.118 0.784 . . . . 64.44 113.118 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.98 102.41 50.55 Favored Pre-proline 0 N--CA 1.489 1.513 0 C-N-CA 122.872 0.469 . . . . 52.24 110.952 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.94 -3.84 12.46 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.822 2.348 . . . . 65.23 113.462 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.82 52.56 4.73 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.139 0.4 . . . . 71.03 113.602 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' B' ' 37' ' ' ARG . 60.3 t -104.26 136.46 19.18 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.876 1.27 . . . . 71.53 109.75 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.87 166.46 22.51 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.581 2.187 . . . . 75.33 113.441 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -71.95 94.8 1.5 Allowed 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 121.291 0.567 . . . . 75.34 109.756 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.34 -170.96 17.0 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 115.526 -0.761 . . . . 71.04 112.392 -167.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.8 m 65.96 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.808 1.243 . . . . 72.04 112.443 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.08 -13.79 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.959 0.904 . . . . 73.55 112.242 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 92.9 mt 74.1 108.57 0.07 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.908 1.683 . . . . 72.12 112.063 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.5 t -70.85 161.09 31.6 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.838 0.855 . . . . 62.42 111.219 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.41 -48.83 62.52 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 113.955 1.094 . . . . 73.32 113.955 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.9 t -74.69 -35.61 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 122.935 0.494 . . . . 65.32 111.212 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.26 84.59 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.464 0.706 . . . . 53.23 110.55 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.8 mt -58.16 -49.75 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.102 0.561 . . . . 61.41 110.517 173.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.432 ' O ' HG13 ' B' ' 59' ' ' ILE . 96.0 mt -53.73 -50.55 65.71 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.282 0.633 . . . . 75.4 111.923 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -66.65 -34.9 78.89 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.165 0.986 . . . . 64.53 112.123 -177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -74.81 -33.48 62.21 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.585 0.754 . . . . 75.44 111.717 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 54' ' ' ILE . 72.8 t -67.3 -39.39 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.88 0.472 . . . . 73.44 110.594 172.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 55' ' ' LEU . 91.5 mt -57.57 -52.74 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.642 0.377 . . . . 74.1 110.285 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.46 -42.85 74.86 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.1 0.96 . . . . 73.4 112.42 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.89 -47.69 83.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.51 0.724 . . . . 72.5 112.051 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 39' ' ' LEU . 65.1 mt -72.87 -26.67 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.354 0 CA-C-N 116.266 -0.425 . . . . 74.22 111.621 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 78.9 mt -60.94 -35.14 75.95 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.981 0.512 . . . . 62.31 111.456 172.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.72 -32.29 73.77 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.17 0.588 . . . . 74.52 111.361 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.46 -30.14 42.02 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.602 0.761 . . . . 75.01 111.905 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -107.78 -161.6 0.79 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.049 0.94 . . . . 71.13 111.228 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.1 120.48 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.288 0.635 . . . . 74.51 112.362 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.488 -0.768 . . . . 73.1 109.645 168.128 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.541 0.21 . . . . 74.32 111.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.14 41.66 4.24 Favored Glycine 0 N--CA 1.48 1.629 0 C-N-CA 122.952 0.31 . . . . 75.23 113.164 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -97.17 84.33 3.48 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.655 0.782 . . . . 60.1 111.449 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.05 62.03 0.66 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.275 -1.009 . . . . 73.25 108.275 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -79.28 -25.48 42.48 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.255 -0.884 . . . . 74.13 112.022 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -77.45 100.55 6.05 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 121.141 0.496 . . . . 74.02 110.488 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -91.47 -46.75 7.81 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.688 0.795 . . . . 63.11 110.614 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 61.65 78.81 0.27 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.889 1.276 . . . . 71.23 111.852 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 t -168.27 83.34 0.17 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.31 0.644 . . . . 64.11 111.047 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -165.58 121.85 1.38 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.197 0.599 . . . . 70.33 111.096 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -131.73 173.86 10.72 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.937 0.895 . . . . 75.31 110.173 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.81 -8.35 0.04 OUTLIER Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.633 -0.537 . . . . 73.42 113.447 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.24 91.52 0.54 Allowed Glycine 0 CA--C 1.541 1.703 0 CA-C-N 117.019 0.409 . . . . 73.33 113.381 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.44 110.17 0.56 Allowed Glycine 0 C--N 1.351 1.399 0 CA-C-O 119.905 -0.386 . . . . 44.15 113.345 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 26.5 ttpt 70.59 171.87 0.31 Allowed 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 125.086 1.354 . . . . 74.14 112.406 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' H ' ' HG2' ' A' ' 15' ' ' LYS . . . 161.04 -83.39 0.13 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.591 -0.604 . . . . 61.42 111.591 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HG3' ' H ' ' B' ' 26' ' ' LEU . 27.1 Cg_endo -88.15 176.34 3.79 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 123.313 2.675 . . . . 74.24 113.874 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' B' ' 10' ' ' HIS . . . -165.33 65.55 0.12 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.013 1.325 . . . . 70.4 108.428 170.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.96 129.06 38.31 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.205 0.602 . . . . 71.34 112.514 -172.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 44.1 mt-10 -98.1 155.7 17.01 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.759 0.824 . . . . 73.03 111.61 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 129.5 82.56 Favored Pre-proline 0 CA--C 1.562 1.426 0 C-N-CA 123.239 0.616 . . . . 75.24 111.619 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.09 88.78 0.64 Allowed 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.815 2.343 . . . . 71.23 112.252 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.3 mt 69.78 155.78 0.14 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 125.229 1.412 . . . . 45.25 113.358 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -125.25 127.12 46.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.757 0.823 . . . . 65.3 109.329 172.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.62 -55.25 2.42 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.737 0.815 . . . . 74.5 111.345 -170.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 tt -167.96 -49.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 106.662 -1.607 . . . . 64.13 106.662 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 65.61 98.58 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 113.635 -1.62 . . . . 62.24 113.11 168.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.64 -28.05 69.65 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.929 -0.578 . . . . 74.32 110.491 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.544 ' HB3' HG22 ' B' ' 52' ' ' VAL . 3.3 ptp -64.73 -30.23 71.23 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 111.959 0.355 . . . . 73.21 111.959 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -64.18 -47.53 79.47 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.23 0.612 . . . . 74.34 109.838 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -63.68 -41.44 98.16 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.455 0.702 . . . . 75.3 111.265 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 88.6 m -64.23 -36.49 84.25 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.111 0.965 . . . . 52.23 112.318 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.15 -42.95 93.29 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.032 0.933 . . . . 74.42 111.672 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 57.3 m -64.88 -41.37 95.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.489 -0.778 . . . . 64.53 111.048 173.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.26 -29.21 67.96 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.382 1.073 . . . . 73.14 111.479 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 55' ' ' LEU . 83.0 mt -60.82 -55.47 32.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.715 -0.846 . . . . 60.25 108.715 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 78.7 mtm180 -53.51 -27.3 24.8 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.916 0.886 . . . . 64.32 113.279 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 34' ' ' SER . 14.0 mm-40 -76.31 -36.29 58.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.102 0.477 . . . . 74.15 110.975 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' HB3' HG21 ' B' ' 62' ' ' ILE . 98.0 mt -92.0 -23.25 19.6 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.775 0.83 . . . . 72.43 113.14 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 61' ' ' TYR . 90.8 t -93.81 109.17 39.85 Favored Pre-proline 0 N--CA 1.488 1.463 0 C-N-CA 123.786 0.834 . . . . 71.42 111.98 -173.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.62 -12.93 29.64 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.117 2.545 . . . . 72.32 112.832 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.05 67.23 Favored Glycine 0 C--N 1.361 1.955 0 C-N-CA 122.996 0.332 . . . . 73.4 112.817 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 40' ' ' VAL . 93.5 t -76.08 110.17 10.33 Favored Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.642 0.777 . . . . 74.31 109.092 165.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -178.12 1.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.742 2.295 . . . . 70.14 113.317 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -55.69 102.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.081 0.952 . . . . 72.32 112.269 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.69 -92.05 0.6 Allowed Glycine 0 C--N 1.35 1.361 0 CA-C-N 115.756 -0.656 . . . . 64.42 112.203 -174.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 m 71.22 148.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.251 1.42 . . . . 75.1 113.075 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -95.89 97.36 9.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.683 0.793 . . . . 75.23 109.714 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 53' ' ' GLU . 88.7 mt -117.47 124.23 48.27 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.256 0.622 . . . . 75.13 111.155 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -77.98 177.85 7.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.471 0.709 . . . . 71.34 110.784 170.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -58.32 -38.74 77.72 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.497 0.719 . . . . 75.34 112.515 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.4 t -68.0 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-O 121.094 0.473 . . . . 65.44 110.462 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 49' ' ' LEU . 31.4 mm-40 -58.37 -36.01 72.84 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.5 1.12 . . . . 43.32 112.955 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.56 -46.88 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.315 0.246 . . . . 74.21 110.54 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -55.49 -45.38 77.01 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.481 0.712 . . . . 71.15 111.877 176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.74 -36.89 70.6 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.545 0.738 . . . . 73.45 111.985 -176.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.45 68.81 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.189 0.596 . . . . 72.23 111.639 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG22 HG21 ' A' ' 40' ' ' VAL . 79.0 t -67.14 -44.14 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 122.586 0.355 . . . . 61.31 110.499 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 76.1 mt -58.92 -41.54 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.761 0.424 . . . . 74.42 110.736 176.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.0 m-20 -59.54 -44.88 93.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.475 0.71 . . . . 51.05 111.562 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.526 ' HB2' HG13 ' A' ' 40' ' ' VAL . 49.8 t80 -56.85 -44.71 82.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.487 0.715 . . . . 62.02 111.786 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' B' ' 39' ' ' LEU . 39.9 mt -70.07 -28.6 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-N 116.42 -0.354 . . . . 54.32 110.546 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 97.5 mt -62.99 -37.48 87.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.871 0.469 . . . . 53.02 111.241 172.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.76 -39.3 88.22 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.076 0.55 . . . . 70.3 111.91 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 62' ' ' ILE . 55.3 mt -70.42 -45.95 64.89 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.957 0.903 . . . . 74.35 112.059 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.33 -59.14 2.93 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.338 -0.846 . . . . 72.31 111.641 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.11 147.62 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.739 0.816 . . . . 74.51 110.727 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 CA--C 1.572 1.81 0 CA-C-O 118.422 -0.799 . . . . 71.44 111.827 179.781 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.561 0.219 . . . . 52.44 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.65 95.72 0.17 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.837 -0.505 . . . . 34.14 111.837 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -95.14 -160.63 0.8 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.329 1.052 . . . . 71.32 111.074 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.78 111.12 2.64 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 123.65 0.78 . . . . 63.23 112.229 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 60.65 -80.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 125.326 1.45 . . . . 74.24 113.726 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 57.14 85.11 0.09 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.229 1.412 . . . . 70.42 110.494 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.16 168.42 14.08 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.751 0.82 . . . . 30.22 112.721 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -47.89 100.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.62 1.168 . . . . 71.13 113.222 -176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.422 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 49.0 m -87.52 100.72 12.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.796 0.838 . . . . 61.41 110.601 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.3 p80 -150.55 79.27 1.33 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.09 0.948 . . . . 42.33 111.392 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -78.86 -54.68 5.81 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.424 -0.584 . . . . 74.23 109.424 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.01 122.88 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.213 -0.903 . . . . 61.24 111.971 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.5 159.48 9.55 Favored Glycine 0 CA--C 1.535 1.287 0 CA-C-N 116.958 0.379 . . . . 62.24 113.463 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 15' ' ' LYS . . . 143.75 -162.24 27.73 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 119.649 -0.528 . . . . 72.34 112.501 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt 68.85 130.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.085 1.354 . . . . 52.01 112.495 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.1 -132.46 2.56 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-O 119.08 -0.845 . . . . 40.24 112.846 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.18 81.59 2.22 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 123.264 2.643 . . . . 52.34 113.004 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.97 116.79 2.84 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.633 -0.712 . . . . 72.43 110.797 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.91 -40.62 75.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.447 0.642 . . . . 75.51 110.34 170.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -158.46 137.35 11.31 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.8 1.24 . . . . 74.21 108.511 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -125.16 158.86 62.04 Favored Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 123.007 0.523 . . . . 61.41 112.394 -168.134 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' PRO . . . . . 0.536 ' HD2' HD21 ' B' ' 26' ' ' LEU . 93.3 Cg_endo -80.88 115.53 3.05 Favored 'Trans proline' 0 CA--C 1.564 1.988 0 C-N-CA 122.516 2.144 . . . . 62.14 110.872 159.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 84.31 0.5 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.415 0.686 . . . . 65.13 112.376 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.0 t -170.7 -83.34 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.01 0.924 . . . . 71.44 110.101 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -115.6 139.67 49.88 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.784 0.834 . . . . 70.42 111.073 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.576 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 75.0 mt -152.78 -68.4 0.16 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.919 1.687 . . . . 72.23 107.828 -177.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 64.8 117.52 0.02 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.164 1.786 . . . . 62.41 112.261 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.48 -30.77 69.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.01 0.924 . . . . 61.23 111.389 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.671 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.6 mtp -62.8 -46.07 89.69 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.877 0.471 . . . . 64.12 111.06 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.65 -39.81 94.33 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.401 1.081 . . . . 71.11 111.659 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -69.46 -38.14 77.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.889 0.476 . . . . 73.23 110.553 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.423 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 99.1 m -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.158 0.583 . . . . 72.33 111.607 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -63.74 -36.39 83.7 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.095 0.958 . . . . 74.34 111.489 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -60.79 -51.3 69.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.4 0.68 . . . . 43.32 110.372 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -65.88 -28.03 68.65 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 113.42 0.896 . . . . 71.52 113.42 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.439 ' O ' HG23 ' B' ' 40' ' ' VAL . 84.0 mt -60.27 -54.47 45.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 109.092 -0.707 . . . . 60.11 109.092 169.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -63.13 -20.91 65.82 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.631 0.974 . . . . 75.15 113.631 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.28 -37.69 19.73 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.506 0.322 . . . . 71.43 111.029 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 62' ' ' ILE . 70.4 mt -91.31 -11.16 38.81 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.368 0.667 . . . . 65.1 112.573 -175.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 36' ' ' LEU . 58.2 t -99.91 105.72 36.58 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.337 0.655 . . . . 63.35 110.731 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.52 -2.5 12.29 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.497 2.132 . . . . 54.54 113.166 173.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.66 -12.65 80.6 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.884 -0.398 . . . . 75.41 114.063 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.15 119.48 49.43 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.553 0.741 . . . . 73.33 111.189 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.54 142.98 55.44 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.817 2.344 . . . . 71.13 112.444 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' B' ' 45' ' ' ARG . 3.2 mpt_? -75.88 132.41 40.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 72.22 110.543 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.99 -14.01 40.7 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-O 119.771 -0.461 . . . . 73.33 114.225 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -83.58 114.72 21.73 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.58 0.69 . . . . 73.04 110.974 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -76.16 120.71 21.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.018 0.527 . . . . 64.53 110.309 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.82 130.69 53.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.461 0.704 . . . . 60.41 111.542 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.9 t -79.43 172.66 13.48 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.092 0.557 . . . . 74.33 110.959 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -46.92 -48.34 21.4 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.57 1.148 . . . . 61.31 113.456 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 29' ' ' MET . 11.8 t -72.62 -40.3 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 114.959 -1.019 . . . . 71.1 111.212 -177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.35 -33.73 71.51 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.134 0.974 . . . . 71.4 111.912 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 58' ' ' VAL . 90.6 mt -58.71 -56.36 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.59 0.756 . . . . 71.5 110.466 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.506 HD22 HD11 ' A' ' 36' ' ' LEU . 88.8 mt -60.55 -38.26 83.92 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.842 0.857 . . . . 71.14 112.605 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -57.5 -51.42 69.52 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.969 0.908 . . . . 73.12 111.492 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -75.44 -19.13 59.66 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.773 0.657 . . . . 63.42 112.773 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.454 ' O ' HG13 ' B' ' 62' ' ' ILE . 78.0 t -68.21 -43.82 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 109.683 -0.488 . . . . 74.31 109.683 167.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.36 -49.87 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.029 0.532 . . . . 73.51 110.567 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.16 -37.28 79.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.812 0.845 . . . . 73.32 112.662 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 79.7 t80 -58.92 -48.03 82.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.471 1.108 . . . . 71.41 111.138 175.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 39' ' ' LEU . 60.5 mt -69.98 -38.58 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.729 0.812 . . . . 43.53 111.247 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.12 -34.11 74.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.923 0.889 . . . . 64.03 112.696 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.86 -36.12 82.88 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.973 0.909 . . . . 75.22 111.222 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.2 mt -73.63 -41.83 62.26 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.632 0.773 . . . . 74.14 111.692 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -93.74 -175.65 3.81 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.348 -0.842 . . . . 65.52 112.839 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.24 132.61 32.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 123.79 0.836 . . . . 72.0 112.355 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.493 1.701 0 C-N-CA 124.614 1.166 . . . . 73.4 110.6 175.002 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.258 0.075 . . . . 65.12 111.01 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.92 140.01 11.07 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.276 0.36 . . . . 74.43 113.028 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.8 145.92 43.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.469 0.707 . . . . 73.15 110.842 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -71.6 88.93 0.96 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.335 0.654 . . . . 74.11 111.625 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -108.99 135.09 50.73 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.614 0.766 . . . . 72.53 109.959 172.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -76.35 120.25 21.34 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.428 0.691 . . . . 53.23 110.855 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -126.42 124.43 40.14 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.914 0.886 . . . . 74.55 109.44 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -119.03 86.08 2.48 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.556 0.742 . . . . 75.42 109.936 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.9 p -167.79 151.05 5.98 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.457 0.703 . . . . 62.44 111.388 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -86.47 121.67 29.35 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.483 0.713 . . . . 73.53 110.52 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtt -83.66 129.19 34.95 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.775 0.83 . . . . 75.25 111.68 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 112.45 3.76 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-N 116.49 -0.323 . . . . 63.24 113.588 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.49 79.08 1.86 Allowed Glycine 0 CA--C 1.537 1.455 0 CA-C-N 116.724 0.262 . . . . 62.44 112.89 177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 176.53 53.92 Favored Glycine 0 CA--C 1.541 1.718 0 N-CA-C 114.181 0.432 . . . . 63.1 114.181 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -78.56 174.18 11.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.447 0.699 . . . . 74.51 111.817 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.75 -112.51 0.97 Allowed Glycine 0 CA--C 1.537 1.454 0 CA-C-O 119.197 -0.779 . . . . 51.13 112.545 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.18 157.44 33.73 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.828 2.352 . . . . 75.35 113.765 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.89 -72.31 0.66 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.641 0.776 . . . . 51.32 111.049 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.77 120.22 3.81 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.631 0.772 . . . . 72.13 110.022 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -135.03 118.44 16.8 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.714 0.805 . . . . 70.54 110.747 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.87 148.47 48.41 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 123.728 0.811 . . . . 72.21 110.567 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.13 129.09 33.42 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.043 2.495 . . . . 73.52 112.889 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.21 73.03 0.93 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.793 0.837 . . . . 71.52 110.764 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -159.35 160.8 35.45 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.642 1.177 . . . . 34.03 109.942 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.83 146.57 53.56 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.088 0.471 . . . . 75.01 111.3 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.51 -176.98 3.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.356 0.662 . . . . 71.55 110.565 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.68 60.68 5.38 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.192 0.597 . . . . 74.13 110.627 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.03 -43.25 60.86 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 123.903 0.881 . . . . 75.45 112.099 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.2 ttm -65.38 -42.96 92.16 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.569 -1.196 . . . . 65.2 112.62 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.71 -38.92 77.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.847 0.459 . . . . 74.41 111.582 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -57.94 -44.42 86.95 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.455 0.702 . . . . 63.3 110.8 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' B' ' 55' ' ' LEU . 99.0 m -63.74 -45.85 88.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.35 -0.841 . . . . 72.43 112.053 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -65.93 -36.16 82.59 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.646 0.778 . . . . 54.34 112.519 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.6 m -65.79 -43.79 87.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.696 0.398 . . . . 62.12 110.308 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -31.46 69.65 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.734 -0.667 . . . . 73.43 111.316 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.8 mt -58.41 -54.84 42.44 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.44 -0.578 . . . . 62.23 109.44 171.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.2 -25.9 59.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.291 1.036 . . . . 75.04 112.624 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.57 -44.32 35.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.721 0.409 . . . . 55.25 111.036 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HB3' HG21 ' B' ' 62' ' ' ILE . 91.0 mt -76.11 -17.49 59.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.173 0.589 . . . . 64.25 111.974 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.9 t -100.56 101.49 15.45 Favored Pre-proline 0 N--CA 1.486 1.339 0 C-N-CA 123.608 0.763 . . . . 62.21 111.406 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 13.0 Cg_exo -71.59 -10.09 26.12 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.149 2.566 . . . . 55.44 112.559 170.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.23 -13.48 53.97 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 123.437 0.542 . . . . 25.24 114.272 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG22 ' HG2' ' A' ' 57' ' ' ARG . 24.4 t -81.65 114.39 49.63 Favored Pre-proline 0 CA--C 1.562 1.408 0 C-N-CA 123.304 0.642 . . . . 73.1 110.029 170.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.38 -178.81 1.6 Allowed 'Trans proline' 0 CA--C 1.563 1.947 0 C-N-CA 122.473 2.115 . . . . 72.04 113.501 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -68.52 110.53 4.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.541 0.737 . . . . 73.32 112.053 -173.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.64 22.48 75.25 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 115.056 0.783 . . . . 42.32 115.056 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.2 m -73.63 111.0 8.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.152 0.581 . . . . 61.22 111.582 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -81.78 110.5 17.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.771 0.828 . . . . 73.43 111.26 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.03 146.15 42.4 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.869 0.867 . . . . 75.23 110.63 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.6 p -71.65 164.64 25.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.888 -0.412 . . . . 74.43 109.888 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.89 -31.18 62.61 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.114 0.566 . . . . 74.04 111.911 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.9 t -69.55 -47.72 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.271 0.629 . . . . 53.42 110.298 176.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.1 -26.49 65.84 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.302 -0.863 . . . . 75.31 112.535 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -65.3 -48.35 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.339 -0.615 . . . . 75.24 109.339 172.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.53 -45.07 69.65 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.339 0.656 . . . . 65.42 111.681 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -65.29 -36.93 85.6 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.184 0.994 . . . . 74.5 112.158 177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.582 ' HG2' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -70.57 -34.47 72.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.804 0.442 . . . . 73.34 110.631 178.762 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ILE . 86.6 t -69.13 -39.86 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.57 -0.741 . . . . 71.34 110.432 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.75 -49.75 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.276 0.63 . . . . 73.41 110.339 173.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.0 -39.99 83.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.961 0.904 . . . . 75.34 111.547 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 40' ' ' VAL . 63.9 t80 -65.23 -46.25 81.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.636 0.775 . . . . 72.42 112.52 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 48.1 mt -68.61 -33.23 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.568 -0.53 . . . . 72.05 109.568 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.86 -35.9 75.75 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.207 0.603 . . . . 74.44 111.775 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 61' ' ' TYR . 24.0 t70 -61.17 -32.39 72.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.322 0.649 . . . . 63.42 111.51 172.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.79 -30.52 22.96 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.632 0.773 . . . . 73.44 112.514 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 12.6 mm-40 -90.12 -65.55 1.01 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.376 0.67 . . . . 72.12 111.528 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.84 108.23 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.81 0.844 . . . . 45.22 110.443 -172.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 CA--C 1.569 1.693 0 C-N-CA 123.124 0.57 . . . . 53.33 111.365 -176.818 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 112.276 0.473 . . . . 64.11 112.276 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.32 55.99 2.42 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 122.691 0.186 . . . . 64.32 113.518 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -85.01 53.86 2.89 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.568 0.747 . . . . 71.23 110.926 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.96 110.83 23.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.811 0.845 . . . . 73.33 110.643 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -87.55 54.89 3.29 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.154 0.978 . . . . 74.33 111.507 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -111.34 38.65 2.51 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.855 -1.066 . . . . 51.11 108.702 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -106.39 17.75 22.94 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.665 1.186 . . . . 73.31 112.048 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -85.77 56.47 3.98 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.763 0.825 . . . . 71.13 112.23 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.8 t -158.13 152.25 24.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.779 0.832 . . . . 70.11 110.495 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -131.7 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.55 0.74 . . . . 62.32 110.231 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 26.4 ttt 54.14 90.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.882 1.273 . . . . 74.21 111.807 -174.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 -142.18 4.55 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 116.22 -0.446 . . . . 71.12 113.963 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.68 111.51 0.47 Allowed Glycine 0 C--N 1.344 0.982 0 CA-C-N 116.739 0.269 . . . . 53.41 112.938 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.98 24.76 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 122.735 0.207 . . . . 74.24 112.935 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -74.72 99.62 3.76 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.366 0.666 . . . . 74.05 110.421 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.51 167.27 53.88 Favored Glycine 0 CA--C 1.541 1.687 0 CA-C-O 119.658 -0.523 . . . . 74.44 113.633 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.46 165.46 29.09 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 123.045 2.497 . . . . 64.43 113.534 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.24 159.01 42.52 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.972 0.909 . . . . 75.13 110.991 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.7 -177.06 0.16 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.744 1.217 . . . . 60.21 113.789 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -122.48 159.47 27.59 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.862 0.865 . . . . 74.35 109.891 170.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.46 152.93 75.76 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 122.977 0.511 . . . . 71.45 110.567 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.13 142.36 91.76 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.703 2.269 . . . . 72.54 111.749 166.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.65 81.1 0.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.458 0.647 . . . . 63.02 110.667 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.3 p -164.83 109.1 0.91 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.192 0.997 . . . . 75.1 110.571 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.16 112.69 18.74 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.699 -0.852 . . . . 73.05 108.699 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -156.57 -55.57 0.08 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.613 -0.884 . . . . 63.14 108.613 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 63.36 84.95 0.14 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.807 1.243 . . . . 64.2 112.041 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.54 -28.89 67.38 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.787 0.835 . . . . 72.04 111.325 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.3 mtp -65.42 -46.89 78.19 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.612 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.2 -29.16 69.94 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.519 0.728 . . . . 75.42 111.181 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -62.54 -47.25 84.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.726 0.81 . . . . 74.43 110.628 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.94 -40.49 87.58 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.386 -0.825 . . . . 31.14 111.419 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -62.61 -36.58 83.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.04 0.936 . . . . 74.2 111.983 176.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 32.4 t -65.19 -40.81 94.74 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.199 0.6 . . . . 73.13 110.938 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -71.75 -30.97 66.17 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.73 0.412 . . . . 61.41 111.847 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' HG23 ' B' ' 40' ' ' VAL . 83.7 mt -60.66 -47.36 86.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.649 0.379 . . . . 73.32 110.397 171.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -53.33 -27.41 23.17 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.932 0.893 . . . . 73.23 113.154 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 34' ' ' SER . 21.8 mm-40 -84.68 -36.37 21.95 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.883 0.873 . . . . 75.11 110.459 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.4 ' HB3' HG21 ' A' ' 62' ' ' ILE . 81.9 mt -85.02 -6.95 59.32 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 45.52 113.232 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 47.1 t -112.44 95.14 30.29 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.024 0.529 . . . . 71.53 111.062 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.83 -8.1 18.65 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.848 2.365 . . . . 72.52 113.716 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 7.11 31.8 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.58 0.592 . . . . 55.13 114.58 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.89 116.9 64.45 Favored Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 123.368 0.667 . . . . 65.4 110.19 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.75 172.53 6.84 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.412 2.741 . . . . 71.31 113.946 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -71.71 84.71 0.9 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.299 0.64 . . . . 71.35 110.206 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.9 122.59 0.65 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 116.003 -0.544 . . . . 63.14 112.262 -172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -160.5 175.19 13.02 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.474 0.71 . . . . 72.54 110.913 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -111.96 89.96 3.21 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 122.048 0.927 . . . . 74.44 110.903 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -105.42 100.55 10.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.752 0.821 . . . . 71.4 110.34 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -82.71 -80.94 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.562 0.345 . . . . 63.11 110.796 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -143.87 -56.07 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.236 0.614 . . . . 71.01 110.393 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.25 -36.99 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 123.085 0.554 . . . . 71.35 110.361 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.12 -40.76 77.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.739 0.816 . . . . 74.04 111.491 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 58' ' ' VAL . 69.1 mt -65.19 -48.79 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.314 -0.857 . . . . 52.32 110.45 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 32' ' ' CYS . 90.1 mt -57.0 -49.58 75.33 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.352 0.661 . . . . 73.32 112.086 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.97 -38.45 91.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.397 1.079 . . . . 74.43 111.768 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -71.56 -33.62 69.26 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.28 0.632 . . . . 74.02 111.638 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 68.3 t -67.16 -46.36 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.978 0.511 . . . . 62.0 110.456 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.28 -49.11 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.024 0.53 . . . . 73.44 110.642 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.38 -37.68 81.54 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.371 0.669 . . . . 63.3 111.56 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.96 -51.61 68.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.774 0.83 . . . . 71.24 111.122 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.9 mt -65.27 -46.09 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 115.1 -0.954 . . . . 74.45 111.323 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.27 -33.06 72.92 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.709 0.803 . . . . 62.32 111.865 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.12 -31.03 67.25 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.518 0.727 . . . . 72.02 111.155 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.0 mt -77.36 -43.7 31.96 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.008 0.523 . . . . 75.44 111.632 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.36 -38.64 81.63 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.656 0.782 . . . . 54.35 111.799 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.9 t 60.36 96.61 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.52 0 C-N-CA 124.955 1.302 . . . . 74.45 112.132 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 CA--C 1.578 2.023 0 C-N-CA 124.985 1.314 . . . . 75.02 112.181 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.734 0.778 . . . . 73.319999999999993 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.45 -35.07 73.36 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 114.469 -1.241 . . . . 63.450000000000003 111.281 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.45 ' HB2' HG22 ' B' ' 52' ' ' VAL . 22.4 ttm -53.91 -44.56 70.66 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.899 1.28 . . . . 73.430000000000007 112.413 173.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -65.49 -40.48 93.11 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 122.997 0.519 . . . . 73.010000000000005 111.411 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -61.27 -43.61 98.59 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.127 0.489 . . . . 74.319999999999993 111.192 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.44 -47.64 78.3 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.426 -0.806 . . . . 62.149999999999999 112.275 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.36 -32.28 73.05 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.232 0.827 . . . . 74.530000000000001 113.232 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -63.11 -52.68 61.62 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.824 0.449 . . . . 75.019999999999996 110.634 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -65.8 -32.27 73.7 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.051 0.941 . . . . 62.32 112.727 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.9 mt -60.81 -55.01 38.23 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.937 0.495 . . . . 73.040000000000006 111.032 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.29 -18.68 51.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.665 0.987 . . . . 73.510000000000005 113.665 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.32 -34.56 21.83 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.038 0.535 . . . . 74.519999999999996 110.887 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.5 mt -78.46 -29.53 46.94 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.326 0.65 . . . . 72.129999999999995 111.509 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' LEU . 57.3 t -86.58 109.93 27.86 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 123.858 0.863 . . . . 72.420000000000002 110.228 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.64 -10.71 25.47 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.932 2.421 . . . . 72.530000000000001 113.92 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.65 29.08 3.36 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 115.424 0.929 . . . . 52.310000000000002 115.424 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.29 124.26 56.21 Favored Pre-proline 0 N--CA 1.484 1.229 0 CA-C-N 117.436 0.618 . . . . 63.32 109.91 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -71.28 139.78 35.79 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.771 2.314 . . . . 52.399999999999999 112.752 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.619 ' H ' ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -65.07 114.48 4.64 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.117 0.567 . . . . 74.010000000000005 111.535 177.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.76 16.87 14.33 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 116.217 -0.447 . . . . 70.109999999999999 113.87 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -114.84 140.09 49.23 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 117.603 0.701 . . . . 73.430000000000007 111.53 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.33 -43.8 11.87 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.83 -0.804 . . . . 75.129999999999995 108.83 173.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HH11 ' A' ' 57' ' ' ARG . 76.2 mt 69.99 141.38 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 125.634 1.574 . . . . 64.140000000000001 112.095 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 p -80.38 162.54 24.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.746 0.418 . . . . 74.409999999999997 111.272 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.55 -38.19 68.99 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.196 0.998 . . . . 73.109999999999999 112.843 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' B' ' 29' ' ' MET . 6.6 t -74.99 -41.1 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 122.985 0.514 . . . . 65.129999999999995 111.698 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.08 -41.34 68.11 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.265 0.626 . . . . 65.430000000000007 112.18 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 63.4 mt -56.4 -51.09 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 O-C-N 123.932 0.77 . . . . 74.030000000000001 110.775 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.39 -50.65 64.7 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.058 0.943 . . . . 74.239999999999995 112.7 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.12 -44.07 97.45 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.937 -1.029 . . . . 73.040000000000006 110.725 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.463 HH11 HD13 ' A' ' 49' ' ' LEU . 28.6 ttm180 -75.6 -24.07 56.52 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.618 1.167 . . . . 73.299999999999997 112.092 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' ILE . 53.6 t -70.66 -39.11 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.301 0.641 . . . . 51.210000000000001 109.757 171.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' HE ' ' B' ' 35' ' ' ARG . 77.5 mt -62.31 -45.68 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.797 0.439 . . . . 73.040000000000006 110.962 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -55.7 -43.75 76.74 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.188 0.595 . . . . 64.439999999999998 111.451 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -56.94 -46.65 81.92 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.123 0.969 . . . . 75.120000000000005 112.092 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' VAL . 62.5 mt -71.65 -27.26 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 122.752 0.421 . . . . 74.099999999999994 111.706 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 95.0 mt -59.36 -43.7 92.81 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.027 0.531 . . . . 73.420000000000002 111.701 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.82 -33.81 76.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 62.140000000000001 112.334 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.03 -35.08 66.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.241 0.616 . . . . 74.439999999999998 111.566 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 123.615 0.766 . . . . 73.030000000000001 111.507 -179.399 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.536 0.684 . . . . 41.340000000000003 109.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.94 -31.12 68.41 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.199 1.0 . . . . 63.210000000000001 113.001 -164.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.537 ' HG2' HG22 ' A' ' 52' ' ' VAL . 32.6 mtp -60.42 -46.77 88.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.875 0.47 . . . . 74.340000000000003 111.439 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.484 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 31.2 m-80 -72.68 -26.51 61.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.1 0.96 . . . . 62.130000000000003 112.047 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.26 -40.46 97.48 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.862 0.465 . . . . 74.030000000000001 110.964 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.28 -41.5 80.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.012 0.525 . . . . 61.219999999999999 111.447 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 17.8 m-85 -64.27 -36.47 84.21 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.02 0.928 . . . . 73.140000000000001 112.653 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 44.4 t -65.81 -45.68 81.44 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.809 0.444 . . . . 65.349999999999994 110.187 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.742 ' HE ' HG21 ' A' ' 59' ' ' ILE . 25.0 ttp180 -65.51 -26.04 67.73 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.867 0.867 . . . . 75.439999999999998 112.104 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' B' ' 40' ' ' VAL . 90.6 mt -66.77 -51.55 54.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.988 0.515 . . . . 75.549999999999997 110.609 167.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.565 HH21 HD11 ' B' ' 54' ' ' ILE . 99.6 mtt180 -56.15 -32.48 64.31 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.054 0.941 . . . . 62.229999999999997 112.908 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.5 mm-40 -59.67 -37.11 77.87 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.686 0.794 . . . . 74.319999999999993 110.983 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.41 -3.12 47.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.88 0.872 . . . . 60.450000000000003 112.661 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 36' ' ' LEU . 45.6 t -101.06 106.16 43.02 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.867 0.467 . . . . 74.019999999999996 110.894 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.57 13.35 2.71 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.449 2.766 . . . . 62.420000000000002 113.111 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.49 -15.09 45.01 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.382 0.515 . . . . 61.130000000000003 114.247 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.9 131.6 56.65 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.362 0.665 . . . . 72.140000000000001 111.014 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.14 -69.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 123.083 2.522 . . . . 75.209999999999994 113.834 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -179.13 -76.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.906 0.882 . . . . 54.140000000000001 109.621 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.01 66.0 0.4 Allowed Glycine 0 C--N 1.353 1.484 0 N-CA-C 111.514 -0.634 . . . . 52.520000000000003 111.514 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -102.59 172.05 7.08 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.647 0.779 . . . . 71.25 111.074 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -74.09 92.82 2.2 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.252 0.621 . . . . 74.099999999999994 110.905 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -114.25 102.97 10.63 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.366 0.667 . . . . 64.409999999999997 110.813 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 83.3 p -71.12 164.62 25.25 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.912 -0.403 . . . . 73.140000000000001 109.912 165.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.58 -29.66 59.44 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.021 0.528 . . . . 62.130000000000003 111.64 172.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 29' ' ' MET . 43.7 t -72.44 -51.82 27.01 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 124.001 0.92 . . . . 63.340000000000003 112.331 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.52 -26.85 66.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.269 0.47 . . . . 72.420000000000002 112.269 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.565 HD11 HH21 ' B' ' 37' ' ' ARG . 87.5 mt -58.45 -50.3 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 122.483 0.313 . . . . 73.430000000000007 110.495 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.99 -48.53 70.3 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.741 0.816 . . . . 75.430000000000007 111.722 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.75 -45.09 95.43 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.247 1.019 . . . . 73.319999999999993 111.556 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -75.02 -25.09 58.5 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.482 0.713 . . . . 71.129999999999995 112.363 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.24 -38.1 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.719 -0.474 . . . . 71.329999999999998 109.719 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 73.8 mt -62.47 -47.46 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 N-CA-C 110.209 -0.293 . . . . 63.299999999999997 110.209 172.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.54 -39.26 73.09 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.76 0.824 . . . . 73.299999999999997 111.748 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.3 -46.73 89.07 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.026 -0.988 . . . . 73.420000000000002 111.507 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.76 -27.74 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.551 0 CA-C-N 115.663 -0.698 . . . . 61.240000000000002 111.127 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 95.4 mt -67.87 -29.34 68.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.389 0.676 . . . . 73.299999999999997 111.333 176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.54 -36.85 76.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.276 0.63 . . . . 74.450000000000003 110.64 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -79.15 -33.99 43.65 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.65 0.78 . . . . 73.010000000000005 112.572 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -87.6 -33.88 18.71 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.891 0.877 . . . . 75.450000000000003 111.665 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t 57.55 81.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.109 1.364 . . . . 70.319999999999993 111.103 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 124.111 0.965 . . . . 63.149999999999999 110.695 -176.273 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 120.869 0.366 . . . . 72.030000000000001 111.7 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -54.62 -43.05 71.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.652 0.781 . . . . 73.209999999999994 110.046 170.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.594 ' HG2' HG22 ' B' ' 52' ' ' VAL . 38.6 mtp -58.58 -49.12 78.62 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.526 -0.761 . . . . 72.219999999999999 111.576 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -70.97 -29.67 65.73 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.296 0.638 . . . . 73.540000000000006 111.646 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.68 -39.83 95.29 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.414 0.686 . . . . 71.239999999999995 110.346 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.23 -38.56 81.99 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.78 0.832 . . . . 72.409999999999997 112.088 173.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.94 -30.09 67.61 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.031 0.932 . . . . 64.129999999999995 112.908 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 m -58.36 -47.29 84.27 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.22 0.608 . . . . 71.319999999999993 111.322 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -71.95 -25.2 61.79 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.142 0.793 . . . . 75.230000000000004 113.142 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' B' ' 55' ' ' LEU . 67.8 mt -66.99 -19.73 65.76 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.742 0.417 . . . . 62.439999999999998 111.765 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -89.91 -30.61 17.74 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.898 -0.501 . . . . 72.519999999999996 111.902 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' SER . 8.0 mm-40 -72.33 -44.45 62.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.679 0.752 . . . . 73.329999999999998 111.288 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' B' ' 62' ' ' ILE . 87.5 mt -87.27 -1.49 57.94 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.788 -1.096 . . . . 72.319999999999993 112.76 -172.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 61' ' ' TYR . 77.1 t -111.39 105.34 56.84 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.515 0.726 . . . . 64.239999999999995 111.221 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.49 -15.66 30.85 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.169 2.579 . . . . 44.130000000000003 113.343 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.25 -26.6 64.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.451 0.548 . . . . 73.099999999999994 114.245 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.85 124.06 62.21 Favored Pre-proline 0 CA--C 1.565 1.556 0 C-N-CA 123.323 0.649 . . . . 74.140000000000001 110.594 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.42 -173.75 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.686 2.257 . . . . 64.439999999999998 113.731 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -60.77 103.8 0.29 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.48 0.712 . . . . 73.120000000000005 111.057 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.25 -109.83 3.06 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.885 -0.598 . . . . 42.049999999999997 112.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 m 64.66 115.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.115 1.366 . . . . 52.240000000000002 113.204 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -78.88 94.78 5.26 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.471 0.708 . . . . 74.299999999999997 110.138 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.72 134.79 41.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.769 0.827 . . . . 73.239999999999995 111.495 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -64.96 157.08 29.14 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.842 0.457 . . . . 44.109999999999999 109.997 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.47 -28.24 69.15 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.758 0.423 . . . . 74.450000000000003 112.116 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.5 t -72.13 -47.4 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 122.992 0.517 . . . . 73.5 110.653 171.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -55.77 -34.49 65.29 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.376 0.67 . . . . 63.240000000000002 111.913 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.8 mt -59.48 -50.36 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.351 0.66 . . . . 74.420000000000002 110.94 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.704 HD22 HD11 ' B' ' 36' ' ' LEU . 89.0 mt -57.55 -45.37 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.29 0.636 . . . . 62.219999999999999 111.67 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -34.2 77.67 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.153 0.981 . . . . 72.140000000000001 112.116 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.47 87.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.29 0.636 . . . . 63.0 111.061 172.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' ILE . 61.6 t -67.76 -39.8 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 123.174 0.59 . . . . 74.549999999999997 111.283 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.9 mt -58.52 -57.41 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.056 0.542 . . . . 75.439999999999998 110.373 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.61 -27.6 69.34 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.348 0.659 . . . . 73.310000000000002 112.657 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.581 ' HB2' HG13 ' A' ' 40' ' ' VAL . 24.1 t80 -61.47 -55.57 29.77 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.408 0.683 . . . . 73.230000000000004 111.362 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' B' ' 39' ' ' LEU . 45.9 mt -68.5 -31.24 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 C-N-CA 122.707 0.403 . . . . 73.319999999999993 110.951 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.27 -42.9 99.17 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.39 0.676 . . . . 71.409999999999997 111.535 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.13 -36.56 84.01 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.43 0.692 . . . . 74.409999999999997 111.823 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 83.4 mt -64.36 -47.12 80.51 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.19 0.596 . . . . 74.019999999999996 112.228 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.409 HE21 HG22 ' A' ' 62' ' ' ILE . 42.1 mt-30 . . . . . 0 N--CA 1.488 1.464 0 CA-C-N 115.405 -0.816 . . . . 54.020000000000003 112.53 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.41 0.624 . . . . 74.430000000000007 111.986 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.07 -38.02 64.83 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 114.808 -1.087 . . . . 63.32 111.493 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.593 ' HG2' HG22 ' A' ' 52' ' ' VAL . 44.6 mtp -65.59 -37.11 85.7 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.516 -0.765 . . . . 74.420000000000002 112.003 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -65.35 -36.13 83.08 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.319 0.648 . . . . 73.420000000000002 110.892 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -65.83 -37.23 85.68 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.948 0.499 . . . . 73.010000000000005 110.958 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -67.48 -37.46 82.92 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.081 0.552 . . . . 75.219999999999999 111.952 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.38 -35.11 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.895 0.878 . . . . 75.519999999999996 111.795 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.1 t -60.63 -48.77 80.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.243 0.617 . . . . 43.530000000000001 110.675 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.21 -36.28 77.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.055 0.942 . . . . 71.319999999999993 112.565 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.704 HD11 HD22 ' A' ' 55' ' ' LEU . 80.5 mt -58.18 -55.87 29.34 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.781 -0.452 . . . . 63.32 109.781 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.28 -21.88 65.57 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.427 0.899 . . . . 73.140000000000001 113.427 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.02 -34.29 50.71 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.338 0.589 . . . . 74.25 110.483 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 62' ' ' ILE . 97.1 mt -87.85 -18.87 28.29 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.141 0.976 . . . . 74.549999999999997 112.314 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 36' ' ' LEU . 46.0 t -105.34 100.53 26.22 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 123.717 0.807 . . . . 72.439999999999998 110.767 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.2 -7.46 16.15 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.822 2.348 . . . . 74.239999999999995 113.124 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.32 19.62 8.18 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.815 0.686 . . . . 75.349999999999994 114.815 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.78 131.82 85.59 Favored Pre-proline 0 CA--C 1.565 1.541 0 C-N-CA 123.471 0.708 . . . . 55.350000000000001 110.57 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.432 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 12.2 Cg_endo -53.86 156.48 12.2 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.323 2.682 . . . . 73.540000000000006 114.564 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.5 108.03 0.89 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.331 1.053 . . . . 74.530000000000001 112.435 -170.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.84 2.42 61.22 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 114.921 0.729 . . . . 60.43 114.921 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 26.1 m -89.83 128.04 36.09 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.265 0.626 . . . . 55.539999999999999 110.536 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -78.59 -29.89 46.35 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.37 0.668 . . . . 62.240000000000002 112.12 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.48 121.31 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.851 1.261 . . . . 73.430000000000007 110.842 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.0 m -66.51 -64.05 0.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.153 0.427 . . . . 54.520000000000003 112.153 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -161.31 -55.65 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.43 0.53 . . . . 71.030000000000001 112.43 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.594 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.0 t -73.42 -37.58 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 121.722 0.772 . . . . 72.340000000000003 110.69 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.46 -29.35 67.74 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.135 -1.393 . . . . 70.439999999999998 111.422 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 58' ' ' VAL . 61.8 mt -65.71 -50.14 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.333 0.653 . . . . 73.420000000000002 110.63 172.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 36' ' ' LEU . 98.4 mt -59.59 -48.82 80.16 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.299 0.64 . . . . 63.299999999999997 112.283 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.41 -34.79 78.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.616 0.767 . . . . 71.109999999999999 111.72 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.85 -40.58 96.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.412 0.685 . . . . 74.540000000000006 111.085 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 54' ' ' ILE . 73.4 t -67.58 -45.18 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.728 0.811 . . . . 74.439999999999998 111.387 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.92 -53.14 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 122.898 0.479 . . . . 71.120000000000005 110.687 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.25 -40.18 81.11 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.95 0.9 . . . . 62.329999999999998 111.83 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 70.2 t80 -56.95 -50.58 72.19 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.416 1.087 . . . . 74.010000000000005 111.248 176.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 39' ' ' LEU . 77.9 mt -65.01 -40.9 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.782 0.833 . . . . 72.319999999999993 111.578 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.52 -41.65 98.99 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.411 0.684 . . . . 74.109999999999999 111.306 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.4 -29.84 70.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.956 0.902 . . . . 75.109999999999999 111.844 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 76.1 mt -75.39 -54.8 6.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.917 0.487 . . . . 44.399999999999999 111.579 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -101.32 -90.67 0.33 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.243 0.617 . . . . 71.319999999999993 111.664 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 m -109.88 120.09 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.736 0.814 . . . . 61.32 111.32 -168.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 118.885 -0.579 . . . . 74.120000000000005 111.867 -179.194 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 112.867 0.691 . . . . 71.129999999999995 112.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.3 -39.59 68.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.386 0.674 . . . . 71.530000000000001 110.065 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.643 ' HG2' HG22 ' B' ' 52' ' ' VAL . 46.7 mtp -62.07 -36.56 82.04 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.265 -0.879 . . . . 72.340000000000003 111.691 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.99 -41.36 87.44 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.728 0.811 . . . . 73.310000000000002 111.788 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -73.03 -30.51 63.79 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.824 0.45 . . . . 72.239999999999995 111.636 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' NE2' ' B' ' 56' ' ' GLN . 71.3 m -65.61 -41.56 92.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.975 0.51 . . . . 63.43 110.944 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -68.88 -33.29 73.54 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.441 1.096 . . . . 75.430000000000007 111.99 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 44.3 t -62.34 -48.63 78.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.32 0.648 . . . . 53.299999999999997 110.246 172.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.154 0.982 . . . . 71.549999999999997 113.108 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 58' ' ' VAL . 96.9 mt -55.48 -55.24 34.04 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.703 0.627 . . . . 74.319999999999993 110.147 169.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.38 -27.08 65.65 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.803 1.241 . . . . 61.229999999999997 112.754 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' SER . 13.6 mm-40 -71.04 -41.19 71.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.239 0.542 . . . . 74.010000000000005 110.926 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.4 -23.36 37.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.153 -0.931 . . . . 75.239999999999995 111.622 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 36' ' ' LEU . 48.5 t -92.41 109.06 35.7 Favored Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 123.637 0.775 . . . . 51.149999999999999 110.853 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -83.42 -5.62 10.96 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.593 2.196 . . . . 64.430000000000007 113.043 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.72 49.84 4.3 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 123.147 0.403 . . . . 73.540000000000006 113.494 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.85 112.44 55.91 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.984 0.914 . . . . 71.230000000000004 109.735 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 14.2 Cg_exo -69.61 122.54 9.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.643 2.229 . . . . 64.319999999999993 111.825 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -72.09 119.27 16.04 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.373 0.669 . . . . 60.329999999999998 110.87 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.95 -15.66 33.64 Favored Glycine 0 N--CA 1.479 1.507 0 CA-C-N 116.253 -0.431 . . . . 53.329999999999998 113.083 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 44' ' ' PRO . 54.4 m -73.37 -49.74 25.66 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.839 0.856 . . . . 63.200000000000003 112.238 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 67.75 130.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.071 1.348 . . . . 44.350000000000001 111.865 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt -109.56 132.11 54.44 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.271 0.629 . . . . 74.109999999999999 111.457 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.6 p -83.06 176.36 9.3 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 123.023 0.529 . . . . 62.310000000000002 109.707 166.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.13 -34.38 71.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 117.966 0.348 . . . . 74.340000000000003 111.56 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' B' ' 29' ' ' MET . 16.4 t -70.46 -46.16 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.869 0.468 . . . . 73.439999999999998 111.157 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 42.1 mm-40 -61.3 -38.48 86.96 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.295 0.638 . . . . 73.329999999999998 111.808 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.1 mt -61.75 -47.73 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.204 0.602 . . . . 63.140000000000001 110.783 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -49.52 -46.22 48.24 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.169 0.588 . . . . 74.230000000000004 111.511 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -67.83 -40.21 83.8 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.135 -0.939 . . . . 72.140000000000001 112.196 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 13.0 mmp_? -67.36 -32.77 73.93 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 122.985 0.514 . . . . 72.349999999999994 111.929 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 36' ' ' LEU . 91.5 t -69.18 -41.32 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 123.261 0.624 . . . . 71.540000000000006 110.715 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 95.6 mt -57.75 -50.67 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 122.583 0.353 . . . . 62.329999999999998 110.543 173.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -54.38 -46.1 72.97 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.628 0.771 . . . . 71.150000000000006 111.908 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.45 -48.41 79.25 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.416 1.086 . . . . 72.049999999999997 112.167 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' B' ' 39' ' ' LEU . 64.5 mt -67.94 -30.41 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 122.792 0.437 . . . . 73.209999999999994 110.705 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 96.9 mt -65.87 -33.11 75.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.649 0.379 . . . . 71.349999999999994 111.494 173.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.3 -34.64 77.8 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.105 0.562 . . . . 72.219999999999999 111.902 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.62 -33.4 72.59 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.258 0.623 . . . . 71.340000000000003 111.472 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.502 HE22 HD22 ' B' ' 39' ' ' LEU . 42.1 mt-30 . . . . . 0 N--CA 1.481 1.108 0 C-N-CA 123.846 0.858 . . . . 63.25 111.349 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 114.48 1.289 . . . . 74.340000000000003 114.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.89 -34.38 28.07 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 124.038 0.935 . . . . 65.420000000000002 110.91 169.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.2 mtp -64.56 -45.71 85.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.967 0.907 . . . . 61.350000000000001 111.58 175.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.5 -42.78 99.73 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.393 1.077 . . . . 54.329999999999998 112.254 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -64.24 -36.09 82.96 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.861 0.464 . . . . 73.430000000000007 111.831 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.53 -39.82 80.99 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 122.868 0.467 . . . . 52.299999999999997 111.624 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . 0.433 ' HD1' HG21 ' B' ' 54' ' ' ILE . 14.8 m-85 -66.38 -34.42 77.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.805 0.842 . . . . 62.210000000000001 112.072 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -57.95 -51.89 67.76 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.304 0.642 . . . . 71.420000000000002 110.318 173.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 2.3 mmp_? -61.66 -41.1 97.07 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.008 -0.996 . . . . 71.140000000000001 112.517 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 40' ' ' VAL . 85.5 mt -56.67 -51.3 69.27 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 117.988 0.358 . . . . 70.230000000000004 110.731 174.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -55.5 -31.2 61.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.634 0.773 . . . . 74.239999999999995 112.398 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.02 -31.79 34.45 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.917 0.487 . . . . 61.32 111.542 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.502 HD22 HE22 ' A' ' 66' ' ' GLN . 95.8 mt -83.61 -15.81 47.64 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.834 0.854 . . . . 51.140000000000001 111.986 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.3 t -86.11 108.33 16.8 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 109.613 -0.514 . . . . 73.510000000000005 109.613 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.5 16.1 2.04 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 123.027 2.485 . . . . 71.450000000000003 113.787 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.97 36.0 2.61 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 113.72 0.248 . . . . 25.219999999999999 113.72 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.92 115.68 65.71 Favored Pre-proline 0 CA--C 1.561 1.401 0 C-N-CA 123.136 0.575 . . . . 64.540000000000006 110.69 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.03 140.95 51.43 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.679 2.253 . . . . 65.439999999999998 112.378 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 106.7 2.47 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.218 0.607 . . . . 62.530000000000001 110.429 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.59 -22.07 6.6 Favored Glycine 0 N--CA 1.477 1.41 0 CA-C-N 116.076 -0.511 . . . . 54.009999999999998 112.714 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -74.76 100.7 4.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.604 0.762 . . . . 72.010000000000005 110.813 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.3 101.17 3.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.416 0.686 . . . . 71.25 110.732 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.92 108.3 6.66 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.061 0.544 . . . . 73.400000000000006 110.993 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.24 163.21 13.2 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.207 0.603 . . . . 73.019999999999996 110.731 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.89 -47.21 52.13 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.07 0.948 . . . . 61.420000000000002 113.058 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 29' ' ' MET . 9.1 t -72.58 -41.88 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.796 -0.638 . . . . 72.120000000000005 111.142 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -59.85 -29.21 68.13 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.043 0.937 . . . . 73.319999999999993 113.243 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.433 HG21 ' HD1' ' B' ' 33' ' ' TYR . 95.7 mt -59.93 -52.6 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.191 0.596 . . . . 54.530000000000001 109.99 170.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -41.2 89.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 63.229999999999997 111.422 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' SG ' ' A' ' 32' ' ' CYS . 82.5 mm-40 -60.26 -41.87 94.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.947 0.899 . . . . 74.120000000000005 111.938 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -69.14 -32.72 72.27 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.996 0.518 . . . . 73.510000000000005 111.837 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 65.7 t -73.12 -48.09 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 122.745 0.418 . . . . 73.019999999999996 111.696 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -58.55 -50.12 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 123.096 0.558 . . . . 63.130000000000003 110.424 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.79 -36.37 78.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.345 1.058 . . . . 64.219999999999999 112.181 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.42 -51.02 71.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.114 0.966 . . . . 74.120000000000005 111.597 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.36 -35.75 68.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 123.111 0.564 . . . . 55.049999999999997 111.285 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 68' ' ' VAL . 86.6 mt -67.85 -29.78 69.01 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.687 0.795 . . . . 73.510000000000005 112.045 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.37 -36.02 78.58 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.082 0.553 . . . . 63.530000000000001 110.911 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.92 -48.68 43.74 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.529 0.68 . . . . 74.450000000000003 110.757 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.43 -160.83 0.68 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.385 1.074 . . . . 72.409999999999997 110.445 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 m -94.78 138.95 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 O-C-N 121.894 -0.504 . . . . 52.229999999999997 110.771 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.653 HG22 ' HB3' ' B' ' 63' ' ' LEU . 49.1 t . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.051 0.54 . . . . 75.219999999999999 110.298 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 113.0 0.741 . . . . 74.030000000000001 113.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -55.67 -42.6 75.34 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.835 0.854 . . . . 74.299999999999997 112.225 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ttm -60.55 -49.16 78.67 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.76 0.824 . . . . 71.430000000000007 111.689 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -66.97 -31.75 72.54 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.478 0.711 . . . . 73.030000000000001 111.754 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -65.9 -51.07 61.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.43 1.092 . . . . 73.129999999999995 109.88 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 72.6 m -59.36 -42.92 92.68 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.493 -1.23 . . . . 75.109999999999999 111.672 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.02 -39.06 93.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.76 0.824 . . . . 74.319999999999993 113.079 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 m -60.07 -47.77 84.5 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.988 0.423 . . . . 72.0 110.491 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.81 -36.74 83.06 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.217 -0.901 . . . . 74.109999999999999 112.348 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 40' ' ' VAL . 62.7 mt -60.19 -52.47 65.18 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.838 0.455 . . . . 64.439999999999998 110.676 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HG3' HG11 ' A' ' 43' ' ' VAL . 44.3 ttt180 -55.22 -27.35 45.48 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.355 1.062 . . . . 73.230000000000004 112.618 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.91 -40.39 20.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.053 0.941 . . . . 73.25 111.417 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' B' ' 62' ' ' ILE . 96.3 mt -79.22 -7.95 58.64 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.563 0.745 . . . . 64.450000000000003 112.303 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' A' ' 61' ' ' TYR . 58.2 t -104.31 98.99 15.53 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.645 0.778 . . . . 73.430000000000007 111.058 175.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.22 142.66 50.95 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.403 2.069 . . . . 75.019999999999996 110.851 167.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.01 -21.4 15.78 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-N 116.454 -0.339 . . . . 73.040000000000006 112.428 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 37' ' ' ARG . 87.6 t -67.12 121.42 78.24 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.639 0.376 . . . . 71.329999999999998 110.139 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 112.98 3.47 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.529 2.153 . . . . 65.319999999999993 112.227 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -69.18 91.72 0.53 Allowed 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 109.269 -0.641 . . . . 74.200000000000003 109.269 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 149.25 -35.08 1.07 Allowed Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.216 -0.902 . . . . 72.040000000000006 111.206 -170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -81.46 130.72 35.15 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.402 0.681 . . . . 52.539999999999999 109.941 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -67.6 -44.56 77.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.844 0.683 . . . . 74.420000000000002 112.844 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt 62.15 -167.03 0.21 Allowed 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 124.099 0.96 . . . . 73.239999999999995 111.955 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.66 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 47.2 t -146.57 172.24 13.87 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.134 0.974 . . . . 64.030000000000001 109.782 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.814 0.846 . . . . 73.030000000000001 111.699 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' B' ' 29' ' ' MET . 3.4 t -72.24 -42.05 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 115.584 -0.734 . . . . 64.319999999999993 110.884 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.66 ' HB2' ' H ' ' A' ' 50' ' ' SER . 25.5 mm-40 -58.94 -35.32 72.92 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.649 0.78 . . . . 61.109999999999999 112.597 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.5 mt -61.27 -49.59 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 110.029 -0.36 . . . . 75.349999999999994 110.029 173.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.37 -45.44 69.21 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.523 0.729 . . . . 73.420000000000002 111.848 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -60.09 -49.1 78.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.475 0.71 . . . . 70.349999999999994 110.868 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -61.18 -33.79 74.01 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.986 0.914 . . . . 73.230000000000004 112.177 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.6 t -68.29 -42.98 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.17 0.588 . . . . 75.140000000000001 110.838 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.95 -47.69 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.739 0.416 . . . . 74.010000000000005 110.57 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.97 -42.98 77.11 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.68 0.792 . . . . 61.439999999999998 111.24 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.53 ' HB2' HG13 ' A' ' 40' ' ' VAL . 64.7 t80 -56.03 -50.04 72.03 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.239 1.016 . . . . 75.420000000000002 111.503 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 58' ' ' VAL . 67.8 mt -62.94 -38.42 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.293 0 C-N-CA 123.274 0.63 . . . . 73.019999999999996 111.06 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 -36.49 83.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.264 0.626 . . . . 71.299999999999997 112.031 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.04 -31.03 64.16 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.393 0.677 . . . . 73.319999999999993 111.962 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 78.6 mt -64.01 -36.25 83.38 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.316 0.579 . . . . 71.530000000000001 111.057 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 CA--C 1.553 1.075 0 CA-C-N 115.215 -0.902 . . . . 72.019999999999996 111.132 177.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.554 1.134 0 N-CA-C 111.94 0.348 . . . . 61.210000000000001 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -51.61 -33.45 33.13 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.279 0.632 . . . . 63.310000000000002 111.369 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' A' ' 52' ' ' VAL . 25.0 mtp -58.53 -49.87 75.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 114.884 -1.053 . . . . 75.299999999999997 110.957 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -62.92 -38.04 89.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.973 0.909 . . . . 74.310000000000002 111.764 -176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -67.63 -34.35 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.91 0.484 . . . . 63.530000000000001 111.491 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.74 -38.63 87.04 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.319 -0.4 . . . . 70.129999999999995 111.085 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -67.75 -29.78 69.08 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.173 0.989 . . . . 73.019999999999996 112.01 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 55.8 m -61.41 -46.47 90.0 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.281 0.632 . . . . 64.400000000000006 109.998 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.3 -43.19 95.49 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.363 0.665 . . . . 75.329999999999998 112.463 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.15 -17.86 64.99 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.001 0.52 . . . . 71.319999999999993 112.131 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -86.24 -39.16 16.85 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.229 0.612 . . . . 64.209999999999994 111.549 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 34' ' ' SER . 63.2 mm-40 -86.67 -39.4 16.1 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 112.896 0.702 . . . . 71.049999999999997 112.896 -170.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -76.11 -19.9 58.12 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.635 0.774 . . . . 60.020000000000003 111.596 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -93.32 109.76 42.3 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 123.252 0.621 . . . . 72.409999999999997 109.424 174.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.79 14.0 1.98 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.439999999999998 114.389 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.52 1.17 61.84 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-O 119.675 -0.514 . . . . 70.099999999999994 114.09 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -81.43 124.92 79.92 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-N 117.206 0.503 . . . . 61.25 112.159 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.33 143.73 48.96 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.862 2.375 . . . . 74.230000000000004 112.433 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -69.23 96.09 0.81 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.437 0.695 . . . . 73.349999999999994 109.456 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.87 102.91 1.0 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 110.927 -0.869 . . . . 43.210000000000001 110.927 -169.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -153.6 174.92 13.83 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.613 0.765 . . . . 73.340000000000003 111.84 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -102.54 28.53 5.94 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.013 0.925 . . . . 70.120000000000005 112.442 -171.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.9 115.59 14.67 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.758 0.651 . . . . 73.519999999999996 112.758 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . 0.418 ' OG ' ' HG2' ' B' ' 53' ' ' GLU . 54.7 p -84.8 175.88 8.87 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.458 -0.571 . . . . 60.329999999999998 109.458 166.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.0 -35.75 75.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.11 0.564 . . . . 74.340000000000003 111.832 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' B' ' 56' ' ' GLN . 40.3 t -68.22 -46.43 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 122.742 0.417 . . . . 71.010000000000005 110.563 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 15.2 mm-40 -58.75 -38.19 77.89 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.584 0.754 . . . . 70.420000000000002 111.953 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.535 HG12 HH21 ' B' ' 57' ' ' ARG . 84.9 mt -59.62 -48.04 88.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.608 0.763 . . . . 71.340000000000003 111.34 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.5 -43.6 71.95 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.567 0.747 . . . . 62.039999999999999 112.233 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 52' ' ' VAL . 67.5 mt-30 -60.02 -48.87 79.91 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.321 -0.854 . . . . 55.0 111.025 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.535 HH21 HG12 ' B' ' 54' ' ' ILE . 37.3 mtm105 -60.25 -38.39 83.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.633 0.773 . . . . 61.450000000000003 112.476 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.412 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -64.67 -39.73 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.166 0.586 . . . . 74.340000000000003 110.855 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.02 -50.04 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 122.779 0.432 . . . . 61.240000000000002 110.504 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.55 -34.49 74.23 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.379 0.672 . . . . 64.230000000000004 112.132 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.405 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 81.9 t80 -65.25 -49.27 70.29 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.804 0.842 . . . . 74.140000000000001 110.875 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 39' ' ' LEU . 84.3 mt -62.35 -54.9 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 123.434 0.693 . . . . 65.209999999999994 110.687 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.12 -29.69 68.78 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.938 0.895 . . . . 70.409999999999997 112.68 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.76 -45.67 91.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.521 0.728 . . . . 63.509999999999998 111.288 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.5 mt -65.72 -39.53 91.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.204 0.602 . . . . 72.409999999999997 111.352 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 14.9 mm100 -61.98 -58.07 9.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.027 0.931 . . . . 62.130000000000003 112.386 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.77 160.52 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.447 0.699 . . . . 72.319999999999993 112.244 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.857 0.863 . . . . 39.149999999999999 110.429 177.744 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.946 0.403 . . . . 74.0 111.977 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.54 -38.39 77.71 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.737 0.815 . . . . 74.450000000000003 110.794 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.633 ' HB3' HG22 ' B' ' 52' ' ' VAL . 9.2 ptm -67.46 -35.33 78.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.029 -0.987 . . . . 72.439999999999998 112.132 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.96 -38.17 79.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.748 0.819 . . . . 74.030000000000001 110.588 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.38 -41.64 98.79 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.824 -0.626 . . . . 72.109999999999999 110.75 171.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -62.53 -39.02 92.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.348 0.659 . . . . 72.140000000000001 111.347 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -65.24 -35.3 80.63 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.938 0.895 . . . . 75.239999999999995 112.65 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -61.74 -43.84 98.08 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.927 -0.579 . . . . 44.450000000000003 110.405 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -31.56 60.73 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.38 0.672 . . . . 61.299999999999997 112.214 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.1 mt -62.07 -45.12 94.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.032 0.378 . . . . 70.409999999999997 110.225 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -60.45 -19.45 56.45 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.339 0.866 . . . . 74.230000000000004 113.339 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.21 -39.41 15.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.167 0.587 . . . . 65.099999999999994 110.392 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.9 mt -72.66 -25.74 61.39 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.755 0.822 . . . . 72.230000000000004 111.936 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.2 t -94.5 108.66 38.23 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.711 0.804 . . . . 75.120000000000005 110.494 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.79 -9.26 17.0 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.514 2.143 . . . . 61.399999999999999 113.036 176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.03 9.08 58.43 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.501 0.56 . . . . 74.299999999999997 114.501 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.68 120.77 81.0 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 117.556 0.678 . . . . 74.230000000000004 110.847 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.23 144.42 80.95 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.669 2.246 . . . . 73.030000000000001 112.609 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -68.75 130.18 42.06 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.399 0.68 . . . . 70.040000000000006 111.574 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 40.47 94.57 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.461 0.476 . . . . 62.240000000000002 113.424 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 m -128.89 112.0 13.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.456 0.702 . . . . 73.140000000000001 110.643 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.17 95.57 4.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.237 0.615 . . . . 71.439999999999998 109.868 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.8 mt -77.11 113.62 15.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.952 -0.567 . . . . 60.229999999999997 110.163 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 42.0 t -60.93 158.31 13.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.772 0.429 . . . . 63.539999999999999 110.558 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.19 -34.93 33.84 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.187 0.81 . . . . 72.109999999999999 113.187 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.668 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.9 t -72.15 -42.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.5 0.72 . . . . 64.230000000000004 111.027 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 50' ' ' SER . 6.6 mm-40 -70.26 -27.29 64.32 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.846 0.858 . . . . 73.200000000000003 111.512 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.9 mt -64.04 -48.17 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.85 0.86 . . . . 62.340000000000003 110.056 172.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 36' ' ' LEU . 95.1 mt -52.81 -48.11 67.16 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.401 0.68 . . . . 74.340000000000003 111.793 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.461 HE21 HG12 ' A' ' 52' ' ' VAL . 68.0 mt-30 -62.18 -43.91 97.77 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.951 -1.022 . . . . 71.209999999999994 111.408 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -33.81 76.66 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.512 0.725 . . . . 72.329999999999998 111.44 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ILE . 93.1 t -68.11 -36.92 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 123.391 0.676 . . . . 71.319999999999993 110.785 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.39 -46.38 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 122.848 0.459 . . . . 73.510000000000005 110.422 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.88 -50.12 71.51 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 122.973 0.509 . . . . 72.510000000000005 111.303 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.78 -49.47 70.84 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.236 1.014 . . . . 74.209999999999994 112.26 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.7 mt -69.54 -37.06 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.005 0.522 . . . . 60.039999999999999 111.233 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.83 -30.77 71.06 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 112.534 0.568 . . . . 73.439999999999998 112.534 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.4 -31.04 63.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.094 0.558 . . . . 63.229999999999997 111.815 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.96 -29.89 50.08 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.33 0.586 . . . . 74.340000000000003 111.637 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 124.541 1.137 . . . . 74.099999999999994 110.129 177.385 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 CA--C 1.559 1.304 0 CA-C-O 121.267 0.556 . . . . 71.230000000000004 111.574 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -51.78 -39.5 58.74 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.734 1.213 . . . . 72.299999999999997 112.728 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.668 ' HG2' HG22 ' A' ' 52' ' ' VAL . 38.7 mtp -71.54 -40.7 69.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.01 -0.995 . . . . 50.140000000000001 112.169 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -64.3 -36.07 82.91 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.924 0.889 . . . . 75.5 111.915 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.4 -42.34 77.8 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.366 0.667 . . . . 74.5 111.191 173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.0 m -72.39 -39.9 67.62 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.421 0.689 . . . . 73.129999999999995 111.502 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.58 -36.21 73.61 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.83 0.852 . . . . 71.5 112.285 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 52.3 m -56.52 -49.29 75.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.516 0.726 . . . . 73.420000000000002 111.737 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -74.28 -26.33 60.13 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.36 0.504 . . . . 72.239999999999995 112.36 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.502 HD11 HD22 ' A' ' 55' ' ' LEU . 89.5 mt -58.84 -49.73 76.65 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.839 -0.43 . . . . 73.140000000000001 109.839 169.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -58.11 -28.62 64.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.848 0.684 . . . . 75.239999999999995 112.848 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.9 mm-40 -81.96 -43.33 18.2 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.313 0.645 . . . . 63.520000000000003 110.353 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.2 mt -78.25 -16.11 58.13 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.095 -0.957 . . . . 71.200000000000003 112.056 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 41.4 t -103.66 96.64 9.23 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.701 0.8 . . . . 75.530000000000001 110.542 174.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.41 -3.26 13.6 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.552 2.168 . . . . 73.319999999999993 112.583 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.71 -4.93 77.55 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.903 -0.387 . . . . 63.350000000000001 113.82 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' B' ' 57' ' ' ARG . 26.9 t -79.21 122.32 84.1 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 117.187 0.493 . . . . 74.209999999999994 110.045 171.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.489 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 20.3 Cg_endo -71.73 110.56 2.92 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 121.484 1.456 . . . . 64.120000000000005 110.394 169.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.42 91.14 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.641 0.776 . . . . 73.0 110.937 -170.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.32 20.95 1.71 Allowed Glycine 0 N--CA 1.48 1.633 0 CA-C-N 115.713 -0.676 . . . . 53.329999999999998 113.21 -175.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.509 HG23 ' HG ' ' B' ' 49' ' ' LEU . 9.7 t -87.57 -17.32 32.25 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.708 0.803 . . . . 43.43 112.513 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 61.94 78.76 0.28 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.423 1.089 . . . . 74.140000000000001 112.069 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.509 ' HG ' HG23 ' B' ' 47' ' ' THR . 76.2 mt -101.79 142.73 32.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.499 0.72 . . . . 63.229999999999997 110.922 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 t -85.18 175.6 8.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.845 0.458 . . . . 72.400000000000006 110.147 168.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -48.83 -37.85 20.56 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.666 1.186 . . . . 75.150000000000006 113.02 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.4 t -72.04 -47.4 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 123.426 0.69 . . . . 71.219999999999999 111.797 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' B' ' 49' ' ' LEU . 1.7 mp0 -67.28 -26.2 66.43 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.187 0.595 . . . . 74.430000000000007 112.187 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.87 -51.73 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.772 -0.455 . . . . 75.030000000000001 109.772 168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.52 -42.66 96.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.716 0.807 . . . . 62.32 111.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.564 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -59.84 -45.49 92.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.473 0.709 . . . . 74.439999999999998 110.874 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.709 ' HG2' HG22 ' B' ' 43' ' ' VAL . 0.3 OUTLIER -66.6 -34.49 78.01 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.552 0.741 . . . . 60.399999999999999 111.486 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.14 -41.85 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.387 0.675 . . . . 72.310000000000002 110.665 173.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.54 -48.06 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 122.71 0.404 . . . . 62.009999999999998 110.431 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -57.44 -41.86 81.33 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.546 0.738 . . . . 64.430000000000007 111.774 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.49 -51.1 70.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.572 1.149 . . . . 75.200000000000003 111.69 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 39' ' ' LEU . 87.9 mt -61.72 -47.42 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.363 0.665 . . . . 64.239999999999995 110.474 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -32.92 73.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.77 0.828 . . . . 73.310000000000002 112.441 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.38 -39.45 87.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.799 0.84 . . . . 72.530000000000001 110.799 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.12 -36.2 27.74 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.66 0.784 . . . . 72.129999999999995 111.81 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.59 -37.88 73.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.14 0.976 . . . . 74.25 112.084 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t 57.39 87.41 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.498 0 C-N-CA 124.421 1.089 . . . . 71.120000000000005 111.26 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 123.645 0.778 . . . . 73.109999999999999 111.113 -173.127 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 CA--C 1.563 1.471 0 N-CA-C 112.628 0.603 . . . . 75.25 112.628 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.09 -31.55 70.13 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.47 0.708 . . . . 73.040000000000006 111.151 174.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.631 ' HG2' HG22 ' B' ' 52' ' ' VAL . 34.4 mtp -66.5 -46.31 76.67 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.118 -0.946 . . . . 71.049999999999997 110.74 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 33' ' ' TYR . 45.2 t30 -63.62 -32.28 73.7 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.709 0.803 . . . . 73.519999999999996 111.779 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -62.41 -42.81 99.72 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 122.967 0.507 . . . . 75.219999999999999 110.265 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.86 -34.2 71.41 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.147 0.579 . . . . 63.210000000000001 111.656 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 30' ' ' ASN . 20.0 m-85 -64.58 -29.94 70.96 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.239 1.016 . . . . 60.219999999999999 111.501 176.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 42.4 t -58.15 -54.6 45.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.258 0.623 . . . . 73.209999999999994 110.656 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -62.01 -38.51 88.92 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.597 0.759 . . . . 71.430000000000007 112.759 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 55' ' ' LEU . 84.2 mt -56.21 -55.72 29.69 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.515 -0.55 . . . . 63.009999999999998 109.515 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG3' HG11 ' A' ' 43' ' ' VAL . 27.1 ttp180 -53.7 -31.7 48.99 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.598 1.159 . . . . 64.319999999999993 112.674 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' SER . 25.9 mm-40 -75.56 -37.55 59.86 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.055 0.455 . . . . 63.119999999999997 110.949 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.79 -12.06 43.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.773 0.829 . . . . 71.540000000000006 112.03 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 58' ' ' VAL . 97.4 t -103.31 110.77 64.37 Favored Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 123.609 0.764 . . . . 35.119999999999997 112.101 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.84 -17.71 32.45 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 123.215 2.61 . . . . 60.439999999999998 113.303 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.35 -27.93 66.33 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 114.047 0.379 . . . . 64.439999999999998 114.047 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG11 ' HG3' ' A' ' 37' ' ' ARG . 42.6 t -85.47 114.71 57.98 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 109.039 -0.726 . . . . 74.310000000000002 109.039 170.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.14 75.57 4.56 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.286 1.991 . . . . 64.439999999999998 113.16 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 59.5 -152.83 0.39 Allowed 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.136 0.975 . . . . 63.109999999999999 111.909 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.27 59.52 4.33 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 114.224 0.45 . . . . 74.019999999999996 114.224 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -76.22 -13.72 60.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.989 0.915 . . . . 44.439999999999998 110.589 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 69.8 87.31 0.12 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.204 1.402 . . . . 64.329999999999998 112.115 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 53' ' ' GLU . 88.9 mt -99.79 149.48 23.31 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.239 1.015 . . . . 63.299999999999997 109.163 172.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -72.44 -73.85 0.18 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 117.72 0.236 . . . . 61.130000000000003 111.448 -171.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.07 -54.23 0.07 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.514 0.561 . . . . 74.420000000000002 112.514 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.508 HG12 HE21 ' A' ' 56' ' ' GLN . 14.3 t -72.75 -34.81 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.667 0.387 . . . . 61.25 111.08 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.9 mm-40 -53.43 -46.49 69.83 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.048 0.939 . . . . 72.409999999999997 111.802 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.5 mt -58.26 -54.0 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 O-C-N 123.705 0.628 . . . . 61.020000000000003 110.25 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 96.4 mt -51.02 -47.89 61.56 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.156 0.983 . . . . 71.120000000000005 113.349 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.508 HE21 HG12 ' A' ' 52' ' ' VAL . 78.6 mt-30 -59.72 -42.52 93.29 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.575 0.75 . . . . 71.040000000000006 111.595 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -75.43 -23.58 56.98 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.578 0.751 . . . . 60.229999999999997 112.304 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' ILE . 88.0 t -68.1 -45.97 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 122.78 0.432 . . . . 74.219999999999999 109.857 172.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 32' ' ' CYS . 68.3 mt -55.49 -46.43 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.257 0.623 . . . . 62.420000000000002 110.061 172.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.2 -42.97 78.02 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.358 1.063 . . . . 72.310000000000002 112.067 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.81 -46.53 87.56 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.237 0.615 . . . . 74.120000000000005 111.682 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.1 mt -68.71 -37.03 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 C-N-CA 122.526 0.33 . . . . 32.100000000000001 111.21 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.14 -29.38 68.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.425 0.69 . . . . 73.329999999999998 111.5 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.21 77.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 122.934 0.494 . . . . 63.530000000000001 111.244 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.38 -37.48 25.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.744 0.818 . . . . 75.420000000000002 112.138 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 . . . . . 0 N--CA 1.493 1.697 0 C-N-CA 123.649 0.78 . . . . 75.219999999999999 112.87 -171.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.661 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 112.694 0.627 . . . . 73.140000000000001 112.694 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.09 -41.44 71.57 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.039 0.936 . . . . 71.299999999999997 111.564 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ttm -66.24 -41.39 90.09 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.666 1.186 . . . . 63.130000000000003 112.282 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 37.0 t-20 -70.78 -29.06 65.16 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.251 0.62 . . . . 61.210000000000001 111.257 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.615 0.721 . . . . 71.340000000000003 110.509 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 59' ' ' ILE . 75.5 m -69.22 -46.23 67.9 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.867 -1.06 . . . . 64.019999999999996 111.735 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.59 -30.74 70.01 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.786 0.835 . . . . 71.349999999999994 112.365 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.526 ' HA ' ' HE ' ' B' ' 37' ' ' ARG . 23.2 t -62.65 -52.83 61.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.914 0.486 . . . . 74.049999999999997 110.572 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.35 -31.41 72.56 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.868 0.692 . . . . 63.109999999999999 112.868 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 40' ' ' VAL . 73.1 mt -58.38 -52.59 64.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 110.172 -0.307 . . . . 41.43 110.172 172.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.526 ' HE ' ' HA ' ' B' ' 34' ' ' SER . 75.8 mtm180 -59.28 -27.23 65.65 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.895 0.878 . . . . 74.219999999999999 112.837 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.33 -32.55 20.95 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.489 0.716 . . . . 71.340000000000003 111.208 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.4 mt -87.26 -17.79 31.72 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.855 0.862 . . . . 54.039999999999999 112.286 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' B' ' 57' ' ' ARG . 58.1 t -93.39 106.64 21.31 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 123.275 0.63 . . . . 73.400000000000006 110.399 174.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.25 -10.48 16.3 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.822 2.348 . . . . 75.310000000000002 113.182 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.51 25.28 4.52 Favored Glycine 0 CA--C 1.54 1.627 0 N-CA-C 115.114 0.806 . . . . 71.400000000000006 115.114 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.03 120.54 70.74 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 123.333 0.653 . . . . 72.040000000000006 110.07 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.56 175.01 5.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.764 2.309 . . . . 72.099999999999994 113.9 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -88.3 105.94 17.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.229 0.612 . . . . 74.319999999999993 111.626 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.97 48.61 5.69 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 116.522 -0.308 . . . . 70.400000000000006 112.752 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -104.89 135.3 46.49 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.438 0.695 . . . . 73.439999999999998 111.874 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -102.19 91.82 4.47 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.728 0.811 . . . . 64.329999999999998 110.57 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.31 122.34 41.36 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.955 0.502 . . . . 65.439999999999998 111.204 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -73.42 172.84 10.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.355 0.662 . . . . 64.329999999999998 111.198 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.0 -46.43 21.7 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.784 1.234 . . . . 75.049999999999997 112.933 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.631 HG22 ' HG2' ' A' ' 29' ' ' MET . 3.4 t -71.63 -40.97 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 115.278 -0.874 . . . . 63.130000000000003 110.481 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.17 -26.59 66.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.731 0.812 . . . . 70.209999999999994 112.603 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.422 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.3 mt -67.14 -44.89 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.798 0.439 . . . . 71.140000000000001 110.155 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 36' ' ' LEU . 93.0 mt -56.73 -48.06 78.61 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.176 0.591 . . . . 75.019999999999996 111.019 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.437 HE21 HG12 ' B' ' 52' ' ' VAL . 75.1 mt-30 -57.44 -44.5 84.78 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.217 1.007 . . . . 75.120000000000005 111.368 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.693 ' HG3' HG11 ' B' ' 40' ' ' VAL . 5.3 tpm_? -58.94 -38.18 78.41 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.663 1.185 . . . . 71.420000000000002 111.888 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 54' ' ' ILE . 85.0 t -71.81 -39.83 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.803 0.841 . . . . 70.430000000000007 111.246 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 55' ' ' LEU . 71.5 mt -62.32 -45.31 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.563 0.345 . . . . 71.329999999999998 110.247 175.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -56.89 -43.61 81.5 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.667 0.787 . . . . 55.119999999999997 111.61 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.565 ' HB2' HG13 ' B' ' 40' ' ' VAL . 39.1 t80 -57.23 -51.78 67.98 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.044 0.938 . . . . 74.329999999999998 111.99 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 69.1 mt -65.47 -46.71 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.554 0.342 . . . . 55.329999999999998 110.491 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -30.22 71.31 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.307 0.643 . . . . 64.040000000000006 112.161 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.58 -34.48 78.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.138 0.975 . . . . 75.129999999999995 110.782 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.78 -39.99 56.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.652 0.781 . . . . 62.130000000000003 111.291 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 68.8 mm-40 -72.7 138.22 46.46 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.225 0.61 . . . . 62.43 112.189 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.79 141.75 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.283 0.633 . . . . 73.310000000000002 110.117 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 CA--C 1.563 1.476 0 C-N-CA 123.684 0.794 . . . . 62.020000000000003 109.973 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 1.3 m-20 . . . . . 0 CA--C 1.56 1.35 0 N-CA-C 113.15 0.796 . . . . 74.409999999999997 113.15 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.45 -39.09 86.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.713 0.805 . . . . 72.400000000000006 111.763 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' B' ' 52' ' ' VAL . 29.1 mtp -64.76 -43.29 93.78 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.332 -0.395 . . . . 64.140000000000001 111.243 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 27.6 t-20 -67.57 -30.29 69.87 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.54 0.736 . . . . 74.150000000000006 111.314 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.37 -40.02 81.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.518 0.727 . . . . 62.520000000000003 110.574 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.2 m -68.12 -39.39 82.76 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.113 -0.494 . . . . 73.400000000000006 111.101 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.71 -38.49 73.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.05 0.94 . . . . 73.530000000000001 112.357 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.0 p -64.29 -40.73 96.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.981 0.513 . . . . 71.129999999999995 110.123 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' HD13 ' B' ' 59' ' ' ILE . 64.8 ttt180 -64.83 -40.29 94.94 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.385 -0.825 . . . . 65.540000000000006 111.739 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.3 mt -61.55 -42.8 99.36 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.874 0.47 . . . . 73.239999999999995 111.41 174.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 54' ' ' ILE . 92.9 mtt180 -55.4 -28.36 53.61 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.541 0.736 . . . . 73.049999999999997 112.017 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.96 -32.59 20.02 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.959 0.903 . . . . 71.109999999999999 110.583 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD22 HE22 ' B' ' 66' ' ' GLN . 82.1 mt -85.71 -9.41 57.21 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.592 0.757 . . . . 65.150000000000006 112.966 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 36' ' ' LEU . 42.0 t -102.27 101.53 19.92 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 123.047 0.539 . . . . 73.200000000000003 110.348 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.81 -31.36 25.34 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.402 2.734 . . . . 72.150000000000006 113.729 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.96 66.3 3.8 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 121.37 0.428 . . . . 53.32 113.677 -175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.67 130.87 21.84 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.348 1.059 . . . . 72.099999999999994 109.924 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.8 118.54 5.52 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.443 2.096 . . . . 74.239999999999995 110.828 167.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -71.41 105.43 3.54 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.131 0.573 . . . . 73.129999999999995 110.804 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.74 35.68 1.83 Allowed Glycine 0 N--CA 1.477 1.429 0 CA-C-N 116.514 -0.312 . . . . 75.430000000000007 113.455 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 48' ' ' GLN . 20.7 m -104.73 -129.48 0.26 Allowed 'General case' 0 CA--C 1.569 1.696 0 C-N-CA 123.427 0.691 . . . . 75.150000000000006 109.164 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' H ' HG22 ' A' ' 47' ' ' THR . 96.8 mt-30 -130.43 -78.8 0.54 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 120.066 1.303 . . . . 75.310000000000002 110.561 -174.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 53' ' ' GLU . 18.2 mt 51.7 67.39 0.97 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.217 1.007 . . . . 73.239999999999995 112.268 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -78.11 -68.07 0.67 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.155 -0.475 . . . . 64.230000000000004 111.44 -176.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -127.28 -78.51 0.58 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.108 0.563 . . . . 55.240000000000002 111.083 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.4 t -73.86 -34.06 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 123.817 0.847 . . . . 72.349999999999994 111.82 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 49' ' ' LEU . 27.3 mt-10 -52.0 -37.96 55.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.503 1.121 . . . . 74.510000000000005 111.884 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.509 HD11 ' HE ' ' A' ' 37' ' ' ARG . 79.9 mt -62.94 -55.14 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.749 0.82 . . . . 73.319999999999993 110.519 173.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.9 -48.46 51.59 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.124 0.97 . . . . 75.420000000000002 112.719 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.7 -44.08 93.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.959 0.904 . . . . 72.140000000000001 112.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -74.5 -24.9 59.07 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.889 0.7 . . . . 73.450000000000003 112.889 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' B' ' 58' ' ' VAL . 77.2 t -70.96 -43.07 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.571 0.348 . . . . 62.329999999999998 110.464 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.93 -48.02 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.163 0.585 . . . . 70.409999999999997 110.271 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.21 -37.6 75.13 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.184 0.994 . . . . 74.439999999999998 112.019 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.01 -52.75 61.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.273 1.029 . . . . 74.140000000000001 111.359 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.56 -43.43 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 123.016 0.526 . . . . 74.540000000000006 111.342 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.64 -35.81 77.12 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.673 0.789 . . . . 63.200000000000003 112.51 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.04 -35.83 82.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.757 0.423 . . . . 65.200000000000003 111.06 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.11 -40.54 62.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.446 0.699 . . . . 73.540000000000006 111.506 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 124.192 0.997 . . . . 61.149999999999999 111.751 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 7.9 m-20 . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 112.334 0.494 . . . . 73.239999999999995 112.334 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.15 -39.26 78.32 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 122.964 0.506 . . . . 73.230000000000004 111.563 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.547 ' HG2' HG22 ' A' ' 52' ' ' VAL . 60.1 mtp -67.29 -39.84 86.01 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.9 0.48 . . . . 60.439999999999998 111.294 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 54.4 t-20 -62.19 -48.68 78.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.463 1.105 . . . . 73.430000000000007 110.985 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -61.03 -37.99 84.54 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.161 0.584 . . . . 32.100000000000001 111.563 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.31 -43.83 89.79 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.728 -0.669 . . . . 65.430000000000007 111.904 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . 0.411 ' O ' ' HG3' ' B' ' 37' ' ' ARG . 12.2 m-85 -66.54 -37.06 84.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.377 0.671 . . . . 74.349999999999994 111.923 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -61.75 -42.82 99.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.47 0.708 . . . . 62.149999999999999 110.808 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 52.4 mtp85 -68.17 -38.24 81.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.672 0.789 . . . . 74.400000000000006 112.734 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 40' ' ' VAL . 86.7 mt -58.12 -47.28 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.59 0.356 . . . . 41.329999999999998 111.055 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.526 ' NH2' HD11 ' B' ' 54' ' ' ILE . 86.5 mtt-85 -55.97 -31.48 63.04 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.54 0.736 . . . . 72.140000000000001 112.655 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.3 -39.91 38.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.376 0.671 . . . . 72.540000000000006 110.85 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 35' ' ' ARG . 73.7 mt -79.93 -23.62 41.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.64 -0.709 . . . . 63.039999999999999 112.832 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 19.4 t -97.26 107.32 37.67 Favored Pre-proline 0 N--CA 1.484 1.239 0 C-N-CA 122.877 0.471 . . . . 72.430000000000007 110.807 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.92 -7.43 18.31 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 123.063 2.508 . . . . 71.439999999999998 112.689 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -14.69 64.85 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.201 0.841 . . . . 74.230000000000004 115.201 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.58 116.99 60.11 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.791 0.795 . . . . 54.25 110.42 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.85 119.24 6.29 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.409 2.072 . . . . 61.409999999999997 111.95 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -55.32 104.49 0.13 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.572 0.749 . . . . 74.450000000000003 111.438 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.82 -34.91 1.65 Allowed Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 34.009999999999998 111.987 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -84.52 144.24 28.82 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.572 0.349 . . . . 70.310000000000002 110.63 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.55 -57.84 2.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.546 0.339 . . . . 64.340000000000003 111.062 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt 67.79 132.13 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 124.941 1.297 . . . . 75.099999999999994 111.921 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.7 p -100.5 -175.03 2.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.964 -0.46 . . . . 63.310000000000002 111.855 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -44.29 -52.4 7.58 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.786 1.773 . . . . 75.329999999999998 115.786 -162.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 29' ' ' MET . 10.7 t -72.3 -37.93 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 111.95 0.352 . . . . 74.310000000000002 111.95 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.37 -31.02 71.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.165 0.586 . . . . 74.409999999999997 111.793 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.526 HD11 ' NH2' ' B' ' 37' ' ' ARG . 92.0 mt -58.95 -52.38 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.192 0.597 . . . . 74.25 109.89 170.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.17 -46.77 82.5 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.36 0.664 . . . . 72.439999999999998 111.939 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.533 HE21 HG12 ' B' ' 52' ' ' VAL . 77.0 mt-30 -59.76 -40.07 86.94 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.889 0.876 . . . . 53.32 112.104 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.47 -37.83 77.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.751 0.82 . . . . 74.239999999999995 111.383 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' A' ' 58' ' ' VAL . 82.5 t -66.47 -45.7 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.541 0.736 . . . . 75.120000000000005 111.089 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 89.1 mt -55.15 -49.49 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.046 0.538 . . . . 75.219999999999999 110.295 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.87 -39.5 85.46 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.587 0.755 . . . . 53.310000000000002 112.216 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -45.9 83.56 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.843 0.857 . . . . 75.340000000000003 111.069 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 39' ' ' LEU . 55.4 mt -70.71 -37.85 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.13 0.572 . . . . 65.319999999999993 111.262 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 87.3 mt -63.27 -35.28 79.84 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.414 0.686 . . . . 74.329999999999998 111.62 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.31 -41.96 98.97 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.161 0.584 . . . . 65.349999999999994 110.962 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.11 -33.53 74.68 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.218 0.607 . . . . 63.130000000000003 112.143 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.52 HE22 HD22 ' A' ' 39' ' ' LEU . 46.0 mt-30 -82.04 -60.97 2.04 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 112.932 0.716 . . . . 65.109999999999999 112.932 -176.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -87.87 10.55 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 122.517 1.151 . . . . 70.150000000000006 112.994 -165.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 CA--C 1.565 1.545 0 C-N-CA 124.331 1.052 . . . . 54.0 109.265 172.085 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 114.041 1.126 . . . . 74.310000000000002 114.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.48 -33.1 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.037 0.935 . . . . 61.229999999999997 111.893 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.572 ' HG2' HG22 ' B' ' 52' ' ' VAL . 25.3 mtp -60.68 -37.41 81.5 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.647 0.779 . . . . 63.43 111.606 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.82 -41.86 95.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.037 0.935 . . . . 54.439999999999998 111.296 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.5 -37.23 82.53 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.495 0.718 . . . . 63.020000000000003 111.104 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.62 -50.22 70.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.192 0.597 . . . . 53.210000000000001 110.957 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -62.43 -36.61 82.93 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.2 1.0 . . . . 72.239999999999995 112.749 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 t -60.92 -48.21 82.86 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.013 0.525 . . . . 61.25 111.307 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.427 HH21 HG21 ' B' ' 59' ' ' ILE . 30.2 ttp180 -74.93 -24.75 58.54 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.979 0.511 . . . . 72.349999999999994 112.192 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.0 mt -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 120.747 0.308 . . . . 71.140000000000001 110.334 169.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -59.33 -18.59 39.37 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.965 0.906 . . . . 74.510000000000005 112.886 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.22 -29.13 14.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.993 0.917 . . . . 72.209999999999994 111.428 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 82.2 mt -83.3 -27.1 30.03 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.903 0.881 . . . . 71.150000000000006 112.608 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 57' ' ' ARG . 44.6 t -87.8 109.4 26.76 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.308 0.643 . . . . 73.150000000000006 109.733 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.05 -24.62 52.23 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.927 2.418 . . . . 73.329999999999998 113.354 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.65 44.75 3.4 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 114.528 0.571 . . . . 62.109999999999999 114.528 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -96.02 110.36 51.49 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 123.289 0.635 . . . . 75.019999999999996 109.423 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.09 130.83 26.75 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.534 2.156 . . . . 73.230000000000004 111.968 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -60.79 131.4 50.58 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.285 0.634 . . . . 72.109999999999999 112.067 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.42 -3.27 63.52 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.104 0.802 . . . . 74.310000000000002 115.104 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.2 m -90.5 109.65 20.79 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 117.823 0.811 . . . . 65.319999999999993 110.541 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.46 104.82 2.86 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 121.533 0.682 . . . . 72.0 110.895 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.61 114.76 19.73 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.772 -0.649 . . . . 75.540000000000006 110.82 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.492 ' HB2' ' HG2' ' A' ' 53' ' ' GLU . 19.7 m -66.11 165.35 13.73 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.459 0.704 . . . . 62.149999999999999 110.784 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -38.16 69.08 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.296 0.638 . . . . 73.299999999999997 112.354 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.545 HG12 HE21 ' A' ' 56' ' ' GLN . 17.5 t -72.34 -38.74 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.125 0.57 . . . . 61.009999999999998 111.123 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 50' ' ' SER . 23.9 mm-40 -65.85 -34.85 79.1 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.358 0.663 . . . . 74.019999999999996 111.92 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.34 -44.44 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.304 0.642 . . . . 73.329999999999998 110.273 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD22 HD11 ' B' ' 36' ' ' LEU . 89.3 mt -56.34 -48.18 77.29 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.265 0.626 . . . . 74.549999999999997 111.202 174.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.545 HE21 HG12 ' A' ' 52' ' ' VAL . 76.6 mt-30 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.105 0.962 . . . . 65.319999999999993 112.561 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 mmp_? -67.77 -38.42 83.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.491 0.716 . . . . 75.319999999999993 111.779 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' B' ' 58' ' ' VAL . 75.0 t -69.2 -45.02 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.407 0.683 . . . . 74.310000000000002 111.508 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.51 -48.73 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.296 0.639 . . . . 74.319999999999993 110.65 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.99 -31.87 72.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.244 0.617 . . . . 71.319999999999993 111.567 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.0 -48.82 77.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.582 0.753 . . . . 55.310000000000002 110.979 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' B' ' 39' ' ' LEU . 57.6 mt -71.72 -44.9 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.482 0.713 . . . . 74.219999999999999 111.117 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.59 -29.53 70.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.888 0.875 . . . . 72.329999999999998 112.423 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.25 -42.23 96.59 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.547 0.739 . . . . 61.240000000000002 110.783 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.48 -33.41 64.82 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.748 0.819 . . . . 74.230000000000004 111.733 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.483 1.211 0 C-N-CA 123.502 0.721 . . . . 64.109999999999999 110.918 177.327 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 113.558 0.947 . . . . 74.209999999999994 113.558 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.12 -35.77 69.86 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.262 0.625 . . . . 74.420000000000002 111.421 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ttm -56.64 -44.94 81.76 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.967 0.907 . . . . 73.030000000000001 112.148 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -66.26 -38.16 87.2 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.08 0.552 . . . . 73.310000000000002 110.968 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.76 -33.11 73.35 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.147 0.579 . . . . 71.120000000000005 111.907 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 95.0 m -70.53 -41.96 71.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.308 0.643 . . . . 54.549999999999997 111.467 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -62.31 -35.19 78.29 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.672 0.789 . . . . 63.200000000000003 111.654 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.2 t -59.72 -42.75 93.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.574 0.749 . . . . 74.340000000000003 111.066 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.25 -29.11 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.052 -0.522 . . . . 73.409999999999997 112.292 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.3 mt -60.17 -45.74 92.07 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 62.240000000000002 110.123 170.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -58.24 -24.27 58.73 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.96 0.904 . . . . 71.129999999999995 113.041 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.09 -31.41 16.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.369 0.667 . . . . 75.439999999999998 111.403 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.476 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.0 mt -87.68 -15.48 37.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.848 0.859 . . . . 73.040000000000006 113.298 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 36' ' ' LEU . 20.3 t -100.03 103.85 25.22 Favored Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 122.792 0.437 . . . . 74.510000000000005 110.509 176.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.01 -11.14 15.09 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.943 2.429 . . . . 73.510000000000005 112.936 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.09 41.99 3.13 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 123.079 0.371 . . . . 43.310000000000002 113.129 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.53 110.73 52.54 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.976 0.91 . . . . 74.439999999999998 109.132 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.454 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 45.0 Cg_exo -59.06 155.98 36.5 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.983 2.456 . . . . 74.420000000000002 113.924 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -65.69 125.31 24.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.332 0.653 . . . . 74.400000000000006 111.004 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.73 31.45 64.08 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 114.678 0.631 . . . . 71.209999999999994 114.678 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' B' ' 44' ' ' PRO . 8.8 t -70.79 -20.11 62.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.854 0.687 . . . . 71.420000000000002 112.854 -176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.402 1.081 . . . . 71.409999999999997 111.422 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' B' ' 53' ' ' GLU . 86.4 mt -123.5 161.62 24.51 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.271 1.034 . . . . 60.310000000000002 113.513 -172.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . 0.549 ' H ' ' HB2' ' B' ' 53' ' ' GLU . 25.0 t -116.76 173.57 6.56 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.937 1.695 . . . . 62.43 109.327 170.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.99 -40.69 67.17 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.546 0.738 . . . . 74.340000000000003 112.016 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.585 HG12 HE21 ' B' ' 56' ' ' GLN . 18.2 t -67.0 -45.5 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.256 0.623 . . . . 60.240000000000002 110.51 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 50' ' ' SER . 19.3 mm-40 -60.89 -34.1 74.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.031 . . . . 72.420000000000002 112.091 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.4 ' O ' HG23 ' B' ' 58' ' ' VAL . 91.2 mt -61.29 -53.15 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.101 0.561 . . . . 71.340000000000003 109.578 173.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.424 ' O ' HG13 ' B' ' 59' ' ' ILE . 95.6 mt -53.85 -41.1 67.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.623 0.769 . . . . 72.530000000000001 111.857 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.585 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -63.33 -52.04 63.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.61 0.764 . . . . 75.120000000000005 111.601 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -30.75 69.55 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 123.341 0.656 . . . . 43.140000000000001 111.757 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' A' ' 58' ' ' VAL . 56.0 t -65.99 -48.18 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.485 0.714 . . . . 63.240000000000002 110.678 173.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.427 HG21 HH21 ' A' ' 35' ' ' ARG . 86.8 mt -57.47 -47.79 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.972 0.509 . . . . 72.219999999999999 110.38 176.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.14 -44.4 79.2 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.018 0.927 . . . . 72.530000000000001 111.983 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -59.2 -48.49 81.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.092 0.957 . . . . 75.310000000000002 111.8 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 63.1 mt -68.97 -28.51 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 123.218 0.607 . . . . 52.530000000000001 111.371 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 77.9 mt -64.15 -30.38 71.44 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.83 0.678 . . . . 54.32 112.83 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.51 -32.43 62.5 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.265 0.626 . . . . 52.310000000000002 111.863 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.4 mt -74.18 -35.79 64.02 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.415 0.686 . . . . 74.319999999999993 111.51 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -100.18 -177.65 3.59 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.822 1.249 . . . . 75.120000000000005 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.93 103.91 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 108.533 -0.914 . . . . 71.319999999999993 108.533 167.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.843 0.857 . . . . 72.019999999999996 112.866 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.088 -0.338 . . . . 72.400000000000006 110.088 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.46 -38.64 71.96 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.795 1.238 . . . . 75.239999999999995 112.812 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' HG22 ' B' ' 52' ' ' VAL . 4.7 ttm -64.82 -46.92 79.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.361 0.665 . . . . 71.450000000000003 111.805 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -63.45 -34.6 78.11 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 123.716 0.806 . . . . 73.209999999999994 111.037 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.23 -36.77 77.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.049 0.939 . . . . 74.340000000000003 110.974 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.18 -39.0 82.65 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.918 -0.583 . . . . 73.200000000000003 111.242 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' HD1' HG21 ' A' ' 54' ' ' ILE . 20.6 m-85 -62.82 -35.33 79.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.773 0.829 . . . . 72.099999999999994 111.58 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.4 t -60.51 -46.81 88.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.301 0.64 . . . . 72.120000000000005 110.778 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.13 -37.63 87.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.713 0.805 . . . . 71.329999999999998 112.924 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 HD22 ' B' ' 55' ' ' LEU . 91.9 mt -59.18 -49.03 79.41 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.903 -0.406 . . . . 74.140000000000001 109.903 175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' HE ' HD12 ' A' ' 49' ' ' LEU . 63.7 mtp180 -63.43 -18.62 63.93 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 113.406 0.891 . . . . 74.540000000000006 113.406 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' SER . 53.8 mm-40 -85.17 -43.83 13.48 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.262 0.553 . . . . 72.439999999999998 110.676 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD21 HD23 ' B' ' 63' ' ' LEU . 83.6 mt -75.38 -24.04 57.18 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.043 0.937 . . . . 75.120000000000005 112.542 -175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' HG2' ' A' ' 57' ' ' ARG . 44.0 t -93.24 105.94 17.75 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 123.373 0.669 . . . . 71.030000000000001 110.223 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -84.01 3.52 7.56 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.03 2.487 . . . . 75.340000000000003 113.141 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.17 32.98 4.18 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.123 0.392 . . . . 62.329999999999998 113.962 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.15 110.91 32.29 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.715 0.806 . . . . 72.049999999999997 109.634 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.75 79.35 1.94 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 123.012 2.475 . . . . 73.409999999999997 114.892 -168.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? 53.35 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.411 1.484 . . . . 71.420000000000002 112.888 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -107.81 2.26 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-O 119.357 -0.691 . . . . 73.540000000000006 111.516 -173.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m 65.48 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.024 1.329 . . . . 34.399999999999999 113.065 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.41 -46.37 83.55 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.099 -0.376 . . . . 74.200000000000003 111.2 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' HE ' ' A' ' 37' ' ' ARG . 95.6 mt 64.65 112.58 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.996 1.318 . . . . 75.329999999999998 110.665 -168.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -62.1 150.8 37.39 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 110.329 -0.248 . . . . 74.209999999999994 110.329 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -56.2 -35.11 66.91 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.33 1.052 . . . . 74.209999999999994 112.159 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' B' ' 29' ' ' MET . 19.4 t -73.38 -47.0 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.094 0.557 . . . . 63.039999999999999 110.853 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -54.31 -30.26 50.54 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.423 1.089 . . . . 73.349999999999994 112.68 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.0 mt -61.42 -55.95 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 122.827 0.451 . . . . 62.219999999999999 109.939 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 36' ' ' LEU . 96.1 mt -56.08 -45.59 79.3 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.61 0.764 . . . . 74.239999999999995 112.207 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.83 -35.37 80.49 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.986 0.914 . . . . 64.219999999999999 111.662 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG2' HG11 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -73.54 -30.91 63.37 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.243 0.617 . . . . 54.399999999999999 111.049 176.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.2 t -70.66 -44.14 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.281 0.633 . . . . 74.120000000000005 110.52 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 83.7 mt -58.51 -50.18 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 122.835 0.454 . . . . 65.510000000000005 109.957 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -47.28 43.95 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.95 1.3 . . . . 75.340000000000003 111.431 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.25 -42.28 96.59 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.457 1.103 . . . . 70.430000000000007 112.339 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 66.8 mt -71.73 -26.94 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 122.686 0.394 . . . . 70.120000000000005 110.691 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.2 mt -67.53 -33.47 75.13 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.032 0.533 . . . . 74.140000000000001 110.747 171.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.91 -38.81 83.4 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.631 0.772 . . . . 74.319999999999993 110.861 172.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.62 -46.27 79.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.279 0.632 . . . . 74.230000000000004 111.127 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 124.387 1.075 . . . . 63.200000000000003 111.865 -178.259 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' B' ' 30' ' ' ASN . 18.8 m-20 . . . . . 0 C--O 1.237 0.419 0 N-CA-C 107.829 -1.174 . . . . 74.209999999999994 107.829 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.31 -35.06 67.12 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 121.669 0.747 . . . . 63.409999999999997 109.887 165.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.5 mtp -67.14 -31.28 71.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.461 1.104 . . . . 64.040000000000006 112.02 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 8.8 t30 -63.77 -35.67 81.36 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.961 0.904 . . . . 75.109999999999999 111.352 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -64.04 -31.99 73.38 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.316 0.646 . . . . 73.129999999999995 111.454 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -73.82 -46.28 46.22 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.226 0.61 . . . . 74.030000000000001 111.001 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.01 -30.41 67.98 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.282 1.033 . . . . 72.129999999999995 112.289 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -59.15 -54.73 43.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.512 0.725 . . . . 54.539999999999999 110.978 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.2 -24.55 63.14 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.102 0.778 . . . . 74.140000000000001 113.102 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.529 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.8 mt -60.98 -53.13 61.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.567 -0.531 . . . . 53.039999999999999 109.567 168.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.62 -24.28 65.38 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.582 0.753 . . . . 73.040000000000006 112.906 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -86.7 -22.57 25.98 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.873 0.469 . . . . 62.140000000000001 111.893 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.5 8.31 31.35 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.041 0.756 . . . . 73.200000000000003 113.041 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.725 HG11 ' HB3' ' B' ' 57' ' ' ARG . 36.9 t -114.43 112.12 46.33 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.799 -0.563 . . . . 75.030000000000001 111.742 175.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.55 -11.91 9.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.158 2.572 . . . . 55.520000000000003 113.962 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.14 55.42 4.57 Favored Glycine 0 N--CA 1.481 1.659 0 C-N-CA 122.868 0.271 . . . . 60.420000000000002 113.153 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.85 140.07 32.43 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 124.366 1.066 . . . . 73.230000000000004 109.739 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.414 ' O ' HG22 ' B' ' 47' ' ' THR . 65.1 Cg_exo -53.96 150.46 30.59 Favored 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 122.257 1.971 . . . . 74.109999999999999 112.714 167.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' B' ' 45' ' ' ARG . 5.1 mpt_? -88.03 -32.72 18.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.057 0.543 . . . . 72.400000000000006 111.118 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.13 63.87 1.2 Allowed Glycine 0 CA--C 1.537 1.417 0 CA-C-N 116.347 -0.388 . . . . 71.010000000000005 112.257 172.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.414 HG22 ' O ' ' B' ' 44' ' ' PRO . 6.1 t -152.53 164.35 37.78 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.415 0.626 . . . . 45.229999999999997 111.816 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.8 -19.02 12.15 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.081 -0.963 . . . . 54.420000000000002 110.147 168.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.16 172.88 0.3 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.373 1.469 . . . . 73.439999999999998 111.918 -170.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 46.7 t -103.13 169.05 8.79 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.298 -0.864 . . . . 73.219999999999999 109.595 166.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -49.73 72.0 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.592 0.757 . . . . 75.409999999999997 112.689 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' MET . 42.0 t -71.31 -33.24 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.709 0.404 . . . . 72.420000000000002 110.977 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.1 mm-40 -57.96 -40.53 80.8 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.36 0.664 . . . . 64.120000000000005 112.175 173.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.62 -51.54 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 122.963 0.505 . . . . 64.340000000000003 110.975 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 36' ' ' LEU . 65.1 mt -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.04 0.536 . . . . 75.430000000000007 111.847 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.6 -33.52 75.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.103 0.779 . . . . 73.299999999999997 113.103 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.725 ' HB3' HG11 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -64.24 -35.56 81.22 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.201 0.455 . . . . 75.450000000000003 110.359 175.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.13 -44.23 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 123.539 0.736 . . . . 53.25 110.919 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.94 -56.84 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.756 0.822 . . . . 73.299999999999997 111.47 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.3 -31.5 72.67 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.593 0.757 . . . . 74.329999999999998 112.839 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.68 -54.86 42.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.419 0.688 . . . . 52.539999999999999 110.575 171.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.18 -43.09 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 123.894 0.878 . . . . 75.519999999999996 111.758 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 39' ' ' LEU . 71.6 mt -53.43 -47.34 69.71 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.021 0.928 . . . . 62.329999999999998 111.824 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.72 -31.24 72.35 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.655 -0.702 . . . . 75.409999999999997 111.677 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.63 -36.39 57.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.46 0.704 . . . . 74.239999999999995 111.74 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.63 -80.27 0.17 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.394 1.078 . . . . 65.329999999999998 111.804 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.53 130.63 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.703 0.801 . . . . 63.310000000000002 111.41 -172.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 CA--C 1.569 1.685 0 C-N-CA 123.635 0.774 . . . . 53.119999999999997 111.538 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 121.55 0.69 . . . . 65.349999999999994 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.73 -39.99 74.91 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.583 1.153 . . . . 55.549999999999997 112.916 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.504 ' HB3' HG22 ' B' ' 52' ' ' VAL . 2.4 ptp -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.867 -0.606 . . . . 55.329999999999998 112.325 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.26 -36.0 82.78 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.373 0.669 . . . . 73.340000000000003 111.071 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -66.5 -38.49 87.35 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 122.641 0.376 . . . . 72.409999999999997 110.752 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.08 -31.43 71.05 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.553 0.741 . . . . 72.040000000000006 112.078 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -66.59 -39.46 88.42 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.011 0.924 . . . . 63.439999999999998 111.627 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -59.94 -45.67 91.88 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 73.5 110.501 171.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HD3' HD13 ' B' ' 59' ' ' ILE . 15.5 ttt180 -64.11 -33.53 75.98 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.336 1.054 . . . . 74.239999999999995 112.393 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 HD22 ' B' ' 55' ' ' LEU . 86.4 mt -59.9 -56.78 17.53 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.974 0.51 . . . . 63.350000000000001 110.194 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 54' ' ' ILE . 32.6 mtp180 -57.75 -21.54 41.89 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.247 1.019 . . . . 65.129999999999995 113.342 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -82.69 -29.39 29.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.756 0.822 . . . . 75.519999999999996 111.586 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.9 -8.89 24.94 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.889 0.876 . . . . 44.25 112.397 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG21 HG22 ' A' ' 58' ' ' VAL . 60.1 t -114.46 104.5 54.48 Favored Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 123.472 0.709 . . . . 65.140000000000001 110.935 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.24 -178.02 3.92 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.501 2.134 . . . . 61.240000000000002 112.606 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.43 89.91 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 116.257 -0.429 . . . . 64.010000000000005 113.339 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -82.36 116.15 62.04 Favored Pre-proline 0 CA--C 1.556 1.195 0 C-N-CA 123.771 0.828 . . . . 74.310000000000002 109.003 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.35 136.51 55.61 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.821 2.347 . . . . 70.209999999999994 112.435 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -67.74 114.23 6.17 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.727 0.811 . . . . 74.040000000000006 112.102 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.36 4.02 66.62 Favored Glycine 0 N--CA 1.474 1.207 0 CA-C-N 116.135 -0.484 . . . . 52.329999999999998 113.859 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.0 m -94.09 132.66 38.37 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.464 0.705 . . . . 62.130000000000003 110.53 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.28 -46.51 64.17 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.328 0.651 . . . . 65.140000000000001 111.479 -175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt 62.42 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.063 1.345 . . . . 63.409999999999997 113.03 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -67.01 151.04 48.39 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.09 -0.504 . . . . 72.530000000000001 110.548 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.0 -37.82 72.21 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.605 0.762 . . . . 73.409999999999997 112.867 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.14 -38.81 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.558 0.343 . . . . 74.310000000000002 111.094 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -36.58 77.57 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.173 0.589 . . . . 71.099999999999994 110.384 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.3 mt -63.89 -41.47 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 C-N-CA 123.068 0.547 . . . . 72.200000000000003 111.076 175.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 122.823 0.449 . . . . 74.239999999999995 111.689 173.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -68.71 -33.61 74.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.205 1.002 . . . . 73.319999999999993 111.74 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -61.27 -43.07 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.659 0.784 . . . . 72.230000000000004 110.606 170.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 40' ' ' VAL . 96.7 t -64.02 -46.02 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.465 0.706 . . . . 73.420000000000002 111.223 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.26 -48.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.41 0.684 . . . . 75.450000000000003 110.713 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.1 -36.64 82.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.271 1.028 . . . . 73.200000000000003 111.232 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.75 -45.58 92.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.056 0.942 . . . . 73.129999999999995 111.508 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' B' ' 39' ' ' LEU . 60.5 mt -67.79 -36.91 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 116.294 -0.412 . . . . 63.25 110.61 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.98 -30.36 71.34 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.354 0.662 . . . . 74.349999999999994 111.696 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.11 -32.57 72.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.874 0.87 . . . . 71.230000000000004 111.145 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.94 -41.12 60.25 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.621 0.768 . . . . 72.510000000000005 111.686 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 15.0 mm100 . . . . . 0 N--CA 1.483 1.221 0 C-N-CA 123.992 0.917 . . . . 75.540000000000006 111.469 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 121.834 0.826 . . . . 63.119999999999997 112.068 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.43 -27.75 68.78 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.595 -1.184 . . . . 73.329999999999998 110.874 176.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -55.35 30.31 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.634 0.774 . . . . 70.340000000000003 110.608 171.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 29.1 t-20 -64.47 -27.44 68.99 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.007 0.923 . . . . 75.340000000000003 111.906 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.87 -54.99 30.82 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.836 0.855 . . . . 73.340000000000003 110.643 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.11 -31.6 62.86 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.303 -0.862 . . . . 74.340000000000003 112.17 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . 0.555 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 11.8 m-85 -61.3 -41.94 97.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.604 0.762 . . . . 73.340000000000003 112.176 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -62.66 -45.62 91.99 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.147 0.579 . . . . 73.140000000000001 110.188 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -30.85 71.91 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 124.175 0.99 . . . . 71.120000000000005 111.655 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 40' ' ' VAL . 79.6 mt -63.04 -50.31 71.13 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.676 0.39 . . . . 73.540000000000006 110.142 170.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.408 HH21 HD11 ' B' ' 54' ' ' ILE . 51.3 mtt180 -55.48 -25.95 39.75 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.601 0.76 . . . . 75.129999999999995 112.59 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -76.35 -38.56 55.68 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.247 0.546 . . . . 74.430000000000007 110.454 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.9 mt -87.44 -16.09 35.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.81 0.844 . . . . 74.230000000000004 113.148 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 36' ' ' LEU . 60.6 t -94.34 107.81 31.91 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 123.03 0.532 . . . . 74.349999999999994 111.217 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.47 7.57 4.7 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.464 2.776 . . . . 54.439999999999998 113.25 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.07 35.53 3.77 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 123.066 0.365 . . . . 72.200000000000003 113.162 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.69 101.98 39.38 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.521 0.729 . . . . 75.450000000000003 109.948 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.69 153.01 79.47 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.031 2.487 . . . . 74.530000000000001 112.629 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.32 100.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.499 1.119 . . . . 71.329999999999998 113.743 -171.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.19 -6.16 63.57 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.546 -0.752 . . . . 72.25 114.359 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 55.9 m -69.83 102.63 1.99 Allowed 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.725 0.762 . . . . 72.530000000000001 110.675 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -75.09 96.92 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.589 0.755 . . . . 64.299999999999997 110.231 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.86 133.66 44.52 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.761 -0.654 . . . . 42.009999999999998 111.195 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.5 p -89.93 -174.63 4.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.316 0.646 . . . . 63.32 110.377 171.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.8 -43.01 90.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.405 0.682 . . . . 71.040000000000006 112.834 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.9 t -70.62 -38.32 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.816 0.446 . . . . 71.049999999999997 111.072 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.532 ' HA ' HE21 ' B' ' 56' ' ' GLN . 33.9 mm-40 -55.8 -39.06 70.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.77 0.828 . . . . 61.329999999999998 111.896 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.408 HD11 HH21 ' B' ' 37' ' ' ARG . 93.3 mt -54.09 -54.89 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.82 0.848 . . . . 61.140000000000001 111.302 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 36' ' ' LEU . 86.5 mt -56.14 -46.18 79.33 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.757 0.823 . . . . 75.340000000000003 111.636 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.532 HE21 ' HA ' ' B' ' 53' ' ' GLU . 20.3 mt-30 -63.73 -41.66 98.02 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.921 -1.036 . . . . 71.200000000000003 112.187 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -65.62 -36.94 85.18 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.058 0.943 . . . . 75.019999999999996 111.749 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 58' ' ' VAL . 68.3 t -61.62 -48.97 86.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 CA-C-N 115.677 -0.692 . . . . 62.25 110.635 173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.541 HD13 ' HD3' ' A' ' 35' ' ' ARG . 89.8 mt -55.79 -48.93 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.361 0.664 . . . . 74.129999999999995 110.938 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.66 -48.09 75.62 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.607 0.763 . . . . 73.519999999999996 111.904 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -56.63 -48.04 78.37 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.079 0.952 . . . . 71.530000000000001 112.066 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.98 -37.4 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 115.652 -0.704 . . . . 73.099999999999994 111.496 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.21 -41.71 84.62 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.375 0.88 . . . . 71.409999999999997 113.375 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.09 -30.87 71.02 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.09 0.556 . . . . 74.219999999999999 112.157 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.93 -32.65 45.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.909 0.484 . . . . 74.319999999999993 111.447 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -99.64 -179.75 4.29 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.641 1.176 . . . . 71.439999999999998 111.676 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -94.48 126.63 46.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.2 0.6 . . . . 72.540000000000006 109.478 168.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.562 1.427 0 C-N-CA 123.451 0.701 . . . . 74.5 110.503 -175.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 112.362 0.504 . . . . 53.100000000000001 112.362 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.07 -31.97 73.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.601 0.76 . . . . 63.25 111.186 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' B' ' 52' ' ' VAL . 36.8 mtp -57.75 -41.21 81.44 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.617 -0.72 . . . . 74.209999999999994 111.178 175.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.49 -36.53 82.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.965 0.906 . . . . 75.030000000000001 111.238 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -64.64 -41.54 96.07 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.962 0.505 . . . . 73.120000000000005 110.661 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.3 m -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.381 0.672 . . . . 70.150000000000006 111.746 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.83 -34.66 78.29 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.954 0.902 . . . . 73.239999999999995 112.094 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -64.54 -38.89 92.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.913 0.485 . . . . 52.329999999999998 111.033 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -75.17 -27.74 59.78 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 113.502 0.927 . . . . 72.230000000000004 113.502 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . 90.3 mt -61.77 -46.67 88.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.58 -0.526 . . . . 70.120000000000005 109.58 169.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -56.76 -30.3 63.45 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.484 0.714 . . . . 65.140000000000001 112.833 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.01 -34.65 75.61 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.252 0.549 . . . . 74.450000000000003 111.196 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.66 HD22 HE22 ' B' ' 66' ' ' GLN . 78.6 mt -99.5 -2.23 36.44 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.344 0.868 . . . . 63.340000000000003 113.344 -170.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' LEU . 43.1 t -111.43 103.88 55.51 Favored Pre-proline 0 N--CA 1.493 1.718 0 CA-C-N 118.08 0.4 . . . . 52.229999999999997 111.83 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -79.64 -4.75 13.71 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 123.08 2.52 . . . . 42.32 113.081 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.99 14.59 19.59 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.411 0.525 . . . . 73.0 114.411 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HG2' ' A' ' 57' ' ' ARG . 99.2 t -84.85 127.71 63.77 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 123.81 0.844 . . . . 62.329999999999998 110.147 172.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.99 170.81 13.51 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.44 2.093 . . . . 61.329999999999998 113.219 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -71.67 -32.41 67.85 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.852 0.461 . . . . 60.329999999999998 110.769 171.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.95 -156.52 32.76 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.213 -0.449 . . . . 63.43 112.258 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 m 66.33 102.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.645 1.178 . . . . 61.409999999999997 111.993 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.74 108.76 3.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.997 0.519 . . . . 74.109999999999999 109.931 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.38 97.17 2.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 121.112 0.482 . . . . 64.140000000000001 111.626 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.2 m -73.78 161.72 29.91 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.167 -0.679 . . . . 74.239999999999995 109.167 165.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -49.16 -38.06 24.32 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.38 0.881 . . . . 73.209999999999994 113.38 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.657 HG12 HE21 ' A' ' 56' ' ' GLN . 21.7 t -72.92 -43.63 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.15 0.58 . . . . 73.329999999999998 111.255 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.1 -34.14 74.48 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.902 0.881 . . . . 73.030000000000001 112.069 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' VAL . 93.8 mt -59.71 -50.68 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.581 0.753 . . . . 54.520000000000003 110.691 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HD11 ' B' ' 36' ' ' LEU . 57.0 mt -57.22 -43.58 82.99 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.419 0.45 . . . . 63.229999999999997 111.517 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.657 HE21 HG12 ' A' ' 52' ' ' VAL . 76.2 mt-30 -59.31 -39.83 84.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 73.420000000000002 111.884 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.47 -38.75 92.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.798 0.439 . . . . 65.319999999999993 111.587 175.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.2 t -68.98 -44.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.086 0.554 . . . . 74.340000000000003 111.84 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.67 -50.46 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.751 0.82 . . . . 74.439999999999998 111.254 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.23 -36.78 85.18 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.601 0.761 . . . . 73.140000000000001 112.104 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.29 -48.03 79.96 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.336 0.654 . . . . 63.229999999999997 111.515 173.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 58' ' ' VAL . 73.3 mt -66.0 -29.27 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 123.243 0.617 . . . . 72.120000000000005 110.956 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.94 -32.04 71.36 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.963 0.505 . . . . 73.349999999999994 112.213 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.21 -30.73 70.73 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.233 0.539 . . . . 62.450000000000003 111.386 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.8 mt -80.98 -45.86 15.98 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.761 -0.654 . . . . 54.420000000000002 111.011 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.524 0.678 . . . . 63.240000000000002 110.286 179.365 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 109.979 -0.378 . . . . 73.540000000000006 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.25 -26.05 65.49 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.246 0.618 . . . . 74.140000000000001 111.844 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -54.14 41.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.831 0.852 . . . . 73.299999999999997 110.752 167.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -76.01 -26.62 56.85 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.535 -1.211 . . . . 65.239999999999995 111.969 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -70.5 -39.95 73.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.661 0.784 . . . . 60.149999999999999 109.94 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.81 -37.28 87.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.448 0.699 . . . . 75.540000000000006 111.327 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -62.5 -37.09 84.68 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.102 0.561 . . . . 74.239999999999995 111.869 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 67.5 m -68.26 -33.97 75.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.181 0.592 . . . . 50.549999999999997 111.118 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -72.83 -32.67 65.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.751 0.82 . . . . 62.130000000000003 112.518 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 55' ' ' LEU . 96.9 mt -64.5 -45.39 87.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.933 0.493 . . . . 62.020000000000003 109.849 169.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.402 ' HE ' HG11 ' B' ' 43' ' ' VAL . 15.6 tpt180 -56.08 -25.18 44.3 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.984 0.914 . . . . 74.219999999999999 112.105 176.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.0 mm-40 -76.21 -40.34 52.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.301 0.64 . . . . 63.140000000000001 111.329 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.8 mt -95.89 -7.86 35.59 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 114.077 1.14 . . . . 74.109999999999999 114.077 -170.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.8 t -107.34 101.9 41.18 Favored Pre-proline 0 N--CA 1.491 1.597 0 CA-C-N 118.22 0.464 . . . . 73.540000000000006 111.774 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 61' ' ' TYR . 91.7 Cg_endo -75.05 -7.0 18.73 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.206 2.604 . . . . 53.130000000000003 112.303 168.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.85 -15.43 60.1 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-N 116.099 -0.501 . . . . 73.010000000000005 113.436 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.402 HG11 ' HE ' ' B' ' 37' ' ' ARG . 92.6 t -65.12 120.89 70.99 Favored Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 123.321 0.648 . . . . 73.329999999999998 109.691 170.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.39 94.1 0.36 Allowed 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.56 2.173 . . . . 75.409999999999997 112.824 -172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 56.74 -83.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.454 1.501 . . . . 72.140000000000001 112.004 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.8 -92.12 1.66 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 110.669 -0.973 . . . . 43.210000000000001 110.669 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.4 m 55.19 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.226 1.41 . . . . 71.230000000000004 113.962 169.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.31 109.72 1.67 Allowed 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.609 0.719 . . . . 65.209999999999994 111.483 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.39 176.41 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.792 0.837 . . . . 74.230000000000004 112.161 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.1 t -98.57 169.24 9.65 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.527 0.731 . . . . 55.549999999999997 110.719 172.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.37 -42.3 98.85 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.379 0.672 . . . . 74.200000000000003 111.391 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 29' ' ' MET . 8.1 t -71.07 -37.81 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.081 -0.509 . . . . 75.319999999999993 110.824 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.59 -45.01 77.48 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.066 0.946 . . . . 74.420000000000002 111.728 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.416 ' O ' HG23 ' B' ' 58' ' ' VAL . 76.6 mt -60.56 -49.56 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.543 0.527 . . . . 65.140000000000001 110.801 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.56 -51.97 61.21 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.811 0.671 . . . . 71.310000000000002 112.811 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.41 -34.58 76.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.558 0.743 . . . . 71.140000000000001 112.04 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -73.73 -28.64 61.8 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.396 0.678 . . . . 71.099999999999994 111.845 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.486 HG21 HD13 ' B' ' 36' ' ' LEU . 55.6 t -73.42 -42.01 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.171 0.588 . . . . 64.049999999999997 110.382 174.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 79.3 mt -56.08 -52.6 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 109.721 -0.474 . . . . 64.140000000000001 109.721 171.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.85 -33.59 73.29 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.509 1.124 . . . . 71.430000000000007 112.298 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' B' ' 41' ' ' PRO . 54.3 t80 -62.73 -49.72 73.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.717 0.807 . . . . 71.409999999999997 111.047 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.3 mt -65.17 -38.4 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 122.959 0.503 . . . . 65.239999999999995 110.692 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 89.4 mt -67.93 -29.61 68.71 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.706 0.802 . . . . 64.25 111.39 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.71 -34.81 76.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.395 0.678 . . . . 73.349999999999994 111.087 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 70.1 mt -72.75 -36.2 67.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.498 0.719 . . . . 52.229999999999997 111.091 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.66 HE22 HD22 ' A' ' 39' ' ' LEU . 18.5 mt-30 -89.75 165.84 13.93 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.217 1.007 . . . . 70.230000000000004 112.244 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.89 100.72 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.136 0.574 . . . . 71.430000000000007 110.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.492 1.671 0 C-N-CA 123.528 0.731 . . . . 62.130000000000003 112.765 -177.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.755 1.021 . . . . 72.430000000000007 113.755 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.6 -31.04 41.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.724 0.809 . . . . 74.430000000000007 109.014 162.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.647 ' HG2' HG22 ' B' ' 52' ' ' VAL . 21.6 mtp -54.81 -52.11 63.7 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.539 1.136 . . . . 65.310000000000002 112.47 -176.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -66.55 -31.12 71.63 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.107 0.963 . . . . 73.140000000000001 112.693 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.73 -40.83 69.16 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.737 0.415 . . . . 53.340000000000003 110.987 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 92.8 m -62.03 -41.54 98.2 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.028 0.531 . . . . 72.310000000000002 111.381 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.32 -39.13 92.02 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.957 0.903 . . . . 73.109999999999999 112.038 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.3 m -63.65 -46.36 85.97 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.072 0.549 . . . . 72.120000000000005 110.66 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' B' ' 59' ' ' ILE . 22.9 ttp180 -63.31 -31.66 72.87 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.203 1.001 . . . . 71.219999999999999 111.89 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD13 HG21 ' A' ' 58' ' ' VAL . 98.0 mt -65.83 -55.83 15.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.486 0.714 . . . . 70.329999999999998 110.185 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -53.76 -24.79 16.22 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.662 0.986 . . . . 65.230000000000004 113.662 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.29 -32.41 29.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.758 0.823 . . . . 64.200000000000003 111.239 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -95.58 -12.5 25.58 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.671 0.788 . . . . 74.439999999999998 112.394 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 61' ' ' TYR . 97.9 t -100.58 106.65 44.4 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 123.861 0.865 . . . . 71.019999999999996 111.183 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.45 -3.39 13.83 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.817 2.345 . . . . 62.020000000000003 113.079 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 -21.14 72.43 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 123.131 0.396 . . . . 43.299999999999997 113.691 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.67 110.32 8.71 Favored Pre-proline 0 CA--C 1.566 1.573 0 C-N-CA 123.645 0.778 . . . . 75.340000000000003 110.163 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.4 2.31 1.59 Allowed 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.645 2.897 . . . . 72.230000000000004 116.314 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 69.93 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.321 1.448 . . . . 70.420000000000002 111.645 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.88 -75.32 1.88 Allowed Glycine 0 CA--C 1.535 1.309 0 N-CA-C 110.812 -0.915 . . . . 51.219999999999999 110.812 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t 47.79 -60.77 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 118.632 2.827 . . . . 60.409999999999997 118.632 164.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 87.12 90.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.027 2.131 . . . . 71.0 109.462 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -128.55 127.67 42.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.54 1.136 . . . . 72.340000000000003 109.509 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.9 m -85.95 178.31 7.31 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.233 0.613 . . . . 64.5 111.111 175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -49.24 -45.57 44.84 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 124.245 1.018 . . . . 75.409999999999997 113.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' B' ' 29' ' ' MET . 47.9 t -69.63 -40.85 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.787 0.835 . . . . 74.310000000000002 111.507 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.99 -26.77 62.37 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.52 0.728 . . . . 62.310000000000002 112.672 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.3 mt -63.85 -47.02 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 109.703 -0.48 . . . . 75.549999999999997 109.703 171.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 98.3 mt -54.96 -41.05 70.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.971 0.908 . . . . 71.310000000000002 112.669 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.434 HE21 HG12 ' A' ' 52' ' ' VAL . 73.4 mt-30 -58.98 -41.77 88.39 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.605 0.762 . . . . 72.019999999999996 111.563 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -69.79 -31.54 69.52 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.445 0.698 . . . . 74.109999999999999 112.118 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.635 HG21 HD13 ' A' ' 36' ' ' LEU . 93.2 t -66.45 -37.33 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.173 0.589 . . . . 64.040000000000006 110.744 175.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' B' ' 32' ' ' CYS . 77.7 mt -62.88 -50.0 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 116.067 -0.515 . . . . 61.520000000000003 109.86 170.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -52.82 -41.78 64.52 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.831 0.852 . . . . 62.229999999999997 111.864 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.48 ' HE2' HG12 ' B' ' 62' ' ' ILE . 52.1 t80 -56.26 -51.37 68.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.634 0.774 . . . . 71.519999999999996 111.428 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.703 HG21 ' HB3' ' B' ' 39' ' ' LEU . 32.8 mt -68.94 -32.25 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.946 -0.57 . . . . 70.109999999999999 110.792 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.5 mt -64.2 -37.34 87.12 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.071 0.548 . . . . 73.340000000000003 111.311 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -66.87 -33.23 75.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.379 0.672 . . . . 71.239999999999995 111.71 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.46 -41.87 75.66 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.841 0.456 . . . . 64.019999999999996 111.78 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 14.7 mm100 . . . . . 0 N--CA 1.481 1.084 0 C-N-CA 123.701 0.8 . . . . 61.240000000000002 111.681 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 121.443 0.64 . . . . 74.25 112.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.34 -32.16 64.39 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.603 -0.726 . . . . 74.099999999999994 109.1 173.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.627 ' HB2' HG22 ' A' ' 52' ' ' VAL . 17.0 ttm -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.2 1.0 . . . . 75.450000000000003 111.831 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.92 -32.35 71.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.453 0.301 . . . . 73.420000000000002 111.324 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -60.02 -46.02 90.85 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.461 0.705 . . . . 72.409999999999997 110.589 172.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 59' ' ' ILE . 94.9 m -61.72 -48.68 79.63 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.16 -0.927 . . . . 73.5 111.208 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -60.13 -32.59 71.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.326 1.05 . . . . 52.219999999999999 112.336 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -67.67 -48.27 67.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 74.200000000000003 110.795 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.405 ' HD2' HD13 ' A' ' 59' ' ' ILE . 38.6 mtt180 -58.37 -40.49 82.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.468 0.707 . . . . 74.129999999999995 112.367 173.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 32' ' ' CYS . 82.0 mt -61.53 -48.64 80.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.566 0.346 . . . . 75.129999999999995 110.246 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -59.11 -20.76 56.44 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.264 0.838 . . . . 51.530000000000001 113.264 175.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.39 -38.65 13.17 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.216 0.606 . . . . 64.540000000000006 111.137 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 62' ' ' ILE . 98.6 mt -86.03 -12.18 50.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.741 0.816 . . . . 61.229999999999997 112.177 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.5 t -105.42 102.18 35.87 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 42.25 109.502 174.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -75.73 22.39 0.47 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.252 2.635 . . . . 75.219999999999999 114.094 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . 0.496 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -103.42 5.23 48.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.585 -0.564 . . . . 62.200000000000003 114.305 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.46 120.99 82.23 Favored Pre-proline 0 N--CA 1.487 1.419 0 CA-C-N 117.716 0.758 . . . . 72.519999999999996 109.974 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.46 80.85 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 123.424 2.749 . . . . 65.030000000000001 115.275 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 49.88 25.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 116.276 1.954 . . . . 74.400000000000006 116.276 167.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.46 123.79 3.18 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 122.327 -0.233 . . . . 44.329999999999998 113.494 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -177.65 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 40.140000000000001 111.062 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 50.51 82.58 0.05 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.287 1.035 . . . . 75.530000000000001 110.627 -166.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' B' ' 53' ' ' GLU . 66.8 mt -56.02 157.75 4.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.196 1.399 . . . . 71.150000000000006 114.047 -171.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -66.15 156.73 33.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.311 -0.859 . . . . 50.149999999999999 111.103 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -46.97 -40.02 13.56 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.056 0.942 . . . . 75.239999999999995 112.726 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 29' ' ' MET . 11.2 t -71.29 -51.5 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.26 0.624 . . . . 63.109999999999999 111.124 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' B' ' 49' ' ' LEU . 48.5 mm-40 -56.96 -34.76 68.37 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.28 1.032 . . . . 71.329999999999998 112.741 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 58' ' ' VAL . 86.0 mt -64.37 -49.03 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.362 0.665 . . . . 54.140000000000001 110.626 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 36' ' ' LEU . 87.6 mt -52.61 -46.18 66.91 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.402 0.681 . . . . 72.230000000000004 111.441 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.05 -45.54 84.95 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.961 -1.018 . . . . 62.420000000000002 111.362 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -29.89 70.92 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.382 0.673 . . . . 74.200000000000003 112.657 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 62' ' ' ILE . 72.8 t -64.29 -47.24 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 109.787 -0.449 . . . . 74.219999999999999 109.787 172.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.652 HG21 ' HE ' ' A' ' 35' ' ' ARG . 73.4 mt -62.79 -37.97 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 123.136 0.574 . . . . 71.310000000000002 110.857 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -67.35 -34.91 78.32 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.248 0.619 . . . . 71.150000000000006 111.589 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.616 ' HB2' HG13 ' B' ' 40' ' ' VAL . 52.8 t80 -59.97 -47.78 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.547 1.139 . . . . 73.109999999999999 110.635 173.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.48 HG12 ' HE2' ' A' ' 61' ' ' TYR . 61.4 mt -62.68 -49.98 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 123.71 0.804 . . . . 63.329999999999998 110.723 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -32.04 73.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.859 0.863 . . . . 75.319999999999993 112.164 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.03 -39.41 93.32 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.194 0.598 . . . . 62.350000000000001 110.817 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 83.0 mt -69.62 -44.76 70.03 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.484 0.714 . . . . 73.349999999999994 111.844 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.47 -51.69 33.68 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.977 0.911 . . . . 62.329999999999998 113.158 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.53 128.22 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.513 0.725 . . . . 71.340000000000003 111.904 -173.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 CA--C 1.566 1.592 0 C-N-CA 123.813 0.845 . . . . 36.969999999999999 109.989 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 112.862 0.69 . . . . 73.109999999999999 112.862 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.58 -33.79 76.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.307 0.243 . . . . 74.400000000000006 110.834 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.3 ttm -61.82 -39.39 91.6 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.66 0.784 . . . . 75.430000000000007 111.792 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -63.58 -50.39 69.65 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.598 0.759 . . . . 64.0 110.814 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.06 -35.13 79.7 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.794 0.838 . . . . 73.439999999999998 112.074 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 m -66.47 -53.88 30.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.706 0.802 . . . . 63.240000000000002 111.317 175.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.72 -35.93 75.53 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.21 0.604 . . . . 73.430000000000007 112.512 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -63.35 -49.39 74.07 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.965 0.506 . . . . 64.329999999999998 111.011 175.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.81 -38.22 87.33 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.474 1.11 . . . . 53.219999999999999 112.016 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 58' ' ' VAL . 94.5 mt -62.14 -51.03 69.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.344 0.658 . . . . 71.299999999999997 110.727 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -56.71 -22.86 38.25 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.215 0.821 . . . . 72.239999999999995 113.215 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -87.91 -32.57 18.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.562 0.745 . . . . 62.109999999999999 111.275 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.7 -25.49 24.74 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.699 0.8 . . . . 73.299999999999997 112.13 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 57' ' ' ARG . 87.9 t -92.62 119.43 67.96 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.646 0.778 . . . . 64.109999999999999 111.725 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.14 173.6 13.68 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.092 2.528 . . . . 75.340000000000003 112.4 169.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.1 87.99 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 114.134 0.413 . . . . 74.400000000000006 114.134 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -90.56 110.76 43.47 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.739 0.815 . . . . 70.140000000000001 109.438 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.21 135.72 35.23 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.353 2.035 . . . . 72.230000000000004 112.229 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -65.76 -31.29 72.18 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.436 0.694 . . . . 52.039999999999999 112.085 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.82 24.9 15.43 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-O 120.052 -0.305 . . . . 61.32 113.501 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.1 m -140.04 103.88 4.72 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.556 0.742 . . . . 74.25 110.593 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.64 95.58 5.95 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.801 -0.444 . . . . 63.340000000000003 109.801 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 53' ' ' GLU . 83.5 mt -63.74 129.28 39.45 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.888 -0.597 . . . . 73.319999999999993 110.596 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.8 m -80.3 -77.72 0.19 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.215 0.606 . . . . 54.049999999999997 112.545 -169.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.89 -73.68 0.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.375 0.67 . . . . 64.109999999999999 111.108 -174.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG12 HE21 ' A' ' 56' ' ' GLN . 3.4 t -71.75 -32.61 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 115.856 -0.611 . . . . 60.240000000000002 110.86 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 46.5 mt-10 -53.71 -43.82 69.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.951 0.901 . . . . 75.200000000000003 111.736 172.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.6 mt -63.28 -50.05 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 122.968 0.507 . . . . 75.409999999999997 110.277 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 59' ' ' ILE . 96.1 mt -52.33 -49.41 64.32 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.744 0.817 . . . . 72.129999999999995 112.426 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.436 HE21 HG12 ' A' ' 52' ' ' VAL . 78.3 mt-30 -59.98 -44.19 94.63 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.087 0.955 . . . . 54.25 111.676 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 1.2 mmp_? -62.36 -37.68 86.62 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.575 0.75 . . . . 73.310000000000002 112.08 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 36' ' ' LEU . 83.2 t -65.16 -42.6 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 122.528 0.331 . . . . 73.120000000000005 110.305 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 60.6 mt -60.95 -44.86 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.071 0.548 . . . . 73.25 110.65 175.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.24 -45.54 83.83 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.697 0.799 . . . . 72.230000000000004 111.403 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -58.14 -42.94 86.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.987 0.915 . . . . 72.430000000000007 111.603 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 58' ' ' VAL . 63.5 mt -70.69 -25.88 27.27 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 C-N-CA 122.81 0.444 . . . . 61.240000000000002 110.989 177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 90.6 mt -68.4 -29.77 68.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.889 0.475 . . . . 73.329999999999998 111.41 171.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.68 -33.97 73.29 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.981 0.512 . . . . 73.510000000000005 111.373 169.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.9 mt -71.74 -39.65 69.92 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.176 0.591 . . . . 75.120000000000005 111.289 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.489 1.476 0 C-N-CA 124.289 1.036 . . . . 73.510000000000005 111.458 -179.343 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.773 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 111.501 0.185 . . . . 73.129999999999995 111.501 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.77 -52.86 21.55 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.125 0.417 . . . . 65.239999999999995 112.125 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 33.5 ttm -58.83 -45.88 89.0 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.461 0.704 . . . . 61.149999999999999 111.75 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.773 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 46.6 t30 -63.7 -36.6 84.38 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.773 0.829 . . . . 65.230000000000004 111.545 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -70.35 -43.46 70.15 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.103 0.561 . . . . 75.299999999999997 110.709 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.82 -37.97 89.41 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.638 0.775 . . . . 63.0 112.122 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.3 -40.46 90.03 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.623 0.769 . . . . 64.019999999999996 111.767 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 35.5 t -67.5 -37.82 83.39 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.245 0.618 . . . . 65.510000000000005 111.126 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -68.4 -29.49 68.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.944 1.298 . . . . 62.5 111.256 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 40' ' ' VAL . 96.3 mt -60.32 -54.99 39.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.021 0.529 . . . . 72.109999999999999 109.953 165.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.662 HH12 ' HD2' ' B' ' 57' ' ' ARG . 24.0 mmt180 -63.2 -16.73 61.08 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.027 1.121 . . . . 73.120000000000005 114.027 -176.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 34' ' ' SER . 40.6 mm-40 -69.82 -44.21 70.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.233 0.54 . . . . 70.450000000000003 110.272 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.35 -19.63 26.4 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.083 -0.962 . . . . 71.439999999999998 112.05 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.458 HG21 HG22 ' B' ' 58' ' ' VAL . 61.3 t -89.19 112.12 49.28 Favored Pre-proline 0 N--CA 1.488 1.438 0 C-N-CA 123.311 0.645 . . . . 74.409999999999997 110.306 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.5 -11.07 30.35 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.629 2.219 . . . . 72.420000000000002 113.6 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.75 71.04 2.62 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 123.028 0.347 . . . . 70.120000000000005 113.45 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' B' ' 37' ' ' ARG . 21.6 t -139.96 111.48 7.35 Favored Pre-proline 0 N--CA 1.489 1.483 0 C-N-CA 123.461 0.704 . . . . 72.040000000000006 109.567 174.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.49 137.95 23.69 Favored 'Trans proline' 0 CA--C 1.558 1.702 0 C-N-CA 122.412 2.075 . . . . 61.530000000000001 112.032 174.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -68.17 138.3 55.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.732 0.413 . . . . 72.239999999999995 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.72 -28.61 3.93 Favored Glycine 0 CA--C 1.541 1.679 0 CA-C-N 116.609 -0.269 . . . . 61.210000000000001 113.638 -175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.6 m -79.51 109.26 13.72 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.185 0.994 . . . . 75.439999999999998 110.227 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -74.37 -33.78 63.18 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.49 0.716 . . . . 63.329999999999998 112.548 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt 64.37 -176.62 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.335 1.054 . . . . 71.140000000000001 112.741 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . 0.41 ' O ' HG13 ' B' ' 54' ' ' ILE . 74.4 m -142.98 170.84 14.94 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.426 0.528 . . . . 70.540000000000006 112.426 -176.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.54 -53.89 33.12 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.251 1.421 . . . . 75.319999999999993 113.966 -170.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.458 HG12 HE21 ' B' ' 56' ' ' GLN . 18.0 t -71.28 -35.9 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.799 0.44 . . . . 73.140000000000001 111.205 -176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -36.08 72.17 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.763 0.825 . . . . 72.209999999999994 110.391 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.631 HG12 ' HE ' ' B' ' 37' ' ' ARG . 18.7 mt -63.58 -51.79 65.8 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 116.293 -0.412 . . . . 74.420000000000002 110.566 175.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 59' ' ' ILE . 98.2 mt -54.26 -46.71 72.71 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.227 0.611 . . . . 62.340000000000003 112.308 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.458 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -54.09 -55.96 22.61 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.46 1.104 . . . . 72.319999999999993 112.239 175.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.662 ' HD2' HH12 ' B' ' 37' ' ' ARG . 14.4 ttm-85 -72.72 -24.5 60.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.277 -0.874 . . . . 73.430000000000007 111.943 -172.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.458 HG22 HG21 ' B' ' 40' ' ' VAL . 67.4 t -71.85 -41.13 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.936 0.494 . . . . 62.340000000000003 110.567 171.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 68.7 mt -60.28 -50.4 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 118.063 0.392 . . . . 73.219999999999999 110.55 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -54.14 -45.8 72.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.478 0.711 . . . . 64.340000000000003 111.63 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 53.1 t80 -54.57 -49.25 70.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.824 1.25 . . . . 62.210000000000001 111.421 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.71 -38.59 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 124.281 1.032 . . . . 75.109999999999999 111.757 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 97.0 mt -65.38 -37.08 85.92 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.231 0.612 . . . . 73.200000000000003 112.428 -177.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -61.0 -46.34 91.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.878 0.471 . . . . 51.240000000000002 110.872 173.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 66.3 mt -69.89 -39.16 76.43 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.781 0.833 . . . . 54.43 112.13 -176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -70.25 -30.06 67.02 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.277 1.031 . . . . 74.219999999999999 111.687 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t 61.62 86.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 124.781 1.232 . . . . 70.219999999999999 110.964 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 CA--C 1.563 1.445 0 C-N-CA 123.759 0.824 . . . . 62.109999999999999 111.205 -175.248 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 109.901 -0.407 . . . . 73.430000000000007 109.901 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.41 -44.75 80.62 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.87 0.868 . . . . 71.019999999999996 111.922 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.626 ' HB2' HG22 ' B' ' 52' ' ' VAL . 17.6 ttm -62.97 -41.02 99.42 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.926 0.89 . . . . 73.530000000000001 112.439 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.39 -40.95 96.25 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.417 0.627 . . . . 63.32 111.167 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.59 -37.04 84.07 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 123.893 0.877 . . . . 74.430000000000007 110.903 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.6 m -66.0 -40.94 91.55 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.627 0.771 . . . . 62.409999999999997 111.755 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.74 -36.65 84.19 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.749 0.82 . . . . 74.099999999999994 112.042 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 t -59.78 -49.74 76.53 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.854 -0.612 . . . . 72.140000000000001 110.699 171.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HE ' HD13 ' B' ' 59' ' ' ILE . 62.5 mtp85 -60.78 -36.47 79.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.032 0.933 . . . . 73.239999999999995 113.373 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD22 ' B' ' 55' ' ' LEU . 82.0 mt -58.99 -54.17 50.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.536 0.334 . . . . 74.230000000000004 110.481 172.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -62.78 -20.31 64.87 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.612 0.765 . . . . 73.230000000000004 112.268 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.5 mm-40 -78.79 -35.44 44.37 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.971 0.509 . . . . 74.450000000000003 111.016 175.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.2 mt -88.12 -12.94 42.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.783 0.833 . . . . 70.430000000000007 112.694 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 61' ' ' TYR . 49.8 t -102.89 101.3 20.2 Favored Pre-proline 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 63.109999999999999 110.376 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.38 -12.49 14.05 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 122.664 2.243 . . . . 63.539999999999999 112.928 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.62 54.22 4.79 Favored Glycine 0 N--CA 1.481 1.637 0 C-N-CA 123.32 0.486 . . . . 12.24 113.254 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.12 120.72 29.05 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.882 0.873 . . . . 72.099999999999994 110.281 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.88 119.58 6.82 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.622 2.215 . . . . 71.349999999999994 111.763 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -63.63 -34.63 78.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.634 0.774 . . . . 53.43 111.821 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.17 10.4 34.9 Favored Glycine 0 CA--C 1.544 1.875 0 N-CA-C 114.607 0.603 . . . . 75.540000000000006 114.607 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.7 m -103.58 -57.11 2.09 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 117.778 0.789 . . . . 73.420000000000002 111.535 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 62.91 106.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.285 1.034 . . . . 70.109999999999999 111.07 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -83.17 138.1 33.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.274 -0.875 . . . . 74.219999999999999 112.585 -172.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -98.01 -177.56 3.79 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.153 -0.684 . . . . 32.049999999999997 109.153 163.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -46.95 -51.94 15.78 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.037 1.495 . . . . 73.420000000000002 115.037 -166.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' B' ' 29' ' ' MET . 36.5 t -71.18 -40.89 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 122.852 0.461 . . . . 71.219999999999999 111.531 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.14 -28.01 68.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.33 0.652 . . . . 73.450000000000003 111.776 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 58' ' ' VAL . 73.4 mt -62.11 -52.42 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 122.608 0.363 . . . . 71.109999999999999 110.161 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD22 HD11 ' B' ' 36' ' ' LEU . 95.8 mt -52.64 -45.42 66.66 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.631 0.773 . . . . 44.140000000000001 112.19 178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.455 HE21 HG12 ' A' ' 52' ' ' VAL . 78.9 mt-30 -58.25 -51.97 67.56 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.183 -0.917 . . . . 72.409999999999997 111.578 177.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -66.93 -24.63 66.11 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.569 0.748 . . . . 62.219999999999999 112.652 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.7 t -68.28 -46.32 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.625 0.37 . . . . 62.200000000000003 110.044 172.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt -60.34 -44.35 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 122.884 0.474 . . . . 63.43 110.32 176.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -59.76 -42.15 92.6 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.016 0.926 . . . . 75.329999999999998 112.006 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.582 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.1 t80 -57.98 -46.91 84.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.623 0.769 . . . . 74.109999999999999 111.45 174.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 71.2 mt -65.74 -35.51 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 CA-C-N 115.766 -0.652 . . . . 72.099999999999994 110.4 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 91.4 mt -59.46 -41.43 89.68 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.216 0.606 . . . . 62.149999999999999 111.739 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.59 -34.59 67.32 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.61 0.764 . . . . 74.340000000000003 111.851 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 mt -83.81 -33.1 25.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.579 0.751 . . . . 72.109999999999999 112.405 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 77.4 mm-40 . . . . . 0 N--CA 1.487 1.412 0 C-N-CA 123.305 0.642 . . . . 73.109999999999999 111.822 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.948 0.404 . . . . 74.299999999999997 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -50.41 -38.24 41.97 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 114.898 -1.046 . . . . 61.119999999999997 110.667 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.496 ' HB2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -53.78 -50.85 65.17 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.528 1.131 . . . . 62.0 112.451 170.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.26 -41.33 90.07 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.439 0.696 . . . . 73.329999999999998 111.167 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -67.09 -40.8 87.02 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.321 0.648 . . . . 45.340000000000003 110.978 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.72 -39.67 94.04 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.827 0.851 . . . . 61.109999999999999 111.781 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.57 -43.58 89.44 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.931 0.892 . . . . 74.420000000000002 112.034 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 39.5 m -58.87 -44.11 90.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.23 -0.896 . . . . 62.439999999999998 110.801 176.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -34.07 73.3 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.498 0.719 . . . . 63.119999999999997 111.694 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 55' ' ' LEU . 81.4 mt -57.21 -52.18 66.36 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 110.217 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -53.21 -30.89 40.31 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.589 1.156 . . . . 72.510000000000005 112.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.7 mm-40 -78.25 -38.98 41.61 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.005 0.522 . . . . 72.230000000000004 110.87 -177.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.02 -17.85 56.59 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.501 0.72 . . . . 64.209999999999994 111.943 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.474 HG13 ' HB2' ' B' ' 61' ' ' TYR . 54.3 t -97.88 107.68 41.78 Favored Pre-proline 0 N--CA 1.488 1.47 0 C-N-CA 123.471 0.708 . . . . 71.319999999999993 111.473 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.92 -14.42 26.5 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.688 2.259 . . . . 64.200000000000003 112.665 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.05 -22.16 70.36 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 114.483 0.553 . . . . 52.310000000000002 114.483 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.93 123.0 85.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.167 0.587 . . . . 73.430000000000007 110.69 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.31 97.1 0.24 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.634 2.222 . . . . 62.439999999999998 111.963 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 58.42 -161.8 0.24 Allowed 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 124.362 1.065 . . . . 75.439999999999998 111.894 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.49 48.08 3.96 Favored Glycine 0 CA--C 1.542 1.747 0 O-C-N 121.775 -0.578 . . . . 73.109999999999999 113.298 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 86.0 m -79.85 137.38 36.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.458 0.703 . . . . 54.439999999999998 111.052 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -79.23 82.33 5.4 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.565 0.746 . . . . 72.109999999999999 109.784 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.96 163.09 28.22 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.628 -0.715 . . . . 42.140000000000001 110.677 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -62.14 141.13 58.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 109.495 -0.557 . . . . 45.509999999999998 109.495 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.96 -32.68 21.74 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.507 0.723 . . . . 72.430000000000007 112.542 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' MET . 14.0 t -71.06 -44.55 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.604 0.762 . . . . 70.329999999999998 111.226 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.22 -30.29 71.17 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.345 0.658 . . . . 73.030000000000001 111.392 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 58' ' ' VAL . 75.0 mt -64.93 -49.07 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.497 0.719 . . . . 65.230000000000004 109.924 172.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 36' ' ' LEU . 96.5 mt -53.57 -49.64 67.29 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.214 0.606 . . . . 61.5 111.663 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' B' ' 59' ' ' ILE . 79.9 mt-30 -64.35 -32.57 74.24 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.476 1.11 . . . . 75.010000000000005 112.29 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -74.15 -29.31 61.73 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 75.420000000000002 110.95 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 54' ' ' ILE . 91.7 t -72.09 -41.12 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.284 0.634 . . . . 63.100000000000001 110.169 172.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 56' ' ' GLN . 87.2 mt -58.98 -44.65 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.424 0.69 . . . . 73.439999999999998 110.21 173.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.39 -48.55 78.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.32 1.048 . . . . 73.420000000000002 111.315 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.474 ' HB2' HG13 ' B' ' 40' ' ' VAL . 55.6 t80 -56.59 -48.46 77.36 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.776 1.23 . . . . 71.510000000000005 111.846 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 73.7 mt -71.18 -37.82 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.358 0 C-N-CA 123.12 0.568 . . . . 74.25 111.455 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.19 -33.2 75.26 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.371 0.668 . . . . 61.020000000000003 111.681 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.49 -30.82 67.71 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.722 0.809 . . . . 60.210000000000001 111.173 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 89.6 mt -79.64 -43.96 21.85 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.433 0.693 . . . . 62.020000000000003 111.657 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.84 -166.42 1.48 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.287 1.035 . . . . 73.420000000000002 110.964 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.48 127.84 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.653 -0.499 . . . . 64.0 109.653 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.571 1.784 0 N-CA-C 113.319 0.859 . . . . 52.030000000000001 113.319 -177.031 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 113.017 0.747 . . . . 74.329999999999998 113.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.65 -39.88 71.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.937 0.895 . . . . 61.340000000000003 111.916 -172.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.1 ttm -58.68 -45.16 90.02 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.953 0.901 . . . . 75.450000000000003 112.003 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -64.81 -44.19 90.72 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.41 0.684 . . . . 75.019999999999996 111.322 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.98 -40.83 97.28 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.224 0.61 . . . . 72.400000000000006 111.232 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 80.0 m -62.56 -42.38 99.5 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.683 0.793 . . . . 70.230000000000004 111.931 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -69.02 -35.98 77.26 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.527 0.731 . . . . 72.239999999999995 112.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -64.26 -42.31 96.54 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.42 0.628 . . . . 64.040000000000006 110.376 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -31.74 69.51 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.074 1.349 . . . . 74.239999999999995 111.266 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 78.4 mt -62.51 -49.07 76.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.135 0.574 . . . . 34.219999999999999 109.728 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.91 -17.86 58.21 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 112.92 0.711 . . . . 75.319999999999993 112.92 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -84.4 -39.86 18.51 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.021 0.439 . . . . 73.340000000000003 110.205 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' B' ' 62' ' ' ILE . 93.1 mt -80.25 -23.49 40.79 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.419 0.688 . . . . 73.140000000000001 112.721 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.5 t -94.17 109.94 45.29 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.626 0.77 . . . . 64.049999999999997 111.271 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.56 75.66 4.93 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.805 2.337 . . . . 45.229999999999997 111.79 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.22 13.3 0.04 OUTLIER Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.449 -0.796 . . . . 51.210000000000001 114.353 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 HD12 ' A' ' 49' ' ' LEU . 61.6 t -96.02 114.85 64.99 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.583 0.753 . . . . 72.219999999999999 109.585 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 51.1 Cg_exo -54.62 152.78 26.13 Favored 'Trans proline' 0 CA--C 1.566 2.091 0 C-N-CA 122.97 2.447 . . . . 70.530000000000001 114.846 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.28 105.44 4.68 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.296 0.638 . . . . 74.040000000000006 111.916 -175.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.58 39.47 29.83 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.147 -0.478 . . . . 62.039999999999999 113.059 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 7.3 t -84.85 -32.12 23.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.166 0.586 . . . . 72.099999999999994 112.133 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 58.0 47.73 14.39 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.123 0.969 . . . . 72.120000000000005 111.834 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 HG13 ' A' ' 43' ' ' VAL . 78.4 mt -56.63 122.23 11.57 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.435 0.294 . . . . 65.239999999999995 110.736 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -74.89 177.44 6.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.898 0.38 . . . . 55.420000000000002 111.196 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -49.27 -44.65 44.04 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.307 1.443 . . . . 73.140000000000001 114.15 -166.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.4 t -72.63 -43.96 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 122.852 0.461 . . . . 74.310000000000002 111.771 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.35 -29.79 70.71 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.324 0.649 . . . . 73.319999999999993 112.42 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.0 mt -63.92 -47.4 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 122.918 0.487 . . . . 75.519999999999996 110.61 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 36' ' ' LEU . 99.4 mt -56.15 -39.47 72.35 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.197 0.599 . . . . 75.409999999999997 111.978 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.87 -43.14 99.45 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 123.57 0.748 . . . . 74.310000000000002 111.19 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -67.71 -33.43 74.89 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.716 0.806 . . . . 72.140000000000001 111.994 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' B' ' 58' ' ' VAL . 91.0 t -65.4 -40.99 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 122.631 0.372 . . . . 74.030000000000001 110.502 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.46 -50.66 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 122.927 0.491 . . . . 62.409999999999997 110.206 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -50.41 -50.82 50.71 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.676 0.79 . . . . 72.239999999999995 111.714 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.484 ' HB2' HG13 ' A' ' 40' ' ' VAL . 48.6 t80 -57.49 -55.63 32.34 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.993 0.917 . . . . 72.040000000000006 112.33 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.585 HG22 HE21 ' A' ' 66' ' ' GLN . 42.5 mt -68.66 -26.44 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 C-N-CA 122.855 0.462 . . . . 73.219999999999999 111.902 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.66 -49.76 76.48 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.007 0.523 . . . . 72.049999999999997 112.143 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.55 -31.22 71.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.383 0.673 . . . . 75.219999999999999 112.803 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.11 -40.2 71.61 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.383 0.611 . . . . 65.140000000000001 111.152 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.585 HE21 HG22 ' A' ' 62' ' ' ILE . 43.5 mt-30 . . . . . 0 N--CA 1.478 0.968 0 CA-C-N 115.257 -0.883 . . . . 72.450000000000003 110.567 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.546 0.815 0 CA-C-O 121.135 0.493 . . . . 74.310000000000002 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.53 -35.05 39.08 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.281 1.032 . . . . 65.129999999999995 111.438 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.61 ' HG2' HG22 ' A' ' 52' ' ' VAL . 5.1 mtp -60.77 -48.52 81.43 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.284 -0.871 . . . . 74.219999999999999 111.811 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.72 -31.8 72.69 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.429 0.692 . . . . 72.109999999999999 111.557 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -67.77 -39.24 84.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.654 0.381 . . . . 73.099999999999994 111.356 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.08 -44.97 75.08 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.226 0.61 . . . . 71.400000000000006 111.234 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -59.41 -37.87 79.13 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.553 1.141 . . . . 73.439999999999998 111.805 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.42 -43.95 95.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.476 0.71 . . . . 42.140000000000001 110.955 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -69.82 -30.61 68.17 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.054 0.542 . . . . 63.25 111.731 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 55' ' ' LEU . 90.7 mt -62.37 -44.14 97.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.165 -0.309 . . . . 53.219999999999999 110.165 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.476 HH12 ' HB2' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -68.91 -7.59 36.31 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 112.901 0.704 . . . . 62.240000000000002 112.901 177.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -93.47 -39.13 11.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.465 0.706 . . . . 71.430000000000007 110.134 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.67 -11.18 54.44 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.362 -0.836 . . . . 70.430000000000007 112.799 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.49 94.9 24.46 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 123.333 0.653 . . . . 61.229999999999997 111.112 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.23 -5.11 16.6 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.677 2.251 . . . . 74.439999999999998 113.019 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.37 56.39 4.41 Favored Glycine 0 C--N 1.359 1.827 0 CA-C-O 121.395 0.441 . . . . 74.510000000000005 112.866 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 49' ' ' LEU . 74.4 t -131.73 126.07 20.74 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 124.973 1.309 . . . . 72.319999999999993 109.156 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.37 135.57 68.75 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.581 2.187 . . . . 73.239999999999995 112.277 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -69.14 146.83 52.16 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.142 0.577 . . . . 65.400000000000006 111.743 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.11 42.17 98.17 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-N 116.35 -0.386 . . . . 71.040000000000006 113.333 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -135.19 116.46 14.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.32 0.648 . . . . 72.450000000000003 111.128 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -85.06 114.38 22.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.594 0.757 . . . . 53.25 110.147 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 43' ' ' VAL . 84.6 mt -96.18 122.5 39.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.967 0.507 . . . . 75.430000000000007 111.784 -176.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.4 m -78.63 174.91 10.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.702 0.801 . . . . 70.030000000000001 110.614 173.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -49.46 -51.4 36.0 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.91 1.448 . . . . 71.420000000000002 114.91 -172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.73 -40.65 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 122.586 0.354 . . . . 72.030000000000001 110.527 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.41 -37.57 67.8 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.938 0.895 . . . . 71.209999999999994 111.813 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.15 -51.32 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.481 0.712 . . . . 63.509999999999998 111.065 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.93 -44.15 78.05 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.028 0.931 . . . . 64.140000000000001 111.967 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -62.82 -41.96 99.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.943 0.897 . . . . 72.549999999999997 111.64 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.476 ' HB2' HH12 ' B' ' 37' ' ' ARG . 1.7 mmp_? -71.91 -29.76 64.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.782 0.833 . . . . 72.120000000000005 112.184 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' A' ' 58' ' ' VAL . 55.6 t -68.28 -52.93 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.713 0.405 . . . . 52.420000000000002 110.222 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.34 -47.93 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.612 0.765 . . . . 64.430000000000007 111.131 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -57.44 -42.99 83.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.606 0.763 . . . . 72.049999999999997 111.916 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.45 -46.31 89.11 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.988 0.915 . . . . 74.219999999999999 112.105 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 39' ' ' LEU . 82.3 mt -64.72 -40.01 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 122.925 0.49 . . . . 73.420000000000002 110.918 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.94 -31.82 72.66 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.439 0.696 . . . . 64.400000000000006 111.436 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.05 -32.84 74.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.427 0.691 . . . . 74.519999999999996 111.158 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -83.76 -41.39 17.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.057 0.543 . . . . 55.039999999999999 112.325 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -79.06 -58.57 3.17 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.246 0.619 . . . . 62.030000000000001 111.327 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.43 85.75 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 122.119 0.962 . . . . 75.129999999999995 110.377 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.567 1.598 0 CA-C-N 114.596 -1.183 . . . . 55.149999999999999 110.195 176.79 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 109.587 -0.523 . . . . 65.140000000000001 109.587 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.6 -40.14 62.37 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.342 1.057 . . . . 72.120000000000005 111.875 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' HG22 ' B' ' 52' ' ' VAL . 21.7 ttm -59.38 -47.16 86.48 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.645 0.778 . . . . 74.310000000000002 112.18 173.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.03 -43.07 96.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.454 0.702 . . . . 63.119999999999997 110.966 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.72 -37.45 79.48 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.76 0.824 . . . . 72.430000000000007 111.595 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.1 m -64.9 -40.1 94.55 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.387 0.675 . . . . 64.319999999999993 111.363 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -62.62 -41.43 99.0 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.726 0.81 . . . . 73.519999999999996 112.135 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -58.8 -48.06 82.58 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.349 0.66 . . . . 64.409999999999997 110.929 173.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -66.47 -34.84 78.83 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.075 0.95 . . . . 70.219999999999999 112.433 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . 52.9 mt -59.75 -55.02 39.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.168 0.587 . . . . 53.219999999999999 110.345 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -34.98 68.01 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.331 1.052 . . . . 73.420000000000002 110.423 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.11 -39.25 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.63 0.772 . . . . 75.439999999999998 111.565 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.03 -13.87 61.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.799 0.84 . . . . 71.200000000000003 112.174 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 57' ' ' ARG . 57.0 t -101.88 109.48 59.79 Favored Pre-proline 0 CA--C 1.564 1.487 0 C-N-CA 123.708 0.803 . . . . 75.120000000000005 111.779 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.32 -16.63 15.27 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 123.171 2.581 . . . . 73.439999999999998 112.965 170.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 55.07 5.0 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 123.373 0.511 . . . . 70.430000000000007 113.585 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.44 132.34 24.28 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.898 1.279 . . . . 63.299999999999997 108.978 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.2 122.51 11.68 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.607 2.205 . . . . 41.509999999999998 112.02 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -58.87 124.3 19.36 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.678 0.791 . . . . 74.540000000000006 111.12 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.62 -2.48 73.51 Favored Glycine 0 N--CA 1.477 1.384 0 N-CA-C 114.329 0.492 . . . . 64.109999999999999 114.329 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.1 m -95.86 126.15 40.91 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.452 0.701 . . . . 53.340000000000003 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -71.42 -31.12 66.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.654 0.782 . . . . 74.109999999999999 111.993 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt 67.01 -171.92 0.19 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.762 1.225 . . . . 72.400000000000006 112.312 -176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.648 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 61.9 m -132.52 175.47 9.27 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.831 1.252 . . . . 74.319999999999993 110.501 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -57.79 -47.36 82.79 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.644 0.778 . . . . 73.409999999999997 111.957 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.1 t -71.94 -39.38 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 115.57 -0.741 . . . . 74.349999999999994 111.009 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.648 ' HB2' ' H ' ' A' ' 50' ' ' SER . 42.3 mm-40 -53.13 -48.66 67.72 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.778 0.831 . . . . 73.0 112.084 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -58.11 -45.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 73.510000000000005 111.486 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 HD11 ' B' ' 36' ' ' LEU . 94.4 mt -51.28 -49.05 62.01 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.798 0.439 . . . . 72.420000000000002 111.687 172.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.28 -45.64 93.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.583 0.753 . . . . 72.030000000000001 111.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.671 ' HB3' HG11 ' A' ' 40' ' ' VAL . 30.2 mmt180 -59.64 -36.91 77.31 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.975 0.91 . . . . 74.510000000000005 111.334 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' B' ' 58' ' ' VAL . 94.1 t -69.48 -42.67 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.564 0.746 . . . . 74.519999999999996 111.479 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.556 HD13 ' HE ' ' B' ' 35' ' ' ARG . 88.2 mt -58.16 -50.75 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 122.92 0.488 . . . . 64.549999999999997 110.262 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -62.16 -36.02 80.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.774 0.83 . . . . 74.439999999999998 112.49 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.582 0.753 . . . . 72.5 111.4 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.58 HG21 ' HB3' ' B' ' 39' ' ' LEU . 55.0 mt -73.34 -35.88 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.096 -0.502 . . . . 73.310000000000002 110.841 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -58.81 -33.88 70.87 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.275 0.63 . . . . 74.040000000000006 111.67 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -37.64 88.23 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 123.677 0.791 . . . . 73.310000000000002 111.025 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 mt -79.24 -32.92 43.95 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.749 0.819 . . . . 72.230000000000004 112.159 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 123.855 0.862 . . . . 73.040000000000006 111.291 -177.526 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 121.156 0.503 . . . . 70.239999999999995 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.97 -34.38 69.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.169 0.988 . . . . 62.420000000000002 112.003 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.644 ' HG2' HG22 ' A' ' 52' ' ' VAL . 48.3 mtp -68.71 -39.85 80.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.788 0.435 . . . . 73.540000000000006 111.243 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.16 -28.65 64.42 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.222 0.609 . . . . 74.340000000000003 110.641 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -61.59 -44.57 96.77 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.434 0.694 . . . . 74.430000000000007 110.374 170.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.48 -38.26 84.12 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.396 0.679 . . . . 73.120000000000005 112.102 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.62 -35.23 80.33 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.918 0.887 . . . . 61.530000000000001 112.096 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -63.26 -46.24 87.79 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.108 0.563 . . . . 62.329999999999998 110.744 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.556 ' HE ' HD13 ' A' ' 59' ' ' ILE . 13.6 mtp180 -61.88 -34.37 75.89 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.871 0.869 . . . . 72.239999999999995 112.772 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 55' ' ' LEU . 88.6 mt -60.34 -54.26 47.75 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.733 0.413 . . . . 71.349999999999994 110.38 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -66.35 -12.16 55.23 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.6 0.963 . . . . 75.340000000000003 113.6 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.91 -29.38 20.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 120.924 0.393 . . . . 75.439999999999998 111.048 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.1 mt -96.33 -5.45 39.98 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.243 1.017 . . . . 54.130000000000003 112.779 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 61' ' ' TYR . 62.1 t -111.34 97.69 36.83 Favored Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 123.063 0.545 . . . . 63.350000000000001 110.959 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -82.63 -5.59 11.63 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.146 2.564 . . . . 53.210000000000001 113.115 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.37 50.08 4.34 Favored Glycine 0 C--N 1.359 1.849 0 C-N-CA 123.08 0.371 . . . . 43.5 112.782 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 HG12 ' B' ' 40' ' ' VAL . 95.0 t -129.68 135.43 27.51 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.727 1.211 . . . . 74.450000000000003 109.412 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.01 124.78 16.43 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.454 2.103 . . . . 71.420000000000002 111.098 170.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 6.3 mpt_? -75.34 130.41 38.99 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.26 0.624 . . . . 72.209999999999994 111.073 -171.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.02 21.94 54.0 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 116.023 -0.535 . . . . 73.319999999999993 113.89 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -93.94 177.13 6.08 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.194 0.598 . . . . 72.540000000000006 111.041 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -117.78 101.0 7.96 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.484 0.713 . . . . 71.530000000000001 110.216 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.07 113.29 25.23 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.975 0.51 . . . . 55.130000000000003 111.556 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 165.65 21.7 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 115.803 -0.635 . . . . 54.219999999999999 110.272 165.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -55.98 -34.44 65.74 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.668 0.787 . . . . 70.109999999999999 113.017 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.519 HG12 HE21 ' B' ' 56' ' ' GLN . 48.3 t -71.88 -44.58 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.071 0.548 . . . . 75.319999999999993 110.633 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.6 mm-40 -59.42 -37.39 77.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.859 0.864 . . . . 71.439999999999998 112.172 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.1 mt -57.8 -52.12 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.664 0.786 . . . . 73.450000000000003 110.718 176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.434 HD22 HD11 ' A' ' 36' ' ' LEU . 91.7 mt -53.02 -42.68 65.9 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.738 0.815 . . . . 63.420000000000002 111.775 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.519 HE21 HG12 ' B' ' 52' ' ' VAL . 77.4 mt-30 -62.09 -47.95 82.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.814 0.846 . . . . 74.329999999999998 112.131 177.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 53' ' ' GLU . 19.2 mmt-85 -69.7 -24.7 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.955 0.502 . . . . 74.510000000000005 111.875 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -68.17 -44.84 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 122.834 0.454 . . . . 53.130000000000003 110.448 170.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.32 -46.57 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.966 0.506 . . . . 62.210000000000001 110.76 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -56.52 -42.97 79.31 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.899 0.879 . . . . 74.310000000000002 111.567 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.566 ' HB2' HG13 ' B' ' 40' ' ' VAL . 59.3 t80 -58.3 -55.31 36.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.3 1.04 . . . . 73.439999999999998 111.72 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 82.4 mt -62.72 -48.77 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.346 0.658 . . . . 63.530000000000001 111.365 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.59 -35.05 75.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.386 0.674 . . . . 72.329999999999998 111.989 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.85 -30.66 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.593 0.757 . . . . 73.030000000000001 111.622 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.64 -36.67 28.59 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.33 0.652 . . . . 73.310000000000002 111.719 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 85.4 mm-40 -70.92 -67.39 0.51 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 64.230000000000004 111.808 -175.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.18 153.34 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.885 0.874 . . . . 71.340000000000003 111.754 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.565 1.529 0 C-N-CA 123.592 0.757 . . . . 73.230000000000004 112.354 178.197 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 121.195 0.522 . . . . 71.420000000000002 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.24 -44.04 89.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.701 0.801 . . . . 63.420000000000002 109.795 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 ttm -53.15 -45.52 68.46 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.343 1.057 . . . . 42.149999999999999 112.577 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -45.3 85.44 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.398 0.679 . . . . 62.100000000000001 110.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.85 -45.26 95.24 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.939 0.896 . . . . 75.299999999999997 110.917 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -64.26 -39.27 93.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.501 1.12 . . . . 44.340000000000003 112.45 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 -44.99 95.47 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.392 0.677 . . . . 75.439999999999998 111.958 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 22.8 t -64.71 -41.83 95.72 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.874 -0.603 . . . . 65.409999999999997 110.368 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' HD3' HD13 ' B' ' 59' ' ' ILE . 50.1 ttt180 -63.09 -34.47 77.66 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.577 1.151 . . . . 70.5 112.454 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 68.8 mt -61.69 -52.31 64.83 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.242 0.544 . . . . 70.0 109.745 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' NH1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.39 -22.28 66.9 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.483 1.113 . . . . 53.299999999999997 111.814 -174.304 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' SER . 48.7 mm-40 -66.31 -41.89 89.07 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.451 0.7 . . . . 74.239999999999995 110.763 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.8 mt -93.11 -3.44 54.11 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.858 -1.065 . . . . 53.409999999999997 113.213 -170.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 36' ' ' LEU . 45.9 t -100.55 102.36 18.66 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 122.823 0.449 . . . . 75.439999999999998 111.45 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.79 -9.58 14.45 Favored 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.515 2.143 . . . . 70.329999999999998 112.394 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 -10.01 58.33 Favored Glycine 0 C--N 1.361 1.937 0 C-N-CA 123.461 0.553 . . . . 75.5 114.295 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 HD11 ' A' ' 49' ' ' LEU . 79.8 t -56.48 125.34 66.15 Favored Pre-proline 0 CA--C 1.565 1.523 0 C-N-CA 123.838 0.855 . . . . 75.219999999999999 111.324 172.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.22 149.54 88.57 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.301 2.0 . . . . 62.25 112.787 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.43 111.8 2.47 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.567 1.147 . . . . 62.299999999999997 112.999 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.48 81.43 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.184 0.834 . . . . 73.109999999999999 115.184 173.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -82.99 141.98 31.7 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.323 0.561 . . . . 73.0 111.166 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -53.4 51.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.209 1.004 . . . . 73.129999999999995 111.589 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.537 HD11 HG13 ' A' ' 43' ' ' VAL . 44.0 mt 66.63 121.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.687 1.595 . . . . 74.030000000000001 114.283 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -75.74 161.37 29.11 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.469 0.707 . . . . 74.450000000000003 110.484 167.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.84 -26.49 68.64 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.892 0.477 . . . . 73.409999999999997 111.427 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.632 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.9 t -71.63 -42.96 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 115.939 -0.573 . . . . 74.109999999999999 110.065 174.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.884 -0.598 . . . . 34.32 111.417 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.9 mt -55.45 -52.96 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.879 0.472 . . . . 71.329999999999998 110.488 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD22 HD11 ' B' ' 36' ' ' LEU . 94.6 mt -54.62 -48.57 72.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.743 0.817 . . . . 73.450000000000003 112.538 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 59' ' ' ILE . 47.1 mt-30 -68.41 -35.67 77.99 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.76 0.824 . . . . 63.329999999999998 112.554 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 94.5 mtt-85 -78.78 -18.76 53.64 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.306 0.642 . . . . 72.25 112.014 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.3 t -72.86 -41.25 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 109.853 -0.425 . . . . 74.239999999999995 109.853 166.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -55.02 -53.99 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 109.451 -0.574 . . . . 75.230000000000004 109.451 170.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 57' ' ' ARG . 22.1 t70 -52.86 -43.24 65.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.64 1.576 . . . . 75.329999999999998 112.617 175.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HB2' HG13 ' A' ' 40' ' ' VAL . 43.8 t80 -58.79 -51.03 71.72 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.531 1.133 . . . . 73.0 111.611 175.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 39' ' ' LEU . 88.5 mt -64.76 -35.1 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.066 0.946 . . . . 75.549999999999997 111.524 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 83.1 mt -65.41 -34.56 78.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.378 0.671 . . . . 63.350000000000001 111.517 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.74 -36.5 67.75 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.657 0.783 . . . . 61.340000000000003 111.309 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.82 -45.8 92.27 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.494 0.664 . . . . 75.510000000000005 111.382 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' NE2' HG22 ' A' ' 62' ' ' ILE . 40.6 mt-30 . . . . . 0 N--CA 1.481 1.09 0 CA-C-N 114.715 -1.13 . . . . 73.120000000000005 111.391 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.238 0.542 . . . . 75.219999999999999 110.618 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.92 -30.84 69.32 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.847 0.859 . . . . 72.239999999999995 111.883 -175.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 52' ' ' VAL . 43.0 mtp -73.21 -32.95 65.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.456 0.702 . . . . 64.409999999999997 112.168 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.56 -33.8 76.76 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.223 0.609 . . . . 73.209999999999994 111.17 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -59.28 -45.09 92.19 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.311 0.644 . . . . 75.25 110.499 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 m -66.57 -44.0 83.47 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.902 -1.045 . . . . 42.420000000000002 111.567 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.33 -44.68 95.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.295 1.038 . . . . 74.030000000000001 112.663 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 50.2 m -58.19 -45.7 87.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.707 0.803 . . . . 62.229999999999997 110.52 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.02 -32.4 70.55 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.808 1.243 . . . . 73.420000000000002 112.348 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.625 HD11 HD22 ' A' ' 55' ' ' LEU . 84.3 mt -58.32 -54.32 48.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.147 0.579 . . . . 75.120000000000005 110.439 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.417 ' HG2' HG21 ' B' ' 43' ' ' VAL . 10.4 ttp85 -55.14 -33.91 63.3 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.781 1.232 . . . . 71.129999999999995 112.577 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 34' ' ' SER . 24.2 mm-40 -67.96 -33.13 74.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.596 0.758 . . . . 74.519999999999996 111.578 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.485 ' HB3' HG21 ' A' ' 62' ' ' ILE . 91.8 mt -89.12 1.33 55.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.888 0.875 . . . . 73.120000000000005 112.45 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.7 t -110.05 100.3 43.0 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 123.297 0.639 . . . . 73.219999999999999 111.764 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -67.74 -8.45 22.47 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 123.131 2.554 . . . . 74.420000000000002 113.448 169.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.02 0.87 57.54 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 114.026 0.371 . . . . 44.030000000000001 114.026 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 37' ' ' ARG . 97.6 t -81.13 117.39 67.92 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.779 0.832 . . . . 73.120000000000005 110.316 170.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.81 151.16 85.07 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.912 2.408 . . . . 63.32 113.167 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -72.71 99.52 2.61 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.464 0.706 . . . . 72.329999999999998 110.102 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.19 75.07 1.26 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-N 116.316 -0.402 . . . . 65.129999999999995 112.485 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -140.56 173.06 11.87 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.957 0.903 . . . . 62.119999999999997 111.524 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -120.59 112.8 19.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.812 0.845 . . . . 71.310000000000002 110.359 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.24 102.28 6.38 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.703 0.801 . . . . 74.439999999999998 110.317 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 34.9 m -79.36 -75.13 0.26 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.783 0.433 . . . . 74.319999999999993 110.841 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -147.01 -55.76 0.25 Allowed 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 123.474 0.71 . . . . 73.140000000000001 110.948 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.12 -45.21 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.33 0.652 . . . . 53.420000000000002 110.393 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.64 -36.4 83.71 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.693 -1.139 . . . . 62.240000000000002 111.146 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.431 ' O ' HG23 ' B' ' 58' ' ' VAL . 58.8 mt -59.49 -50.39 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.358 0.663 . . . . 75.430000000000007 110.704 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 36' ' ' LEU . 95.9 mt -55.33 -42.37 73.69 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.281 0.632 . . . . 63.329999999999998 112.001 177.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -66.13 -35.88 81.68 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.975 0.91 . . . . 63.530000000000001 111.766 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -70.56 -34.28 72.05 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.888 0.475 . . . . 72.030000000000001 111.415 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.432 HG11 HG11 ' A' ' 58' ' ' VAL . 93.7 t -67.61 -44.77 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.016 0.526 . . . . 55.039999999999999 110.773 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.489 HD13 ' HD3' ' A' ' 35' ' ' ARG . 70.1 mt -60.55 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.932 -0.396 . . . . 75.200000000000003 109.932 174.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -56.22 -37.97 70.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.066 0.946 . . . . 43.240000000000002 111.892 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.531 ' HB2' HG13 ' B' ' 40' ' ' VAL . 77.6 t80 -64.06 -46.7 83.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.946 0.898 . . . . 75.230000000000004 111.708 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 58' ' ' VAL . 52.8 mt -67.93 -39.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 120.859 0.361 . . . . 73.219999999999999 110.266 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.85 -32.43 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.186 0.994 . . . . 61.229999999999997 111.589 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.65 -38.03 89.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.136 0.974 . . . . 61.539999999999999 111.226 176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.48 -39.61 22.24 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.848 -0.615 . . . . 51.219999999999999 111.923 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -87.57 -67.34 0.83 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.48 0.712 . . . . 74.200000000000003 112.05 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.98 107.58 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.806 0.843 . . . . 54.509999999999998 111.53 -171.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 CA--C 1.569 1.678 0 C-N-CA 123.506 0.723 . . . . 71.430000000000007 112.459 178.038 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.021 0.438 . . . . 75.530000000000001 112.146 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 31' ' ' HIS . 33.0 t70 -63.23 -30.98 72.02 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.88 0.472 . . . . 61.409999999999997 111.085 175.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.599 ' HG2' HG22 ' B' ' 52' ' ' VAL . 40.8 mtp -64.3 -35.66 81.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.785 -0.643 . . . . 73.209999999999994 111.288 177.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -64.01 -33.12 75.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.338 0.655 . . . . 52.109999999999999 111.508 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 28' ' ' ASP . 93.4 m-70 -63.19 -37.97 89.33 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.883 0.473 . . . . 70.420000000000002 111.137 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -71.75 -43.93 64.96 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.659 0.784 . . . . 65.25 111.879 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -64.09 -33.12 75.05 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.832 0.853 . . . . 73.209999999999994 111.693 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -55.44 -47.53 75.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.724 0.809 . . . . 74.409999999999997 111.093 172.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -31.64 61.56 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.34 -0.845 . . . . 75.439999999999998 111.345 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.3 mt -62.92 -27.1 69.15 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.294 0.497 . . . . 62.43 111.504 174.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -68.66 -30.84 69.62 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.798 0.332 . . . . 71.109999999999999 111.555 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.78 -31.94 25.65 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.842 0.857 . . . . 52.350000000000001 111.034 -175.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' B' ' 62' ' ' ILE . 57.7 mt -75.01 -19.45 60.06 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.083 0.953 . . . . 74.299999999999997 112.237 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.603 HG11 ' HG2' ' A' ' 57' ' ' ARG . 13.2 t -111.79 97.3 37.0 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 123.37 0.668 . . . . 54.409999999999997 109.925 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.38 -18.48 20.37 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.581 2.188 . . . . 54.030000000000001 113.143 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.82 4.77 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.051 0.358 . . . . 34.039999999999999 113.312 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.76 116.88 67.22 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.806 0.842 . . . . 65.430000000000007 109.561 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.89 125.66 19.72 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 122.957 2.438 . . . . 73.0 113.715 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -65.29 103.98 0.87 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.223 0.609 . . . . 54.520000000000003 110.519 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.24 33.59 1.11 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.101 -0.5 . . . . 41.030000000000001 113.061 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -117.64 166.8 11.96 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.487 0.715 . . . . 62.149999999999999 111.285 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -116.11 -49.3 2.7 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.252 0.621 . . . . 71.400000000000006 111.168 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' NH1' ' A' ' 57' ' ' ARG . 42.9 mt 66.73 135.35 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 125.158 1.383 . . . . 71.540000000000006 112.621 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 m -131.52 -74.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.881 -0.512 . . . . 74.540000000000006 111.706 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -126.96 -78.71 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.306 0.484 . . . . 64.519999999999996 112.306 -169.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.655 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.0 t -71.93 -33.43 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-O 121.673 0.749 . . . . 73.439999999999998 111.163 -171.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 3.6 mp0 -57.2 -32.27 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.482 1.513 . . . . 72.200000000000003 111.577 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.49 HG23 HH22 ' A' ' 57' ' ' ARG . 66.9 mt -67.48 -48.34 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.547 0.739 . . . . 72.510000000000005 111.214 176.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.33 -47.79 82.6 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.358 0.663 . . . . 71.329999999999998 111.46 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.51 -39.78 92.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.976 0.91 . . . . 73.340000000000003 111.672 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' HG2' HG11 ' A' ' 40' ' ' VAL . 32.2 ttp-105 -65.75 -31.76 72.93 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.588 0.755 . . . . 73.219999999999999 111.724 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' ILE . 84.7 t -69.2 -40.47 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.275 0.63 . . . . 71.239999999999995 110.905 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.69 -39.2 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 122.856 0.462 . . . . 75.25 110.502 173.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.22 -42.56 95.45 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.236 0.615 . . . . 75.439999999999998 111.715 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.507 ' HB2' HG13 ' A' ' 40' ' ' VAL . 79.0 t80 -58.96 -53.97 52.37 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.051 0.541 . . . . 72.519999999999996 111.759 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.29 -45.62 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.125 0.57 . . . . 72.439999999999998 111.709 -174.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.78 -29.62 68.04 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.379 0.511 . . . . 72.329999999999998 112.379 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.86 -38.04 89.26 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.001 0.52 . . . . 63.149999999999999 111.075 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -70.57 -40.52 73.28 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.045 -0.525 . . . . 71.340000000000003 111.519 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 113.276 0.843 . . . . 72.310000000000002 113.276 -175.237 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 108.794 -0.817 . . . . 71.430000000000007 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.0 -34.8 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.106 0.962 . . . . 53.030000000000001 112.499 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.655 ' HG2' HG22 ' A' ' 52' ' ' VAL . 31.2 mtp -66.31 -45.31 80.78 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.056 0.543 . . . . 74.129999999999995 111.42 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.59 -34.07 77.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.569 0.748 . . . . 65.150000000000006 111.446 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -65.21 -36.31 83.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.587 0.755 . . . . 52.43 111.496 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.19 -42.34 72.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.761 0.424 . . . . 51.399999999999999 110.842 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.84 -30.36 70.06 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.203 1.001 . . . . 75.439999999999998 111.937 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 53.2 m -58.72 -48.98 79.3 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.243 0.617 . . . . 62.100000000000001 110.664 175.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -75.2 -27.65 59.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.115 0.566 . . . . 73.420000000000002 112.508 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' B' ' 58' ' ' VAL . 82.0 mt -69.14 -22.28 63.96 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.935 0.398 . . . . 75.209999999999994 110.769 168.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -88.37 -17.43 30.58 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.499 0.72 . . . . 75.109999999999999 111.451 173.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 34' ' ' SER . 15.5 mm-40 -88.82 -38.85 14.31 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.748 0.419 . . . . 63.030000000000001 111.791 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.37 -6.35 58.5 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.118 0.784 . . . . 64.439999999999998 113.118 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.98 102.41 50.55 Favored Pre-proline 0 N--CA 1.489 1.513 0 C-N-CA 122.872 0.469 . . . . 52.240000000000002 110.952 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.94 -3.84 12.46 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.822 2.348 . . . . 65.230000000000004 113.462 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.82 52.56 4.73 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.139 0.4 . . . . 71.030000000000001 113.602 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' B' ' 37' ' ' ARG . 60.3 t -104.26 136.46 19.18 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.876 1.27 . . . . 71.530000000000001 109.75 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.87 166.46 22.51 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.581 2.187 . . . . 75.329999999999998 113.441 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -71.95 94.8 1.5 Allowed 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 121.291 0.567 . . . . 75.340000000000003 109.756 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.34 -170.96 17.0 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 115.526 -0.761 . . . . 71.040000000000006 112.392 -167.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.8 m 65.96 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.808 1.243 . . . . 72.040000000000006 112.443 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.08 -13.79 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.959 0.904 . . . . 73.549999999999997 112.242 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 92.9 mt 74.1 108.57 0.07 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.908 1.683 . . . . 72.120000000000005 112.063 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.5 t -70.85 161.09 31.6 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.838 0.855 . . . . 62.420000000000002 111.219 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.41 -48.83 62.52 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 113.955 1.094 . . . . 73.319999999999993 113.955 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.9 t -74.69 -35.61 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 122.935 0.494 . . . . 65.319999999999993 111.212 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.26 84.59 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.464 0.706 . . . . 53.229999999999997 110.55 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.8 mt -58.16 -49.75 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.102 0.561 . . . . 61.409999999999997 110.517 173.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.432 ' O ' HG13 ' B' ' 59' ' ' ILE . 96.0 mt -53.73 -50.55 65.71 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.282 0.633 . . . . 75.400000000000006 111.923 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.474 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -66.65 -34.9 78.89 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.165 0.986 . . . . 64.530000000000001 112.123 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -74.81 -33.48 62.21 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.585 0.754 . . . . 75.439999999999998 111.717 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 54' ' ' ILE . 72.8 t -67.3 -39.39 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.88 0.472 . . . . 73.439999999999998 110.594 172.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 55' ' ' LEU . 91.5 mt -57.57 -52.74 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.642 0.377 . . . . 74.099999999999994 110.285 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.46 -42.85 74.86 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.1 0.96 . . . . 73.400000000000006 112.42 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.89 -47.69 83.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.51 0.724 . . . . 72.5 112.051 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 39' ' ' LEU . 65.1 mt -72.87 -26.67 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.354 0 CA-C-N 116.266 -0.425 . . . . 74.219999999999999 111.621 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 78.9 mt -60.94 -35.14 75.95 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.981 0.512 . . . . 62.310000000000002 111.456 172.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.72 -32.29 73.77 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.17 0.588 . . . . 74.519999999999996 111.361 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.46 -30.14 42.02 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.602 0.761 . . . . 75.010000000000005 111.905 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -107.78 -161.6 0.79 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.049 0.94 . . . . 71.129999999999995 111.228 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.1 120.48 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.288 0.635 . . . . 74.510000000000005 112.362 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.488 -0.768 . . . . 73.099999999999994 109.645 168.128 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 CA--C 1.551 0.988 0 N-CA-C 113.11 0.781 . . . . 62.240000000000002 113.11 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.64 -28.05 69.65 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.929 -0.578 . . . . 74.319999999999993 110.491 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.544 ' HB3' HG22 ' B' ' 52' ' ' VAL . 3.3 ptp -64.73 -30.23 71.23 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 111.959 0.355 . . . . 73.209999999999994 111.959 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -64.18 -47.53 79.47 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.23 0.612 . . . . 74.340000000000003 109.838 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -63.68 -41.44 98.16 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.455 0.702 . . . . 75.299999999999997 111.265 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 88.6 m -64.23 -36.49 84.25 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.111 0.965 . . . . 52.229999999999997 112.318 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.15 -42.95 93.29 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.032 0.933 . . . . 74.420000000000002 111.672 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 57.3 m -64.88 -41.37 95.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.489 -0.778 . . . . 64.530000000000001 111.048 173.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.26 -29.21 67.96 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.382 1.073 . . . . 73.140000000000001 111.479 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 55' ' ' LEU . 83.0 mt -60.82 -55.47 32.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.715 -0.846 . . . . 60.25 108.715 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 78.7 mtm180 -53.51 -27.3 24.8 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.916 0.886 . . . . 64.319999999999993 113.279 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 34' ' ' SER . 14.0 mm-40 -76.31 -36.29 58.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.102 0.477 . . . . 74.150000000000006 110.975 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' HB3' HG21 ' B' ' 62' ' ' ILE . 98.0 mt -92.0 -23.25 19.6 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.775 0.83 . . . . 72.430000000000007 113.14 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 61' ' ' TYR . 90.8 t -93.81 109.17 39.85 Favored Pre-proline 0 N--CA 1.488 1.463 0 C-N-CA 123.786 0.834 . . . . 71.420000000000002 111.98 -173.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.62 -12.93 29.64 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.117 2.545 . . . . 72.319999999999993 112.832 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.05 67.23 Favored Glycine 0 C--N 1.361 1.955 0 C-N-CA 122.996 0.332 . . . . 73.400000000000006 112.817 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 40' ' ' VAL . 93.5 t -76.08 110.17 10.33 Favored Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.642 0.777 . . . . 74.310000000000002 109.092 165.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -178.12 1.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.742 2.295 . . . . 70.140000000000001 113.317 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -55.69 102.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.081 0.952 . . . . 72.319999999999993 112.269 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.69 -92.05 0.6 Allowed Glycine 0 C--N 1.35 1.361 0 CA-C-N 115.756 -0.656 . . . . 64.420000000000002 112.203 -174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 m 71.22 148.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.251 1.42 . . . . 75.099999999999994 113.075 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -95.89 97.36 9.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.683 0.793 . . . . 75.230000000000004 109.714 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 53' ' ' GLU . 88.7 mt -117.47 124.23 48.27 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.256 0.622 . . . . 75.129999999999995 111.155 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -77.98 177.85 7.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.471 0.709 . . . . 71.340000000000003 110.784 170.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -58.32 -38.74 77.72 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.497 0.719 . . . . 75.340000000000003 112.515 -177.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.671 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.4 t -68.0 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-O 121.094 0.473 . . . . 65.439999999999998 110.462 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 49' ' ' LEU . 31.4 mm-40 -58.37 -36.01 72.84 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.5 1.12 . . . . 43.32 112.955 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.56 -46.88 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.315 0.246 . . . . 74.209999999999994 110.54 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -55.49 -45.38 77.01 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.481 0.712 . . . . 71.150000000000006 111.877 176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.74 -36.89 70.6 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.545 0.738 . . . . 73.450000000000003 111.985 -176.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.45 68.81 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.189 0.596 . . . . 72.230000000000004 111.639 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG22 HG21 ' A' ' 40' ' ' VAL . 79.0 t -67.14 -44.14 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 122.586 0.355 . . . . 61.310000000000002 110.499 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 76.1 mt -58.92 -41.54 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.761 0.424 . . . . 74.420000000000002 110.736 176.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.0 m-20 -59.54 -44.88 93.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.475 0.71 . . . . 51.049999999999997 111.562 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.526 ' HB2' HG13 ' A' ' 40' ' ' VAL . 49.8 t80 -56.85 -44.71 82.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.487 0.715 . . . . 62.020000000000003 111.786 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' B' ' 39' ' ' LEU . 39.9 mt -70.07 -28.6 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-N 116.42 -0.354 . . . . 54.32 110.546 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 97.5 mt -62.99 -37.48 87.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.871 0.469 . . . . 53.020000000000003 111.241 172.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.76 -39.3 88.22 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.076 0.55 . . . . 70.299999999999997 111.91 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 62' ' ' ILE . 55.3 mt -70.42 -45.95 64.89 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.957 0.903 . . . . 74.349999999999994 112.059 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 . . . . . 0 N--CA 1.479 0.998 0 CA-C-N 115.338 -0.846 . . . . 72.310000000000002 111.641 -176.475 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 . . . . . 0 CA--C 1.547 0.861 0 CA-C-O 121.574 0.702 . . . . 62.409999999999997 112.261 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.48 -30.77 69.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.01 0.924 . . . . 61.229999999999997 111.389 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.671 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.6 mtp -62.8 -46.07 89.69 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.877 0.471 . . . . 64.120000000000005 111.06 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.65 -39.81 94.33 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.401 1.081 . . . . 71.109999999999999 111.659 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -69.46 -38.14 77.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.889 0.476 . . . . 73.230000000000004 110.553 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.423 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 99.1 m -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.158 0.583 . . . . 72.329999999999998 111.607 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -63.74 -36.39 83.7 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.095 0.958 . . . . 74.340000000000003 111.489 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -60.79 -51.3 69.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.4 0.68 . . . . 43.32 110.372 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -65.88 -28.03 68.65 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 113.42 0.896 . . . . 71.519999999999996 113.42 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.439 ' O ' HG23 ' B' ' 40' ' ' VAL . 84.0 mt -60.27 -54.47 45.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 109.092 -0.707 . . . . 60.109999999999999 109.092 169.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -63.13 -20.91 65.82 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.631 0.974 . . . . 75.150000000000006 113.631 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.28 -37.69 19.73 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.506 0.322 . . . . 71.430000000000007 111.029 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 62' ' ' ILE . 70.4 mt -91.31 -11.16 38.81 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.368 0.667 . . . . 65.099999999999994 112.573 -175.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 36' ' ' LEU . 58.2 t -99.91 105.72 36.58 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.337 0.655 . . . . 63.350000000000001 110.731 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.52 -2.5 12.29 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.497 2.132 . . . . 54.539999999999999 113.166 173.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.66 -12.65 80.6 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.884 -0.398 . . . . 75.409999999999997 114.063 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.15 119.48 49.43 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.553 0.741 . . . . 73.329999999999998 111.189 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.54 142.98 55.44 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.817 2.344 . . . . 71.129999999999995 112.444 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' B' ' 45' ' ' ARG . 3.2 mpt_? -75.88 132.41 40.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 72.219999999999999 110.543 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.99 -14.01 40.7 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-O 119.771 -0.461 . . . . 73.329999999999998 114.225 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -83.58 114.72 21.73 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.58 0.69 . . . . 73.040000000000006 110.974 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -76.16 120.71 21.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.018 0.527 . . . . 64.530000000000001 110.309 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.82 130.69 53.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.461 0.704 . . . . 60.409999999999997 111.542 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.9 t -79.43 172.66 13.48 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.092 0.557 . . . . 74.329999999999998 110.959 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -46.92 -48.34 21.4 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.57 1.148 . . . . 61.310000000000002 113.456 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.56 HG12 HE21 ' B' ' 56' ' ' GLN . 11.8 t -72.62 -40.3 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 114.959 -1.019 . . . . 71.099999999999994 111.212 -177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.35 -33.73 71.51 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.134 0.974 . . . . 71.400000000000006 111.912 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 58' ' ' VAL . 90.6 mt -58.71 -56.36 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.59 0.756 . . . . 71.5 110.466 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.506 HD22 HD11 ' A' ' 36' ' ' LEU . 88.8 mt -60.55 -38.26 83.92 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.842 0.857 . . . . 71.140000000000001 112.605 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.56 HE21 HG12 ' B' ' 52' ' ' VAL . 74.5 mt-30 -57.5 -51.42 69.52 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.969 0.908 . . . . 73.120000000000005 111.492 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -75.44 -19.13 59.66 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.773 0.657 . . . . 63.420000000000002 112.773 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.454 ' O ' HG13 ' B' ' 62' ' ' ILE . 78.0 t -68.21 -43.82 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 109.683 -0.488 . . . . 74.310000000000002 109.683 167.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.36 -49.87 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.029 0.532 . . . . 73.510000000000005 110.567 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.16 -37.28 79.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.812 0.845 . . . . 73.319999999999993 112.662 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 79.7 t80 -58.92 -48.03 82.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.471 1.108 . . . . 71.409999999999997 111.138 175.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 39' ' ' LEU . 60.5 mt -69.98 -38.58 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.729 0.812 . . . . 43.530000000000001 111.247 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.12 -34.11 74.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.923 0.889 . . . . 64.030000000000001 112.696 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.86 -36.12 82.88 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.973 0.909 . . . . 75.219999999999999 111.222 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.2 mt -73.63 -41.83 62.26 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.632 0.773 . . . . 74.140000000000001 111.692 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.5 HE21 HG22 ' B' ' 62' ' ' ILE . 47.2 mt-30 -93.74 -175.65 3.81 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.348 -0.842 . . . . 65.519999999999996 112.839 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.24 132.61 32.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 123.79 0.836 . . . . 72.0 112.355 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.493 1.701 0 C-N-CA 124.614 1.166 . . . . 73.400000000000006 110.6 175.002 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.554 1.11 0 N-CA-C 110.627 -0.138 . . . . 74.129999999999995 110.627 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.03 -43.25 60.86 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 123.903 0.881 . . . . 75.450000000000003 112.099 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.2 ttm -65.38 -42.96 92.16 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.569 -1.196 . . . . 65.200000000000003 112.62 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.71 -38.92 77.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.847 0.459 . . . . 74.409999999999997 111.582 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -57.94 -44.42 86.95 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.455 0.702 . . . . 63.299999999999997 110.8 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' B' ' 55' ' ' LEU . 99.0 m -63.74 -45.85 88.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.35 -0.841 . . . . 72.430000000000007 112.053 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -65.93 -36.16 82.59 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.646 0.778 . . . . 54.340000000000003 112.519 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.6 m -65.79 -43.79 87.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.696 0.398 . . . . 62.119999999999997 110.308 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -31.46 69.65 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.734 -0.667 . . . . 73.430000000000007 111.316 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.8 mt -58.41 -54.84 42.44 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.44 -0.578 . . . . 62.229999999999997 109.44 171.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.2 -25.9 59.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.291 1.036 . . . . 75.040000000000006 112.624 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.57 -44.32 35.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.721 0.409 . . . . 55.25 111.036 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HB3' HG21 ' B' ' 62' ' ' ILE . 91.0 mt -76.11 -17.49 59.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.173 0.589 . . . . 64.25 111.974 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.9 t -100.56 101.49 15.45 Favored Pre-proline 0 N--CA 1.486 1.339 0 C-N-CA 123.608 0.763 . . . . 62.210000000000001 111.406 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 13.0 Cg_exo -71.59 -10.09 26.12 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.149 2.566 . . . . 55.439999999999998 112.559 170.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.23 -13.48 53.97 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 123.437 0.542 . . . . 25.239999999999998 114.272 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG22 ' HG2' ' A' ' 57' ' ' ARG . 24.4 t -81.65 114.39 49.63 Favored Pre-proline 0 CA--C 1.562 1.408 0 C-N-CA 123.304 0.642 . . . . 73.099999999999994 110.029 170.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.38 -178.81 1.6 Allowed 'Trans proline' 0 CA--C 1.563 1.947 0 C-N-CA 122.473 2.115 . . . . 72.040000000000006 113.501 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -68.52 110.53 4.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.541 0.737 . . . . 73.319999999999993 112.053 -173.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.64 22.48 75.25 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 115.056 0.783 . . . . 42.32 115.056 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.2 m -73.63 111.0 8.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.152 0.581 . . . . 61.219999999999999 111.582 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -81.78 110.5 17.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.771 0.828 . . . . 73.430000000000007 111.26 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.03 146.15 42.4 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.869 0.867 . . . . 75.230000000000004 110.63 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.6 p -71.65 164.64 25.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.888 -0.412 . . . . 74.430000000000007 109.888 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.89 -31.18 62.61 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.114 0.566 . . . . 74.040000000000006 111.911 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.9 t -69.55 -47.72 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.271 0.629 . . . . 53.420000000000002 110.298 176.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.1 -26.49 65.84 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.302 -0.863 . . . . 75.310000000000002 112.535 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -65.3 -48.35 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.339 -0.615 . . . . 75.239999999999995 109.339 172.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.53 -45.07 69.65 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.339 0.656 . . . . 65.420000000000002 111.681 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.47 HE21 HG12 ' A' ' 52' ' ' VAL . 69.6 mt-30 -65.29 -36.93 85.6 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.184 0.994 . . . . 74.5 112.158 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.582 ' HG2' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -70.57 -34.47 72.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.804 0.442 . . . . 73.340000000000003 110.631 178.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ILE . 86.6 t -69.13 -39.86 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.57 -0.741 . . . . 71.340000000000003 110.432 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.75 -49.75 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.276 0.63 . . . . 73.409999999999997 110.339 173.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.0 -39.99 83.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.961 0.904 . . . . 75.340000000000003 111.547 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 40' ' ' VAL . 63.9 t80 -65.23 -46.25 81.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.636 0.775 . . . . 72.420000000000002 112.52 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 48.1 mt -68.61 -33.23 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.568 -0.53 . . . . 72.049999999999997 109.568 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.86 -35.9 75.75 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.207 0.603 . . . . 74.439999999999998 111.775 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 61' ' ' TYR . 24.0 t70 -61.17 -32.39 72.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.322 0.649 . . . . 63.420000000000002 111.51 172.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.79 -30.52 22.96 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.632 0.773 . . . . 73.439999999999998 112.514 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 12.6 mm-40 . . . . . 0 N--CA 1.487 1.422 0 C-N-CA 123.376 0.67 . . . . 72.120000000000005 111.528 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.555 1.171 0 CA-C-O 121.282 0.563 . . . . 64.200000000000003 112.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.54 -28.89 67.38 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.787 0.835 . . . . 72.040000000000006 111.325 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.3 mtp -65.42 -46.89 78.19 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.612 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.2 -29.16 69.94 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.519 0.728 . . . . 75.420000000000002 111.181 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -62.54 -47.25 84.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.726 0.81 . . . . 74.430000000000007 110.628 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.94 -40.49 87.58 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.386 -0.825 . . . . 31.140000000000001 111.419 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -62.61 -36.58 83.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.04 0.936 . . . . 74.200000000000003 111.983 176.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 32.4 t -65.19 -40.81 94.74 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.199 0.6 . . . . 73.129999999999995 110.938 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -71.75 -30.97 66.17 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.73 0.412 . . . . 61.409999999999997 111.847 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' HG23 ' B' ' 40' ' ' VAL . 83.7 mt -60.66 -47.36 86.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.649 0.379 . . . . 73.319999999999993 110.397 171.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -53.33 -27.41 23.17 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.932 0.893 . . . . 73.230000000000004 113.154 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 34' ' ' SER . 21.8 mm-40 -84.68 -36.37 21.95 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.883 0.873 . . . . 75.109999999999999 110.459 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.4 ' HB3' HG21 ' A' ' 62' ' ' ILE . 81.9 mt -85.02 -6.95 59.32 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 45.520000000000003 113.232 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 47.1 t -112.44 95.14 30.29 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.024 0.529 . . . . 71.530000000000001 111.062 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.83 -8.1 18.65 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.848 2.365 . . . . 72.519999999999996 113.716 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 7.11 31.8 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.58 0.592 . . . . 55.130000000000003 114.58 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.89 116.9 64.45 Favored Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 123.368 0.667 . . . . 65.400000000000006 110.19 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.75 172.53 6.84 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.412 2.741 . . . . 71.310000000000002 113.946 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -71.71 84.71 0.9 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.299 0.64 . . . . 71.349999999999994 110.206 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.9 122.59 0.65 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 116.003 -0.544 . . . . 63.140000000000001 112.262 -172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -160.5 175.19 13.02 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.474 0.71 . . . . 72.540000000000006 110.913 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -111.96 89.96 3.21 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 122.048 0.927 . . . . 74.439999999999998 110.903 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -105.42 100.55 10.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.752 0.821 . . . . 71.400000000000006 110.34 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -82.71 -80.94 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.562 0.345 . . . . 63.109999999999999 110.796 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -143.87 -56.07 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.236 0.614 . . . . 71.010000000000005 110.393 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.25 -36.99 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 123.085 0.554 . . . . 71.349999999999994 110.361 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.12 -40.76 77.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.739 0.816 . . . . 74.040000000000006 111.491 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 58' ' ' VAL . 69.1 mt -65.19 -48.79 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.314 -0.857 . . . . 52.32 110.45 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 32' ' ' CYS . 90.1 mt -57.0 -49.58 75.33 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.352 0.661 . . . . 73.319999999999993 112.086 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.97 -38.45 91.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.397 1.079 . . . . 74.430000000000007 111.768 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -71.56 -33.62 69.26 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.28 0.632 . . . . 74.019999999999996 111.638 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 68.3 t -67.16 -46.36 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.978 0.511 . . . . 62.0 110.456 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.28 -49.11 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.024 0.53 . . . . 73.439999999999998 110.642 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.38 -37.68 81.54 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.371 0.669 . . . . 63.299999999999997 111.56 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.96 -51.61 68.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.774 0.83 . . . . 71.239999999999995 111.122 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.9 mt -65.27 -46.09 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 115.1 -0.954 . . . . 74.450000000000003 111.323 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.27 -33.06 72.92 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.709 0.803 . . . . 62.32 111.865 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.12 -31.03 67.25 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.518 0.727 . . . . 72.019999999999996 111.155 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.0 mt -77.36 -43.7 31.96 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.008 0.523 . . . . 75.439999999999998 111.632 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.36 -38.64 81.63 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.656 0.782 . . . . 54.350000000000001 111.799 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.9 t 60.36 96.61 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.52 0 C-N-CA 124.955 1.302 . . . . 74.450000000000003 112.132 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 CA--C 1.578 2.023 0 C-N-CA 124.985 1.314 . . . . 75.019999999999996 112.181 178.266 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.636 -0.505 . . . . 63.350000000000001 109.636 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.86 119.32 2.71 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.566 -0.614 . . . . 63.119999999999997 111.566 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -140.87 159.0 43.15 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.149 0.579 . . . . 75.349999999999994 111.955 -174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -111.79 170.7 7.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.61 0.764 . . . . 73.329999999999998 110.014 172.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -126.82 89.7 3.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.958 0.503 . . . . 73.150000000000006 109.857 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.84 98.25 7.74 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 109.784 -0.45 . . . . 73.299999999999997 109.784 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -159.07 137.57 10.8 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.857 0.863 . . . . 72.540000000000006 110.442 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -141.05 147.38 38.52 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.053 0.941 . . . . 75.040000000000006 109.616 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.433 ' HB2' ' HA2' ' B' ' 42' ' ' GLY . 57.9 m -139.36 132.09 29.04 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.545 0.738 . . . . 74.540000000000006 110.075 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -140.4 92.74 2.55 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.882 0.873 . . . . 70.420000000000002 109.636 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.2 ttm -128.14 -46.99 1.35 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.209 0.604 . . . . 65.040000000000006 110.341 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' B' ' 41' ' ' PRO . . . 125.54 158.8 10.09 Favored Glycine 0 N--CA 1.479 1.529 0 CA-C-N 116.661 -0.245 . . . . 74.510000000000005 113.676 173.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.48 -88.76 1.22 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 122.828 0.252 . . . . 33.439999999999998 113.356 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.07 13.56 80.99 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 113.998 0.359 . . . . 55.25 113.998 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -77.85 140.38 39.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.986 0.914 . . . . 74.030000000000001 110.823 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.45 155.71 12.68 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-O 119.796 -0.447 . . . . 52.240000000000002 113.245 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.38 -26.5 20.42 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.967 2.445 . . . . 71.329999999999998 112.525 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.75 -173.66 0.17 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.948 1.299 . . . . 71.140000000000001 113.364 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.47 141.31 50.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.62 0.768 . . . . 64.530000000000001 110.849 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.92 147.55 43.04 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.318 0.647 . . . . 72.299999999999997 112.095 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' ' HB3' ' B' ' 50' ' ' SER . 41.3 mt-10 -126.28 164.72 32.17 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 124.077 0.951 . . . . 74.099999999999994 109.71 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 103.69 0.1 Allowed 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.137 1.891 . . . . 63.310000000000002 111.165 166.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.26 109.19 1.8 Allowed 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.565 0.58 . . . . 75.549999999999997 112.565 -170.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.3 t 71.46 123.65 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.544 1.537 . . . . 75.319999999999993 113.396 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -102.08 -56.12 2.34 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.981 0.912 . . . . 75.519999999999996 110.345 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -112.5 31.01 6.63 Favored 'General case' 0 CA--C 1.564 1.516 0 C-N-CA 124.011 0.924 . . . . 75.530000000000001 109.466 -175.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.42 40.23 31.62 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.694 0.797 . . . . 73.319999999999993 110.825 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.45 -35.07 73.36 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 114.469 -1.241 . . . . 63.450000000000003 111.281 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.45 ' HB2' HG22 ' B' ' 52' ' ' VAL . 22.4 ttm -53.91 -44.56 70.66 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.899 1.28 . . . . 73.430000000000007 112.413 173.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -65.49 -40.48 93.11 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 122.997 0.519 . . . . 73.010000000000005 111.411 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -61.27 -43.61 98.59 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.127 0.489 . . . . 74.319999999999993 111.192 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.44 -47.64 78.3 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.426 -0.806 . . . . 62.149999999999999 112.275 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.36 -32.28 73.05 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.232 0.827 . . . . 74.530000000000001 113.232 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -63.11 -52.68 61.62 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.824 0.449 . . . . 75.019999999999996 110.634 173.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -65.8 -32.27 73.7 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.051 0.941 . . . . 62.32 112.727 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.9 mt -60.81 -55.01 38.23 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 122.937 0.495 . . . . 73.040000000000006 111.032 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -60.29 -18.68 51.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.665 0.987 . . . . 73.510000000000005 113.665 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.32 -34.56 21.83 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.038 0.535 . . . . 74.519999999999996 110.887 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.5 mt -78.46 -29.53 46.94 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.326 0.65 . . . . 72.129999999999995 111.509 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' LEU . 57.3 t -86.58 109.93 27.86 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 123.858 0.863 . . . . 72.420000000000002 110.228 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.64 -10.71 25.47 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 122.932 2.421 . . . . 72.530000000000001 113.92 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.65 29.08 3.36 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 115.424 0.929 . . . . 52.310000000000002 115.424 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.29 124.26 56.21 Favored Pre-proline 0 N--CA 1.484 1.229 0 CA-C-N 117.436 0.618 . . . . 63.32 109.91 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -71.28 139.78 35.79 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.771 2.314 . . . . 52.399999999999999 112.752 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.619 ' H ' ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -65.07 114.48 4.64 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.117 0.567 . . . . 74.010000000000005 111.535 177.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.76 16.87 14.33 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 116.217 -0.447 . . . . 70.109999999999999 113.87 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -114.84 140.09 49.23 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 117.603 0.701 . . . . 73.430000000000007 111.53 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.33 -43.8 11.87 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.83 -0.804 . . . . 75.129999999999995 108.83 173.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HH11 ' A' ' 57' ' ' ARG . 76.2 mt 69.99 141.38 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 125.634 1.574 . . . . 64.140000000000001 112.095 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 p -80.38 162.54 24.44 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.746 0.418 . . . . 74.409999999999997 111.272 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.55 -38.19 68.99 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.196 0.998 . . . . 73.109999999999999 112.843 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' B' ' 29' ' ' MET . 6.6 t -74.99 -41.1 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 122.985 0.514 . . . . 65.129999999999995 111.698 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.08 -41.34 68.11 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 123.265 0.626 . . . . 65.430000000000007 112.18 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 63.4 mt -56.4 -51.09 68.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 O-C-N 123.932 0.77 . . . . 74.030000000000001 110.775 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.39 -50.65 64.7 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.058 0.943 . . . . 74.239999999999995 112.7 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.12 -44.07 97.45 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.937 -1.029 . . . . 73.040000000000006 110.725 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.463 HH11 HD13 ' A' ' 49' ' ' LEU . 28.6 ttm180 -75.6 -24.07 56.52 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 124.618 1.167 . . . . 73.299999999999997 112.092 -175.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' ILE . 53.6 t -70.66 -39.11 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.301 0.641 . . . . 51.210000000000001 109.757 171.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' HE ' ' B' ' 35' ' ' ARG . 77.5 mt -62.31 -45.68 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.797 0.439 . . . . 73.040000000000006 110.962 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -55.7 -43.75 76.74 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.188 0.595 . . . . 64.439999999999998 111.451 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -56.94 -46.65 81.92 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.123 0.969 . . . . 75.120000000000005 112.092 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' VAL . 62.5 mt -71.65 -27.26 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 122.752 0.421 . . . . 74.099999999999994 111.706 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 95.0 mt -59.36 -43.7 92.81 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.027 0.531 . . . . 73.420000000000002 111.701 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.82 -33.81 76.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.523 0.729 . . . . 62.140000000000001 112.334 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.03 -35.08 66.69 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.241 0.616 . . . . 74.439999999999998 111.566 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.28 -84.96 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.615 0.766 . . . . 73.030000000000001 111.507 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -137.44 120.9 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 C-N-CA 123.889 0.876 . . . . 65.340000000000003 110.004 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.568 1.652 0 C-N-CA 123.226 0.61 . . . . 75.340000000000003 112.219 176.779 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.216 0.531 . . . . 73.430000000000007 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.04 43.24 0.02 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.415 -0.811 . . . . 43.420000000000002 111.908 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 m80 60.4 85.4 0.11 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 125.097 1.359 . . . . 60.350000000000001 112.012 -175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -67.36 136.16 54.35 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.965 0.906 . . . . 74.510000000000005 111.526 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -83.94 73.04 10.39 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.564 0.697 . . . . 74.439999999999998 110.594 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -126.83 165.62 18.99 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.026 0.93 . . . . 73.209999999999994 110.948 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -83.12 103.07 12.27 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.6 -0.727 . . . . 71.219999999999999 110.982 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -117.12 174.87 5.87 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.046 0.938 . . . . 65.209999999999994 111.157 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -134.2 42.24 2.9 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.836 0.855 . . . . 74.340000000000003 110.525 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -130.58 138.07 49.97 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 115.741 -0.663 . . . . 74.030000000000001 111.841 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' B' ' 12' ' ' GLY . 17.9 tmm? -83.67 176.06 9.26 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 123.907 0.883 . . . . 60.299999999999997 109.12 168.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SD ' ' B' ' 11' ' ' MET . . . -50.59 -32.21 23.71 Favored Glycine 0 C--N 1.357 1.722 0 N-CA-C 115.379 0.912 . . . . 61.409999999999997 115.379 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.71 -61.08 0.44 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 116.982 0.391 . . . . 71.409999999999997 112.786 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.42 -107.33 0.32 Allowed Glycine 0 N--CA 1.473 1.154 0 N-CA-C 111.746 -0.541 . . . . 61.140000000000001 111.746 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -90.43 164.31 14.33 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.256 0.622 . . . . 73.019999999999996 111.234 175.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.66 -167.7 24.53 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 115.947 -0.569 . . . . 61.219999999999999 112.923 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.04 100.44 0.53 Allowed 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.675 2.25 . . . . 74.420000000000002 112.057 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.3 94.34 0.11 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.571 0.748 . . . . 41.030000000000001 112.174 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.06 103.3 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.606 0.762 . . . . 61.130000000000003 110.246 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -168.36 171.75 8.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.032 0.933 . . . . 74.450000000000003 110.701 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.18 147.37 25.92 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.476 0.71 . . . . 64.340000000000003 110.848 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -65.17 96.29 0.27 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.414 2.076 . . . . 70.530000000000001 112.519 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -66.93 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.786 0.435 . . . . 71.310000000000002 111.408 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m 73.27 -51.62 0.7 Allowed 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.658 1.583 . . . . 60.409999999999997 113.242 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp 68.63 -74.73 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.579 1.552 . . . . 74.140000000000001 112.223 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tt -109.46 -75.65 0.62 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 108.274 -1.01 . . . . 63.310000000000002 108.274 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -161.11 17.33 0.11 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.221 1.008 . . . . 41.340000000000003 109.339 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.94 -31.12 68.41 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.199 1.0 . . . . 63.210000000000001 113.001 -164.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.537 ' HG2' HG22 ' A' ' 52' ' ' VAL . 32.6 mtp -60.42 -46.77 88.82 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.875 0.47 . . . . 74.340000000000003 111.439 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.484 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 31.2 m-80 -72.68 -26.51 61.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.1 0.96 . . . . 62.130000000000003 112.047 -175.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -63.26 -40.46 97.48 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.862 0.465 . . . . 74.030000000000001 110.964 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.28 -41.5 80.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.012 0.525 . . . . 61.219999999999999 111.447 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 17.8 m-85 -64.27 -36.47 84.21 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.02 0.928 . . . . 73.140000000000001 112.653 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 44.4 t -65.81 -45.68 81.44 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.809 0.444 . . . . 65.349999999999994 110.187 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.742 ' HE ' HG21 ' A' ' 59' ' ' ILE . 25.0 ttp180 -65.51 -26.04 67.73 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.867 0.867 . . . . 75.439999999999998 112.104 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' B' ' 40' ' ' VAL . 90.6 mt -66.77 -51.55 54.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.988 0.515 . . . . 75.549999999999997 110.609 167.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.565 HH21 HD11 ' B' ' 54' ' ' ILE . 99.6 mtt180 -56.15 -32.48 64.31 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 124.054 0.941 . . . . 62.229999999999997 112.908 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.5 mm-40 -59.67 -37.11 77.87 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.686 0.794 . . . . 74.319999999999993 110.983 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.41 -3.12 47.57 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.88 0.872 . . . . 60.450000000000003 112.661 -173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 36' ' ' LEU . 45.6 t -101.06 106.16 43.02 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.867 0.467 . . . . 74.019999999999996 110.894 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.405 ' HB3' ' HA2' ' A' ' 12' ' ' GLY . 2.2 Cg_endo -83.57 13.35 2.71 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.449 2.766 . . . . 62.420000000000002 113.111 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.433 ' HA2' ' HB2' ' A' ' 9' ' ' SER . . . -95.49 -15.09 45.01 Favored Glycine 0 C--N 1.349 1.303 0 C-N-CA 123.382 0.515 . . . . 61.130000000000003 114.247 178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.9 131.6 56.65 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.362 0.665 . . . . 72.140000000000001 111.014 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.14 -69.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 123.083 2.522 . . . . 75.209999999999994 113.834 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -179.13 -76.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.906 0.882 . . . . 54.140000000000001 109.621 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.01 66.0 0.4 Allowed Glycine 0 C--N 1.353 1.484 0 N-CA-C 111.514 -0.634 . . . . 52.520000000000003 111.514 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -102.59 172.05 7.08 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.647 0.779 . . . . 71.25 111.074 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -74.09 92.82 2.2 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.252 0.621 . . . . 74.099999999999994 110.905 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -114.25 102.97 10.63 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.366 0.667 . . . . 64.409999999999997 110.813 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.654 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 83.3 p -71.12 164.62 25.25 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.912 -0.403 . . . . 73.140000000000001 109.912 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.58 -29.66 59.44 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.021 0.528 . . . . 62.130000000000003 111.64 172.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 29' ' ' MET . 43.7 t -72.44 -51.82 27.01 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 124.001 0.92 . . . . 63.340000000000003 112.331 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.52 -26.85 66.54 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.269 0.47 . . . . 72.420000000000002 112.269 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.565 HD11 HH21 ' B' ' 37' ' ' ARG . 87.5 mt -58.45 -50.3 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 122.483 0.313 . . . . 73.430000000000007 110.495 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.99 -48.53 70.3 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.741 0.816 . . . . 75.430000000000007 111.722 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.75 -45.09 95.43 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.247 1.019 . . . . 73.319999999999993 111.556 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -75.02 -25.09 58.5 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.482 0.713 . . . . 71.129999999999995 112.363 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.24 -38.1 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 N-CA-C 109.719 -0.474 . . . . 71.329999999999998 109.719 170.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 73.8 mt -62.47 -47.46 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 N-CA-C 110.209 -0.293 . . . . 63.299999999999997 110.209 172.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.54 -39.26 73.09 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 123.76 0.824 . . . . 73.299999999999997 111.748 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.3 -46.73 89.07 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.026 -0.988 . . . . 73.420000000000002 111.507 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 83.9 mt -69.76 -27.74 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.551 0 CA-C-N 115.663 -0.698 . . . . 61.240000000000002 111.127 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 95.4 mt -67.87 -29.34 68.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.389 0.676 . . . . 73.299999999999997 111.333 176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.54 -36.85 76.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.276 0.63 . . . . 74.450000000000003 110.64 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -79.15 -33.99 43.65 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.65 0.78 . . . . 73.010000000000005 112.572 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -87.6 -33.88 18.71 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.891 0.877 . . . . 75.450000000000003 111.665 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t 57.55 81.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 125.109 1.364 . . . . 70.319999999999993 111.103 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 124.111 0.965 . . . . 63.149999999999999 110.695 -176.273 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.475 0.179 . . . . 73.120000000000005 110.607 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.31 95.86 1.72 Allowed Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.111 -0.495 . . . . 72.310000000000002 113.847 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -80.94 76.36 7.89 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.049 0.54 . . . . 74.420000000000002 109.839 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -70.61 128.36 35.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.475 0.71 . . . . 73.120000000000005 110.108 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -140.59 115.58 9.75 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.312 0.577 . . . . 74.519999999999996 110.941 -173.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -150.89 139.52 20.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.851 0.86 . . . . 72.310000000000002 110.013 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -139.54 96.25 3.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.531 -0.544 . . . . 75.25 109.531 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -150.89 155.49 39.26 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.029 0.932 . . . . 74.530000000000001 110.485 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.9 t -164.38 157.21 17.24 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.542 0.737 . . . . 74.340000000000003 110.917 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -122.18 133.26 54.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.853 0.861 . . . . 74.329999999999998 109.656 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.2 mtm -77.34 -13.84 59.85 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.71 0.804 . . . . 74.120000000000005 112.52 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.28 20.36 64.76 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 115.187 0.835 . . . . 33.329999999999998 115.187 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.35 98.32 0.44 Allowed Glycine 0 N--CA 1.48 1.627 0 CA-C-N 117.117 0.459 . . . . 72.310000000000002 112.389 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.2 -81.25 1.29 Allowed Glycine 0 N--CA 1.474 1.174 0 N-CA-C 110.532 -1.027 . . . . 40.509999999999998 110.532 -169.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt 58.1 102.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 125.096 1.358 . . . . 72.329999999999998 113.576 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.16 -73.12 0.36 Allowed Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.298 -0.723 . . . . 74.239999999999995 111.396 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -63.4 132.29 35.32 Favored 'Trans proline' 0 C--N 1.376 1.981 0 C-N-CA 122.789 2.326 . . . . 70.129999999999995 112.242 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.58 112.09 0.69 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.541 0.736 . . . . 75.239999999999995 111.107 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.98 157.03 28.2 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 120.979 0.419 . . . . 72.519999999999996 110.68 171.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -114.78 151.95 32.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.508 0.723 . . . . 65.019999999999996 111.459 -169.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 1.6 pm0 -80.04 170.47 15.68 Favored Pre-proline 0 CA--C 1.568 1.648 0 C-N-CA 123.557 0.743 . . . . 70.209999999999994 109.301 163.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 21' ' ' GLU . 16.4 Cg_endo -56.44 88.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.181 1.921 . . . . 64.209999999999994 113.113 172.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -79.34 112.75 16.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.83 0.852 . . . . 63.0 110.925 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 p -156.04 -56.45 0.09 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.838 0.855 . . . . 75.400000000000006 109.826 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.29 -37.52 37.56 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.407 0.683 . . . . 74.219999999999999 110.044 170.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -73.42 107.38 5.68 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 107.85 -1.167 . . . . 72.209999999999994 107.85 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.26 92.7 1.41 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.397 0.679 . . . . 72.030000000000001 111.7 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -54.62 -43.05 71.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.652 0.781 . . . . 73.209999999999994 110.046 170.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.594 ' HG2' HG22 ' B' ' 52' ' ' VAL . 38.6 mtp -58.58 -49.12 78.62 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.526 -0.761 . . . . 72.219999999999999 111.576 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -70.97 -29.67 65.73 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.296 0.638 . . . . 73.540000000000006 111.646 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.68 -39.83 95.29 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.414 0.686 . . . . 71.239999999999995 110.346 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.23 -38.56 81.99 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.78 0.832 . . . . 72.409999999999997 112.088 173.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.94 -30.09 67.61 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.031 0.932 . . . . 64.129999999999995 112.908 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 m -58.36 -47.29 84.27 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.22 0.608 . . . . 71.319999999999993 111.322 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -71.95 -25.2 61.79 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.142 0.793 . . . . 75.230000000000004 113.142 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 HD22 ' B' ' 55' ' ' LEU . 67.8 mt -66.99 -19.73 65.76 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 122.742 0.417 . . . . 62.439999999999998 111.765 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -89.91 -30.61 17.74 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.898 -0.501 . . . . 72.519999999999996 111.902 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' SER . 8.0 mm-40 -72.33 -44.45 62.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.679 0.752 . . . . 73.329999999999998 111.288 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' B' ' 62' ' ' ILE . 87.5 mt -87.27 -1.49 57.94 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 114.788 -1.096 . . . . 72.319999999999993 112.76 -172.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 61' ' ' TYR . 77.1 t -111.39 105.34 56.84 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.515 0.726 . . . . 64.239999999999995 111.221 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.49 -15.66 30.85 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 123.169 2.579 . . . . 44.130000000000003 113.343 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.25 -26.6 64.08 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 123.451 0.548 . . . . 73.099999999999994 114.245 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -56.85 124.06 62.21 Favored Pre-proline 0 CA--C 1.565 1.556 0 C-N-CA 123.323 0.649 . . . . 74.140000000000001 110.594 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -69.42 -173.75 0.72 Allowed 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.686 2.257 . . . . 64.439999999999998 113.731 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -60.77 103.8 0.29 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.48 0.712 . . . . 73.120000000000005 111.057 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.25 -109.83 3.06 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.885 -0.598 . . . . 42.049999999999997 112.191 -173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 m 64.66 115.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.115 1.366 . . . . 52.240000000000002 113.204 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -78.88 94.78 5.26 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.471 0.708 . . . . 74.299999999999997 110.138 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.72 134.79 41.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.769 0.827 . . . . 73.239999999999995 111.495 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 t -64.96 157.08 29.14 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.842 0.457 . . . . 44.109999999999999 109.997 168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.47 -28.24 69.15 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.758 0.423 . . . . 74.450000000000003 112.116 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.5 t -72.13 -47.4 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 122.992 0.517 . . . . 73.5 110.653 171.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -55.77 -34.49 65.29 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.376 0.67 . . . . 63.240000000000002 111.913 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.8 mt -59.48 -50.36 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 C-N-CA 123.351 0.66 . . . . 74.420000000000002 110.94 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.704 HD22 HD11 ' B' ' 36' ' ' LEU . 89.0 mt -57.55 -45.37 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.29 0.636 . . . . 62.219999999999999 111.67 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -34.2 77.67 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.153 0.981 . . . . 72.140000000000001 112.116 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.47 87.05 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.29 0.636 . . . . 63.0 111.061 172.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' ILE . 61.6 t -67.76 -39.8 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 123.174 0.59 . . . . 74.549999999999997 111.283 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.9 mt -58.52 -57.41 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.056 0.542 . . . . 75.439999999999998 110.373 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -63.61 -27.6 69.34 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.348 0.659 . . . . 73.310000000000002 112.657 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.581 ' HB2' HG13 ' A' ' 40' ' ' VAL . 24.1 t80 -61.47 -55.57 29.77 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.408 0.683 . . . . 73.230000000000004 111.362 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' B' ' 39' ' ' LEU . 45.9 mt -68.5 -31.24 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.444 0 C-N-CA 122.707 0.403 . . . . 73.319999999999993 110.951 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.27 -42.9 99.17 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.39 0.676 . . . . 71.409999999999997 111.535 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.13 -36.56 84.01 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.43 0.692 . . . . 74.409999999999997 111.823 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 83.4 mt -64.36 -47.12 80.51 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.19 0.596 . . . . 74.019999999999996 112.228 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.409 HE21 HG22 ' A' ' 62' ' ' ILE . 42.1 mt-30 -102.83 -55.5 2.42 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 115.405 -0.816 . . . . 54.020000000000003 112.53 -168.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -75.29 105.34 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.276 0.63 . . . . 65.25 110.731 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 CA--C 1.565 1.54 0 C-N-CA 123.861 0.864 . . . . 60.539999999999999 110.849 177.375 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.109 -0.33 . . . . 73.040000000000006 110.109 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.71 172.44 54.41 Favored Glycine 0 N--CA 1.479 1.566 0 CA-C-O 120.373 -0.126 . . . . 54.409999999999997 113.147 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -81.24 102.7 10.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 117.189 0.494 . . . . 74.209999999999994 111.27 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -128.25 146.77 50.64 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 124.092 0.957 . . . . 75.230000000000004 109.873 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -82.31 109.16 16.32 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.613 0.365 . . . . 72.239999999999995 110.774 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -105.81 136.08 46.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.277 0.631 . . . . 72.409999999999997 110.39 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.489 ' ND1' ' HB2' ' B' ' 9' ' ' SER . 11.2 p80 -60.37 145.69 47.03 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.273 1.029 . . . . 74.319999999999993 112.33 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -60.97 -42.87 99.16 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.271 0.629 . . . . 74.019999999999996 111.575 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' B' ' 7' ' ' HIS . 34.5 t 66.2 -178.69 0.2 Allowed 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.595 1.158 . . . . 61.509999999999998 113.011 172.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -159.88 136.99 9.45 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.012 0.925 . . . . 74.230000000000004 108.616 174.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 54.1 ttp -149.01 -48.01 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.891 0.377 . . . . 74.540000000000006 111.62 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.05 -90.36 0.13 Allowed Glycine 0 N--CA 1.469 0.841 0 N-CA-C 111.418 -0.673 . . . . 75.129999999999995 111.418 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.64 133.04 44.38 Favored Glycine 0 CA--C 1.536 1.391 0 O-C-N 124.125 0.544 . . . . 61.149999999999999 113.986 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.78 -116.91 0.43 Allowed Glycine 0 C--N 1.349 1.301 0 CA-C-N 116.504 0.152 . . . . 71.140000000000001 113.359 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -106.85 106.47 17.01 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.988 0.915 . . . . 74.340000000000003 111.336 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.85 71.81 0.06 OUTLIER Glycine 0 CA--C 1.543 1.833 0 CA-C-O 119.874 -0.404 . . . . 72.120000000000005 113.341 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -80.17 -171.36 1.23 Allowed 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.188 2.592 . . . . 65.109999999999999 113.654 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.93 31.23 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.281 0.632 . . . . 61.109999999999999 111.714 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.59 -39.24 53.18 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.666 0.786 . . . . 52.530000000000001 111.812 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -147.91 171.06 16.36 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.648 0.779 . . . . 71.430000000000007 110.508 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.44 156.24 43.58 Favored Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.443 0.697 . . . . 72.219999999999999 111.473 -175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -80.44 -174.07 2.11 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.749 2.299 . . . . 71.310000000000002 112.606 169.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.39 119.78 16.03 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.9 0.48 . . . . 63.210000000000001 111.023 174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -74.55 109.46 8.04 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.57 0.348 . . . . 74.549999999999997 110.141 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.62 -42.81 7.86 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.005 0.922 . . . . 60.509999999999998 110.495 -176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 tt -158.4 -58.37 0.07 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 107.0 -1.481 . . . . 65.129999999999995 107.0 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 61.72 75.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 74.430000000000007 111.986 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.07 -38.02 64.83 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 114.808 -1.087 . . . . 63.32 111.493 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.593 ' HG2' HG22 ' A' ' 52' ' ' VAL . 44.6 mtp -65.59 -37.11 85.7 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 115.516 -0.765 . . . . 74.420000000000002 112.003 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -65.35 -36.13 83.08 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.319 0.648 . . . . 73.420000000000002 110.892 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -65.83 -37.23 85.68 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.948 0.499 . . . . 73.010000000000005 110.958 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 72.8 m -67.48 -37.46 82.92 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.081 0.552 . . . . 75.219999999999999 111.952 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.38 -35.11 79.51 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.895 0.878 . . . . 75.519999999999996 111.795 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.1 t -60.63 -48.77 80.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.243 0.617 . . . . 43.530000000000001 110.675 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -60.21 -36.28 77.32 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.055 0.942 . . . . 71.319999999999993 112.565 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.704 HD11 HD22 ' A' ' 55' ' ' LEU . 80.5 mt -58.18 -55.87 29.34 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.781 -0.452 . . . . 63.32 109.781 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -62.28 -21.88 65.57 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.427 0.899 . . . . 73.140000000000001 113.427 178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.02 -34.29 50.71 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.338 0.589 . . . . 74.25 110.483 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 62' ' ' ILE . 97.1 mt -87.85 -18.87 28.29 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.141 0.976 . . . . 74.549999999999997 112.314 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 36' ' ' LEU . 46.0 t -105.34 100.53 26.22 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 123.717 0.807 . . . . 72.439999999999998 110.767 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.2 -7.46 16.15 Favored 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 122.822 2.348 . . . . 74.239999999999995 113.124 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.32 19.62 8.18 Favored Glycine 0 C--N 1.354 1.546 0 N-CA-C 114.815 0.686 . . . . 75.349999999999994 114.815 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.78 131.82 85.59 Favored Pre-proline 0 CA--C 1.565 1.541 0 C-N-CA 123.471 0.708 . . . . 55.350000000000001 110.57 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.432 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 12.2 Cg_endo -53.86 156.48 12.2 Favored 'Trans proline' 0 C--N 1.384 2.439 0 C-N-CA 123.323 2.682 . . . . 73.540000000000006 114.564 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.5 108.03 0.89 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.331 1.053 . . . . 74.530000000000001 112.435 -170.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.84 2.42 61.22 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 114.921 0.729 . . . . 60.43 114.921 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' B' ' 44' ' ' PRO . 26.1 m -89.83 128.04 36.09 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.265 0.626 . . . . 55.539999999999999 110.536 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -78.59 -29.89 46.35 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.37 0.668 . . . . 62.240000000000002 112.12 -175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt 66.48 121.31 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 124.851 1.261 . . . . 73.430000000000007 110.842 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.0 m -66.51 -64.05 0.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.153 0.427 . . . . 54.520000000000003 112.153 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -161.31 -55.65 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.43 0.53 . . . . 71.030000000000001 112.43 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.594 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.0 t -73.42 -37.58 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 121.722 0.772 . . . . 72.340000000000003 110.69 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.46 -29.35 67.74 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.135 -1.393 . . . . 70.439999999999998 111.422 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.42 ' O ' HG23 ' B' ' 58' ' ' VAL . 61.8 mt -65.71 -50.14 73.03 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.333 0.653 . . . . 73.420000000000002 110.63 172.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.578 HD22 HD11 ' A' ' 36' ' ' LEU . 98.4 mt -59.59 -48.82 80.16 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.299 0.64 . . . . 63.299999999999997 112.283 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -63.41 -34.79 78.5 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.616 0.767 . . . . 71.109999999999999 111.72 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -63.85 -40.58 96.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.412 0.685 . . . . 74.540000000000006 111.085 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 54' ' ' ILE . 73.4 t -67.58 -45.18 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.728 0.811 . . . . 74.439999999999998 111.387 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.92 -53.14 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 122.898 0.479 . . . . 71.120000000000005 110.687 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.25 -40.18 81.11 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.95 0.9 . . . . 62.329999999999998 111.83 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 70.2 t80 -56.95 -50.58 72.19 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.416 1.087 . . . . 74.010000000000005 111.248 176.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 39' ' ' LEU . 77.9 mt -65.01 -40.9 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 123.782 0.833 . . . . 72.319999999999993 111.578 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.52 -41.65 98.99 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.411 0.684 . . . . 74.109999999999999 111.306 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.4 -29.84 70.08 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.956 0.902 . . . . 75.109999999999999 111.844 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 76.1 mt -75.39 -54.8 6.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.917 0.487 . . . . 44.399999999999999 111.579 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -101.32 -90.67 0.33 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.243 0.617 . . . . 71.319999999999993 111.664 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 m -109.88 120.09 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.736 0.814 . . . . 61.32 111.32 -168.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m . . . . . 0 CA--C 1.567 1.625 0 CA-C-O 118.885 -0.579 . . . . 74.120000000000005 111.867 -179.194 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 111.732 0.271 . . . . 72.120000000000005 111.732 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.73 140.88 28.67 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.143 0.402 . . . . 65.25 113.912 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -90.64 149.2 22.19 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.183 0.593 . . . . 64.430000000000007 111.335 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -149.52 141.22 23.55 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.821 0.848 . . . . 60.5 110.677 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -164.86 -173.69 3.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.367 1.067 . . . . 75.420000000000002 110.008 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -157.09 166.33 33.58 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.211 0.604 . . . . 74.329999999999998 110.708 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -144.49 134.02 23.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.693 0.797 . . . . 63.210000000000001 109.982 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -92.86 151.36 20.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.237 0.615 . . . . 71.409999999999997 111.207 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -132.68 172.61 12.32 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.779 0.832 . . . . 64.319999999999993 110.586 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -146.17 141.78 27.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.32 0.648 . . . . 71.430000000000007 110.509 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.7 ptm -80.2 157.83 26.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.598 0.713 . . . . 75.439999999999998 112.448 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.02 -162.7 20.53 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.248 -0.887 . . . . 44.450000000000003 112.314 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.41 -122.9 31.46 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 114.631 0.613 . . . . 51.219999999999999 114.631 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.84 95.09 0.11 Allowed Glycine 0 CA--C 1.537 1.415 0 N-CA-C 111.9 -0.48 . . . . 52.340000000000003 111.9 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.666 ' HG3' ' HB2' ' B' ' 18' ' ' ALA . 10.3 mtpm? -69.38 102.02 1.67 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.538 0.735 . . . . 61.409999999999997 110.914 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.17 -79.17 0.03 OUTLIER Glycine 0 C--N 1.344 0.976 0 CA-C-O 119.412 -0.66 . . . . 53.240000000000002 113.045 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.74 109.76 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.93 2.42 . . . . 64.450000000000003 112.245 172.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HA ' ' HA ' ' B' ' 27' ' ' ASP . . . -134.73 131.4 37.57 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.923 0.889 . . . . 63.530000000000001 111.707 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' B' ' 7' ' ' HIS . . . -79.2 141.13 37.44 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.097 0.559 . . . . 43.200000000000003 111.212 172.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.38 165.15 15.81 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.91 -0.586 . . . . 73.109999999999999 110.337 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -57.51 118.18 23.58 Favored Pre-proline 0 CA--C 1.572 1.799 0 C-N-CA 123.162 0.585 . . . . 63.409999999999997 111.941 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 5.8 Cg_exo -78.73 55.85 5.7 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.289 2.659 . . . . 63.130000000000003 112.763 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt 65.4 173.71 0.22 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.427 1.491 . . . . 71.299999999999997 113.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -157.02 158.91 37.39 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.455 0.702 . . . . 64.329999999999998 111.174 -175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 tt -100.85 -63.31 1.14 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 108.539 -0.912 . . . . 63.32 108.539 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -122.84 114.73 20.9 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.457 -0.942 . . . . 74.140000000000001 108.457 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.93 80.07 2.81 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.51 0.724 . . . . 71.129999999999995 112.867 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -72.3 -39.59 68.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 123.386 0.674 . . . . 71.530000000000001 110.065 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.643 ' HG2' HG22 ' B' ' 52' ' ' VAL . 46.7 mtp -62.07 -36.56 82.04 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.265 -0.879 . . . . 72.340000000000003 111.691 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.99 -41.36 87.44 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.728 0.811 . . . . 73.310000000000002 111.788 178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -73.03 -30.51 63.79 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.824 0.45 . . . . 72.239999999999995 111.636 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' SG ' ' NE2' ' B' ' 56' ' ' GLN . 71.3 m -65.61 -41.56 92.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 122.975 0.51 . . . . 63.43 110.944 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -68.88 -33.29 73.54 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.441 1.096 . . . . 75.430000000000007 111.99 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 44.3 t -62.34 -48.63 78.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.32 0.648 . . . . 53.299999999999997 110.246 172.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.154 0.982 . . . . 71.549999999999997 113.108 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 58' ' ' VAL . 96.9 mt -55.48 -55.24 34.04 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 123.703 0.627 . . . . 74.319999999999993 110.147 169.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.38 -27.08 65.65 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.803 1.241 . . . . 61.229999999999997 112.754 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' SER . 13.6 mm-40 -71.04 -41.19 71.11 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.239 0.542 . . . . 74.010000000000005 110.926 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -81.4 -23.36 37.67 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.153 -0.931 . . . . 75.239999999999995 111.622 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 36' ' ' LEU . 48.5 t -92.41 109.06 35.7 Favored Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 123.637 0.775 . . . . 51.149999999999999 110.853 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -83.42 -5.62 10.96 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.593 2.196 . . . . 64.430000000000007 113.043 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.72 49.84 4.3 Favored Glycine 0 C--N 1.357 1.696 0 C-N-CA 123.147 0.403 . . . . 73.540000000000006 113.494 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.3 t -110.85 112.44 55.91 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.984 0.914 . . . . 71.230000000000004 109.735 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 14.2 Cg_exo -69.61 122.54 9.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.643 2.229 . . . . 64.319999999999993 111.825 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -72.09 119.27 16.04 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.373 0.669 . . . . 60.329999999999998 110.87 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.95 -15.66 33.64 Favored Glycine 0 N--CA 1.479 1.507 0 CA-C-N 116.253 -0.431 . . . . 53.329999999999998 113.083 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 44' ' ' PRO . 54.4 m -73.37 -49.74 25.66 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.839 0.856 . . . . 63.200000000000003 112.238 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 67.75 130.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.071 1.348 . . . . 44.350000000000001 111.865 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 mt -109.56 132.11 54.44 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.271 0.629 . . . . 74.109999999999999 111.457 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 82.6 p -83.06 176.36 9.3 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 123.023 0.529 . . . . 62.310000000000002 109.707 166.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -59.13 -34.38 71.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 117.966 0.348 . . . . 74.340000000000003 111.56 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.556 HG22 ' HG2' ' B' ' 29' ' ' MET . 16.4 t -70.46 -46.16 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.869 0.468 . . . . 73.439999999999998 111.157 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 42.1 mm-40 -61.3 -38.48 86.96 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.295 0.638 . . . . 73.329999999999998 111.808 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.1 mt -61.75 -47.73 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.204 0.602 . . . . 63.140000000000001 110.783 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -49.52 -46.22 48.24 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.169 0.588 . . . . 74.230000000000004 111.511 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -67.83 -40.21 83.8 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.135 -0.939 . . . . 72.140000000000001 112.196 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 13.0 mmp_? -67.36 -32.77 73.93 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 122.985 0.514 . . . . 72.349999999999994 111.929 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 36' ' ' LEU . 91.5 t -69.18 -41.32 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.882 0 C-N-CA 123.261 0.624 . . . . 71.540000000000006 110.715 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 95.6 mt -57.75 -50.67 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 122.583 0.353 . . . . 62.329999999999998 110.543 173.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -54.38 -46.1 72.97 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.628 0.771 . . . . 71.150000000000006 111.908 176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.45 -48.41 79.25 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.416 1.086 . . . . 72.049999999999997 112.167 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' B' ' 39' ' ' LEU . 64.5 mt -67.94 -30.41 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 122.792 0.437 . . . . 73.209999999999994 110.705 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 96.9 mt -65.87 -33.11 75.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.649 0.379 . . . . 71.349999999999994 111.494 173.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.3 -34.64 77.8 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.105 0.562 . . . . 72.219999999999999 111.902 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.62 -33.4 72.59 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.258 0.623 . . . . 71.340000000000003 111.472 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.502 HE22 HD22 ' B' ' 39' ' ' LEU . 42.1 mt-30 -89.44 152.35 21.52 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.846 0.858 . . . . 63.25 111.349 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.39 176.68 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.45 0.7 . . . . 62.200000000000003 110.712 172.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.569 1.68 0 C-N-CA 122.895 0.478 . . . . 64.129999999999995 112.048 176.515 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 111.759 0.281 . . . . 73.230000000000004 111.759 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.2 79.2 0.53 Allowed Glycine 0 N--CA 1.48 1.578 0 N-CA-C 113.856 0.302 . . . . 62.310000000000002 113.856 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -135.59 -55.87 0.79 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.987 0.915 . . . . 70.129999999999995 110.806 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -69.6 120.58 15.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.604 0.761 . . . . 75.129999999999995 112.175 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -169.12 135.65 1.73 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.421 1.089 . . . . 73.150000000000006 109.171 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -91.48 59.86 3.94 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 121.326 0.584 . . . . 72.340000000000003 111.477 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.44 ' HD2' ' HB1' ' A' ' 19' ' ' ALA . 16.7 p-80 -81.14 82.21 7.13 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.896 0.855 . . . . 54.100000000000001 110.378 173.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -82.33 70.04 9.2 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.061 0.944 . . . . 75.120000000000005 109.875 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t 64.58 1.56 1.38 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.663 1.185 . . . . 62.509999999999998 114.141 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 65.89 -71.0 0.09 Allowed 'General case' 0 CA--C 1.567 1.596 0 C-N-CA 125.484 1.514 . . . . 72.420000000000002 111.157 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -106.77 -61.08 1.58 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.71 0.804 . . . . 60.109999999999999 111.179 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.65 -157.75 31.59 Favored Glycine 0 CA--C 1.534 1.261 0 N-CA-C 112.028 -0.429 . . . . 71.5 112.028 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.36 -3.84 59.93 Favored Glycine 0 N--CA 1.48 1.567 0 N-CA-C 114.205 0.442 . . . . 62.039999999999999 114.205 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.18 42.72 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 116.919 0.359 . . . . 73.349999999999994 113.727 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -136.0 145.84 46.54 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.272 1.029 . . . . 74.049999999999997 110.981 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.25 150.98 7.99 Favored Glycine 0 CA--C 1.546 2.028 0 CA-C-O 119.34 -0.7 . . . . 70.200000000000003 112.883 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.51 145.82 65.86 Favored 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.079 2.519 . . . . 72.150000000000006 112.6 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.666 ' HB2' ' HG3' ' A' ' 15' ' ' LYS . . . -144.5 -170.6 3.42 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.242 0.617 . . . . 71.129999999999995 112.033 -175.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.7 -171.59 2.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.107 0.963 . . . . 75.109999999999999 110.208 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.18 115.89 15.31 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 122.455 0.302 . . . . 73.329999999999998 111.192 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.29 146.11 47.13 Favored Pre-proline 0 CA--C 1.567 1.598 0 C-N-CA 123.983 0.913 . . . . 74.120000000000005 110.706 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.19 157.35 58.0 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.794 2.33 . . . . 75.200000000000003 111.497 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -64.37 94.74 0.12 Allowed 'General case' 0 N--CA 1.487 1.413 0 CA-C-O 121.702 0.763 . . . . 72.099999999999994 110.49 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.7 p -174.25 -160.53 0.1 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.522 1.529 . . . . 70.319999999999993 109.027 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.12 151.37 43.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 122.989 0.515 . . . . 42.340000000000003 112.136 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tt -72.48 -77.79 0.09 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.079 -0.711 . . . . 70.409999999999997 109.079 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.598 ' HA ' ' HA ' ' A' ' 18' ' ' ALA . 40.9 m-20 53.03 115.0 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.356 1.862 . . . . 74.340000000000003 114.48 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.89 -34.38 28.07 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 124.038 0.935 . . . . 65.420000000000002 110.91 169.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 52' ' ' VAL . 29.2 mtp -64.56 -45.71 85.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.967 0.907 . . . . 61.350000000000001 111.58 175.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -62.5 -42.78 99.73 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.393 1.077 . . . . 54.329999999999998 112.254 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -64.24 -36.09 82.96 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.861 0.464 . . . . 73.430000000000007 111.831 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 75.4 m -68.53 -39.82 80.99 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 122.868 0.467 . . . . 52.299999999999997 111.624 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . 0.433 ' HD1' HG21 ' B' ' 54' ' ' ILE . 14.8 m-85 -66.38 -34.42 77.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.805 0.842 . . . . 62.210000000000001 112.072 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -57.95 -51.89 67.76 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.304 0.642 . . . . 71.420000000000002 110.318 173.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 2.3 mmp_? -61.66 -41.1 97.07 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.008 -0.996 . . . . 71.140000000000001 112.517 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.546 ' O ' HG23 ' B' ' 40' ' ' VAL . 85.5 mt -56.67 -51.3 69.27 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 117.988 0.358 . . . . 70.230000000000004 110.731 174.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -55.5 -31.2 61.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.634 0.773 . . . . 74.239999999999995 112.398 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.02 -31.79 34.45 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.917 0.487 . . . . 61.32 111.542 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.502 HD22 HE22 ' A' ' 66' ' ' GLN . 95.8 mt -83.61 -15.81 47.64 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.834 0.854 . . . . 51.140000000000001 111.986 -178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.3 t -86.11 108.33 16.8 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 109.613 -0.514 . . . . 73.510000000000005 109.613 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.5 16.1 2.04 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 123.027 2.485 . . . . 71.450000000000003 113.787 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.97 36.0 2.61 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 113.72 0.248 . . . . 25.219999999999999 113.72 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.92 115.68 65.71 Favored Pre-proline 0 CA--C 1.561 1.401 0 C-N-CA 123.136 0.575 . . . . 64.540000000000006 110.69 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.03 140.95 51.43 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.679 2.253 . . . . 65.439999999999998 112.378 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 106.7 2.47 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.218 0.607 . . . . 62.530000000000001 110.429 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.59 -22.07 6.6 Favored Glycine 0 N--CA 1.477 1.41 0 CA-C-N 116.076 -0.511 . . . . 54.009999999999998 112.714 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -74.76 100.7 4.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.604 0.762 . . . . 72.010000000000005 110.813 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -74.3 101.17 3.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.416 0.686 . . . . 71.25 110.732 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.92 108.3 6.66 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.061 0.544 . . . . 73.400000000000006 110.993 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.24 163.21 13.2 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.207 0.603 . . . . 73.019999999999996 110.731 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.89 -47.21 52.13 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.07 0.948 . . . . 61.420000000000002 113.058 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 29' ' ' MET . 9.1 t -72.58 -41.88 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.796 -0.638 . . . . 72.120000000000005 111.142 177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -59.85 -29.21 68.13 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.043 0.937 . . . . 73.319999999999993 113.243 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.433 HG21 ' HD1' ' B' ' 33' ' ' TYR . 95.7 mt -59.93 -52.6 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.191 0.596 . . . . 54.530000000000001 109.99 170.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.5 mt -59.55 -41.2 89.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 63.229999999999997 111.422 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' SG ' ' A' ' 32' ' ' CYS . 82.5 mm-40 -60.26 -41.87 94.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.947 0.899 . . . . 74.120000000000005 111.938 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -69.14 -32.72 72.27 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.996 0.518 . . . . 73.510000000000005 111.837 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 65.7 t -73.12 -48.09 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 122.745 0.418 . . . . 73.019999999999996 111.696 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -58.55 -50.12 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 123.096 0.558 . . . . 63.130000000000003 110.424 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.79 -36.37 78.84 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.345 1.058 . . . . 64.219999999999999 112.181 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.42 -51.02 71.27 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.114 0.966 . . . . 74.120000000000005 111.597 174.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.36 -35.75 68.77 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 123.111 0.564 . . . . 55.049999999999997 111.285 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 68' ' ' VAL . 86.6 mt -67.85 -29.78 69.01 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.687 0.795 . . . . 73.510000000000005 112.045 174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.37 -36.02 78.58 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.082 0.553 . . . . 63.530000000000001 110.911 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.92 -48.68 43.74 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.529 0.68 . . . . 74.450000000000003 110.757 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -88.43 -160.83 0.68 Allowed 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.385 1.074 . . . . 72.409999999999997 110.445 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 m -94.78 138.95 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 O-C-N 121.894 -0.504 . . . . 52.229999999999997 110.771 171.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.653 HG22 ' HB3' ' B' ' 63' ' ' LEU . 49.1 t . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.051 0.54 . . . . 75.219999999999999 110.298 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.638 0.256 . . . . 61.109999999999999 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.17 -132.83 1.98 Allowed Glycine 0 CA--C 1.535 1.306 0 CA-C-N 116.187 -0.46 . . . . 62.0 113.677 -176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -143.66 -164.29 1.84 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.735 0.814 . . . . 71.219999999999999 108.972 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -81.99 23.81 0.68 Allowed 'General case' 0 CA--C 1.561 1.374 0 C-N-CA 124.038 0.935 . . . . 72.140000000000001 112.845 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -79.5 76.96 6.1 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.091 0.948 . . . . 63.219999999999999 111.267 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -105.31 134.53 48.27 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.714 -0.675 . . . . 74.140000000000001 110.892 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -81.64 176.75 9.38 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.84 0.456 . . . . 73.040000000000006 110.346 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -146.02 140.98 27.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 120.836 0.351 . . . . 71.519999999999996 111.056 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' HB3' ' HB1' ' B' ' 19' ' ' ALA . 44.0 t -157.21 171.75 19.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.358 1.063 . . . . 73.209999999999994 110.026 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -154.22 85.33 1.14 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.319 1.048 . . . . 73.510000000000005 109.068 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ttt -146.16 137.36 24.57 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.295 1.038 . . . . 52.009999999999998 110.102 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.45 95.46 0.15 Allowed Glycine 0 C--N 1.347 1.146 0 N-CA-C 112.342 -0.303 . . . . 71.310000000000002 112.342 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.81 -74.91 1.23 Allowed Glycine 0 CA--C 1.533 1.193 0 N-CA-C 111.017 -0.833 . . . . 31.43 111.017 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.81 82.56 0.04 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 116.078 1.191 . . . . 50.409999999999997 116.078 168.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -154.38 102.74 2.45 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.086 0.47 . . . . 72.140000000000001 110.924 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 63.39 0.01 OUTLIER Glycine 0 CA--C 1.546 2.009 0 CA-C-N 115.732 -0.667 . . . . 75.209999999999994 112.521 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -80.89 75.8 4.85 Favored 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 123.427 2.751 . . . . 63.43 112.115 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.68 3.42 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.502 1.121 . . . . 72.010000000000005 111.28 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.79 107.14 5.06 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.71 0.804 . . . . 73.450000000000003 111.542 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -121.96 107.6 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.746 0.818 . . . . 71.129999999999995 109.902 176.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.92 138.97 39.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 122.605 0.362 . . . . 74.329999999999998 110.549 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.15 127.08 12.37 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.392 2.061 . . . . 63.240000000000002 112.229 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.46 135.95 55.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.852 0.461 . . . . 63.509999999999998 111.223 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.6 t -128.33 166.75 18.04 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.503 0.721 . . . . 71.140000000000001 111.352 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp 65.4 -78.78 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 125.31 1.444 . . . . 73.25 112.423 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 tt -157.94 169.75 23.89 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.808 0.843 . . . . 72.400000000000006 109.692 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.21 36.96 0.1 Allowed 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 124.435 1.094 . . . . 74.030000000000001 113.0 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -55.67 -42.6 75.34 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.835 0.854 . . . . 74.299999999999997 112.225 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.7 ttm -60.55 -49.16 78.67 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.76 0.824 . . . . 71.430000000000007 111.689 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -66.97 -31.75 72.54 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.478 0.711 . . . . 73.030000000000001 111.754 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -65.9 -51.07 61.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.43 1.092 . . . . 73.129999999999995 109.88 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 72.6 m -59.36 -42.92 92.68 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.493 -1.23 . . . . 75.109999999999999 111.672 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.02 -39.06 93.62 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.76 0.824 . . . . 74.319999999999993 113.079 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 m -60.07 -47.77 84.5 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.988 0.423 . . . . 72.0 110.491 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.81 -36.74 83.06 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.217 -0.901 . . . . 74.109999999999999 112.348 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 40' ' ' VAL . 62.7 mt -60.19 -52.47 65.18 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.838 0.455 . . . . 64.439999999999998 110.676 175.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HG3' HG11 ' A' ' 43' ' ' VAL . 44.3 ttt180 -55.22 -27.35 45.48 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.355 1.062 . . . . 73.230000000000004 112.618 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.91 -40.39 20.22 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.053 0.941 . . . . 73.25 111.417 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' B' ' 62' ' ' ILE . 96.3 mt -79.22 -7.95 58.64 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.563 0.745 . . . . 64.450000000000003 112.303 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' A' ' 61' ' ' TYR . 58.2 t -104.31 98.99 15.53 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.645 0.778 . . . . 73.430000000000007 111.058 175.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.22 142.66 50.95 Favored 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 122.403 2.069 . . . . 75.019999999999996 110.851 167.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.01 -21.4 15.78 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-N 116.454 -0.339 . . . . 73.040000000000006 112.428 -172.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 37' ' ' ARG . 87.6 t -67.12 121.42 78.24 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.639 0.376 . . . . 71.329999999999998 110.139 173.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 112.98 3.47 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 122.529 2.153 . . . . 65.319999999999993 112.227 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -69.18 91.72 0.53 Allowed 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 109.269 -0.641 . . . . 74.200000000000003 109.269 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 149.25 -35.08 1.07 Allowed Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.216 -0.902 . . . . 72.040000000000006 111.206 -170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -81.46 130.72 35.15 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.402 0.681 . . . . 52.539999999999999 109.941 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -67.6 -44.56 77.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.844 0.683 . . . . 74.420000000000002 112.844 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.6 mt 62.15 -167.03 0.21 Allowed 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 124.099 0.96 . . . . 73.239999999999995 111.955 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.66 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 47.2 t -146.57 172.24 13.87 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.134 0.974 . . . . 64.030000000000001 109.782 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.814 0.846 . . . . 73.030000000000001 111.699 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' B' ' 29' ' ' MET . 3.4 t -72.24 -42.05 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 115.584 -0.734 . . . . 64.319999999999993 110.884 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.66 ' HB2' ' H ' ' A' ' 50' ' ' SER . 25.5 mm-40 -58.94 -35.32 72.92 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.649 0.78 . . . . 61.109999999999999 112.597 -178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.5 mt -61.27 -49.59 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 110.029 -0.36 . . . . 75.349999999999994 110.029 173.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -53.37 -45.44 69.21 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.523 0.729 . . . . 73.420000000000002 111.848 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -60.09 -49.1 78.97 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.475 0.71 . . . . 70.349999999999994 110.868 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -61.18 -33.79 74.01 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.986 0.914 . . . . 73.230000000000004 112.177 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.6 t -68.29 -42.98 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 123.17 0.588 . . . . 75.140000000000001 110.838 176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.95 -47.69 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.739 0.416 . . . . 74.010000000000005 110.57 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.97 -42.98 77.11 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.68 0.792 . . . . 61.439999999999998 111.24 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.53 ' HB2' HG13 ' A' ' 40' ' ' VAL . 64.7 t80 -56.03 -50.04 72.03 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.239 1.016 . . . . 75.420000000000002 111.503 176.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 58' ' ' VAL . 67.8 mt -62.94 -38.42 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.293 0 C-N-CA 123.274 0.63 . . . . 73.019999999999996 111.06 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 -36.49 83.9 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.264 0.626 . . . . 71.299999999999997 112.031 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -73.04 -31.03 64.16 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.393 0.677 . . . . 73.319999999999993 111.962 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 78.6 mt -64.01 -36.25 83.38 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.316 0.579 . . . . 71.530000000000001 111.057 173.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.78 -56.89 4.31 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 115.215 -0.902 . . . . 72.019999999999996 111.132 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.32 125.15 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.664 0.785 . . . . 55.450000000000003 111.251 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 N--CA 1.489 1.505 0 C-N-CA 123.727 0.811 . . . . 53.0 109.508 169.151 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mmt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.47 0.176 . . . . 74.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.39 95.8 1.39 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 111.849 -0.5 . . . . 62.240000000000002 111.849 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -136.3 140.39 43.34 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.281 0.633 . . . . 73.540000000000006 111.842 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -152.86 156.99 40.04 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.38 1.072 . . . . 74.120000000000005 110.321 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -155.22 124.71 6.39 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.185 0.594 . . . . 73.230000000000004 110.544 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -170.14 159.55 7.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.387 1.075 . . . . 74.310000000000002 110.426 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -160.66 -74.72 0.06 Allowed 'General case' 0 CA--C 1.564 1.486 0 C-N-CA 123.269 0.628 . . . . 62.119999999999997 111.849 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 38.8 m80 59.98 149.0 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.231 1.412 . . . . 63.299999999999997 113.926 -169.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t -127.25 131.92 50.47 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.133 0.973 . . . . 74.519999999999996 110.876 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -136.09 112.89 10.21 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.808 0.843 . . . . 75.200000000000003 109.557 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 63.3 mtt -116.79 178.09 4.47 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.058 0.543 . . . . 71.400000000000006 111.144 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.37 -59.03 3.18 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.648 -0.251 . . . . 54.020000000000003 113.468 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.42 50.94 2.84 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 113.885 0.314 . . . . 73.450000000000003 113.885 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.61 68.48 3.35 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 112.069 -0.412 . . . . 71.310000000000002 112.069 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -162.96 150.64 13.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.97 0.908 . . . . 71.319999999999993 110.85 -172.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.18 90.64 0.12 Allowed Glycine 0 CA--C 1.539 1.544 0 CA-C-O 119.901 -0.388 . . . . 71.209999999999994 112.998 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -89.75 -172.56 0.62 Allowed 'Trans proline' 0 CA--C 1.56 1.813 0 C-N-CA 123.226 2.617 . . . . 64.409999999999997 112.764 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.02 171.77 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 125.184 1.393 . . . . 72.099999999999994 112.876 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 9' ' ' SER . . . -85.57 -32.95 21.85 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.217 0.607 . . . . 71.209999999999994 110.689 172.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.85 168.41 27.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.365 1.066 . . . . 75.230000000000004 110.029 175.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -134.87 160.54 68.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.457 0.703 . . . . 55.020000000000003 111.212 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -80.69 11.41 2.95 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 123.123 2.549 . . . . 53.409999999999997 113.943 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt 60.24 28.78 18.4 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.056 1.342 . . . . 72.5 113.27 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.0 m -63.8 -88.14 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.237 0.615 . . . . 71.329999999999998 111.074 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.02 -66.89 0.61 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.976 -1.12 . . . . 72.099999999999994 107.976 169.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -147.65 -67.33 0.25 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 105.754 -1.943 . . . . 70.430000000000007 105.754 173.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 56.64 79.46 0.18 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 124.974 1.421 . . . . 61.210000000000001 111.94 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -51.61 -33.45 33.13 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.279 0.632 . . . . 63.310000000000002 111.369 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' A' ' 52' ' ' VAL . 25.0 mtp -58.53 -49.87 75.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 114.884 -1.053 . . . . 75.299999999999997 110.957 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -62.92 -38.04 89.4 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.973 0.909 . . . . 74.310000000000002 111.764 -176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -67.63 -34.35 76.8 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.91 0.484 . . . . 63.530000000000001 111.491 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.74 -38.63 87.04 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.319 -0.4 . . . . 70.129999999999995 111.085 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -67.75 -29.78 69.08 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.173 0.989 . . . . 73.019999999999996 112.01 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 55.8 m -61.41 -46.47 90.0 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.281 0.632 . . . . 64.400000000000006 109.998 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.3 -43.19 95.49 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.363 0.665 . . . . 75.329999999999998 112.463 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.15 -17.86 64.99 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.001 0.52 . . . . 71.319999999999993 112.131 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -86.24 -39.16 16.85 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 123.229 0.612 . . . . 64.209999999999994 111.549 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 34' ' ' SER . 63.2 mm-40 -86.67 -39.4 16.1 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 112.896 0.702 . . . . 71.049999999999997 112.896 -170.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -76.11 -19.9 58.12 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.635 0.774 . . . . 60.020000000000003 111.596 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -93.32 109.76 42.3 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 123.252 0.621 . . . . 72.409999999999997 109.424 174.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.79 14.0 1.98 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.005 2.47 . . . . 75.439999999999998 114.389 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.52 1.17 61.84 Favored Glycine 0 N--CA 1.474 1.23 0 CA-C-O 119.675 -0.514 . . . . 70.099999999999994 114.09 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 67.8 t -81.43 124.92 79.92 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-N 117.206 0.503 . . . . 61.25 112.159 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.33 143.73 48.96 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.862 2.375 . . . . 74.230000000000004 112.433 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -69.23 96.09 0.81 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.437 0.695 . . . . 73.349999999999994 109.456 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.87 102.91 1.0 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 110.927 -0.869 . . . . 43.210000000000001 110.927 -169.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -153.6 174.92 13.83 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.613 0.765 . . . . 73.340000000000003 111.84 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -102.54 28.53 5.94 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.013 0.925 . . . . 70.120000000000005 112.442 -171.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.9 115.59 14.67 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.758 0.651 . . . . 73.519999999999996 112.758 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.418 ' OG ' ' HG2' ' B' ' 53' ' ' GLU . 54.7 p -84.8 175.88 8.87 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.458 -0.571 . . . . 60.329999999999998 109.458 166.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.0 -35.75 75.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.11 0.564 . . . . 74.340000000000003 111.832 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' B' ' 56' ' ' GLN . 40.3 t -68.22 -46.43 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 122.742 0.417 . . . . 71.010000000000005 110.563 176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 15.2 mm-40 -58.75 -38.19 77.89 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.584 0.754 . . . . 70.420000000000002 111.953 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.535 HG12 HH21 ' B' ' 57' ' ' ARG . 84.9 mt -59.62 -48.04 88.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.608 0.763 . . . . 71.340000000000003 111.34 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.5 -43.6 71.95 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.567 0.747 . . . . 62.039999999999999 112.233 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 52' ' ' VAL . 67.5 mt-30 -60.02 -48.87 79.91 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.321 -0.854 . . . . 55.0 111.025 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.535 HH21 HG12 ' B' ' 54' ' ' ILE . 37.3 mtm105 -60.25 -38.39 83.35 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.633 0.773 . . . . 61.450000000000003 112.476 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.412 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -64.67 -39.73 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.166 0.586 . . . . 74.340000000000003 110.855 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.02 -50.04 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 122.779 0.432 . . . . 61.240000000000002 110.504 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -60.55 -34.49 74.23 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.379 0.672 . . . . 64.230000000000004 112.132 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.405 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 81.9 t80 -65.25 -49.27 70.29 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.804 0.842 . . . . 74.140000000000001 110.875 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 39' ' ' LEU . 84.3 mt -62.35 -54.9 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 123.434 0.693 . . . . 65.209999999999994 110.687 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.12 -29.69 68.78 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.938 0.895 . . . . 70.409999999999997 112.68 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.76 -45.67 91.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.521 0.728 . . . . 63.509999999999998 111.288 173.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.5 mt -65.72 -39.53 91.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.204 0.602 . . . . 72.409999999999997 111.352 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 14.9 mm100 -61.98 -58.07 9.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.027 0.931 . . . . 62.130000000000003 112.386 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.77 160.52 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.447 0.699 . . . . 72.319999999999993 112.244 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 57.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.857 0.863 . . . . 39.149999999999999 110.429 177.744 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 110.308 -0.256 . . . . 64.019999999999996 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.75 28.35 70.95 Favored Glycine 0 CA--C 1.54 1.642 0 CA-C-N 116.575 -0.284 . . . . 73.010000000000005 113.249 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -111.34 116.83 31.64 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.277 1.031 . . . . 71.25 110.383 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -102.15 103.85 14.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.485 0.714 . . . . 65.420000000000002 110.505 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -71.41 97.96 1.72 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.504 0.722 . . . . 72.109999999999999 111.322 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -163.23 -35.62 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.879 1.272 . . . . 54.310000000000002 110.065 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -65.35 107.12 1.54 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.135 0.974 . . . . 73.530000000000001 111.826 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -79.07 119.62 22.46 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.79 0.836 . . . . 62.420000000000002 110.339 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -87.23 89.49 8.02 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.271 0.629 . . . . 71.040000000000006 111.034 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -97.17 103.22 15.13 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.649 0.78 . . . . 72.430000000000007 110.566 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.6 mtm -127.25 134.65 50.04 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.856 0.862 . . . . 73.129999999999995 110.432 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.72 35.89 2.15 Favored Glycine 0 N--CA 1.479 1.55 0 CA-C-N 116.676 -0.238 . . . . 53.149999999999999 112.724 178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.62 -167.66 53.97 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.689 -0.255 . . . . 71.5 113.645 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.67 165.68 36.58 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.364 0.425 . . . . 64.319999999999993 113.288 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 157.87 31.19 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.67 1.188 . . . . 72.099999999999994 109.078 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.2 92.68 0.08 OUTLIER Glycine 0 C--N 1.344 1.013 0 CA-C-O 119.051 -0.861 . . . . 61.520000000000003 112.794 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.22 88.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.913 2.409 . . . . 50.109999999999999 112.23 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.15 93.51 1.53 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.208 1.003 . . . . 70.310000000000002 109.633 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HB2' ' HE2' ' B' ' 15' ' ' LYS . . . -150.07 117.85 6.22 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 71.209999999999994 110.33 -177.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.17 117.61 34.16 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.512 0.725 . . . . 64.140000000000001 109.552 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -75.0 136.07 73.43 Favored Pre-proline 0 CA--C 1.563 1.464 0 C-N-CA 122.54 0.336 . . . . 71.319999999999993 110.758 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -83.0 -173.76 1.8 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.821 2.348 . . . . 73.140000000000001 113.518 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.4 mt -90.26 178.75 6.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.408 0.683 . . . . 74.420000000000002 112.028 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -84.3 73.25 10.48 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.73 0.776 . . . . 73.420000000000002 110.51 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.9 mt -112.22 178.44 4.31 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.625 0.77 . . . . 71.430000000000007 110.724 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -78.78 -52.9 7.71 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 108.938 -0.764 . . . . 74.340000000000003 108.938 171.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 62.42 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.591 1.557 . . . . 74.0 111.977 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.54 -38.39 77.71 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.737 0.815 . . . . 74.450000000000003 110.794 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.633 ' HB3' HG22 ' B' ' 52' ' ' VAL . 9.2 ptm -67.46 -35.33 78.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.029 -0.987 . . . . 72.439999999999998 112.132 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.96 -38.17 79.24 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.748 0.819 . . . . 74.030000000000001 110.588 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -62.38 -41.64 98.79 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 115.824 -0.626 . . . . 72.109999999999999 110.75 171.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.5 m -62.53 -39.02 92.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.348 0.659 . . . . 72.140000000000001 111.347 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -65.24 -35.3 80.63 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.938 0.895 . . . . 75.239999999999995 112.65 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -61.74 -43.84 98.08 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.927 -0.579 . . . . 44.450000000000003 110.405 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -31.56 60.73 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.38 0.672 . . . . 61.299999999999997 112.214 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.1 mt -62.07 -45.12 94.91 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.032 0.378 . . . . 70.409999999999997 110.225 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -60.45 -19.45 56.45 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.339 0.866 . . . . 74.230000000000004 113.339 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.21 -39.41 15.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.167 0.587 . . . . 65.099999999999994 110.392 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.9 mt -72.66 -25.74 61.39 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.755 0.822 . . . . 72.230000000000004 111.936 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' LEU . 44.2 t -94.5 108.66 38.23 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 123.711 0.804 . . . . 75.120000000000005 110.494 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.79 -9.26 17.0 Favored 'Trans proline' 0 C--N 1.378 2.115 0 C-N-CA 122.514 2.143 . . . . 61.399999999999999 113.036 176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.03 9.08 58.43 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.501 0.56 . . . . 74.299999999999997 114.501 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.68 120.77 81.0 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-N 117.556 0.678 . . . . 74.230000000000004 110.847 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.23 144.42 80.95 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.669 2.246 . . . . 73.030000000000001 112.609 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -68.75 130.18 42.06 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.399 0.68 . . . . 70.040000000000006 111.574 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.36 40.47 94.57 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 123.461 0.476 . . . . 62.240000000000002 113.424 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 m -128.89 112.0 13.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.456 0.702 . . . . 73.140000000000001 110.643 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -78.17 95.57 4.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.237 0.615 . . . . 71.439999999999998 109.868 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.8 mt -77.11 113.62 15.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.952 -0.567 . . . . 60.229999999999997 110.163 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 42.0 t -60.93 158.31 13.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.772 0.429 . . . . 63.539999999999999 110.558 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.19 -34.93 33.84 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.187 0.81 . . . . 72.109999999999999 113.187 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.668 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.9 t -72.15 -42.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 123.5 0.72 . . . . 64.230000000000004 111.027 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 50' ' ' SER . 6.6 mm-40 -70.26 -27.29 64.32 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.846 0.858 . . . . 73.200000000000003 111.512 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.9 mt -64.04 -48.17 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.85 0.86 . . . . 62.340000000000003 110.056 172.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD22 HD11 ' B' ' 36' ' ' LEU . 95.1 mt -52.81 -48.11 67.16 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.401 0.68 . . . . 74.340000000000003 111.793 176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.461 HE21 HG12 ' A' ' 52' ' ' VAL . 68.0 mt-30 -62.18 -43.91 97.77 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.951 -1.022 . . . . 71.209999999999994 111.408 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -33.81 76.66 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.512 0.725 . . . . 72.329999999999998 111.44 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ILE . 93.1 t -68.11 -36.92 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 123.391 0.676 . . . . 71.319999999999993 110.785 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.39 -46.38 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 122.848 0.459 . . . . 73.510000000000005 110.422 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.88 -50.12 71.51 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 122.973 0.509 . . . . 72.510000000000005 111.303 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.78 -49.47 70.84 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.236 1.014 . . . . 74.209999999999994 112.26 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.7 mt -69.54 -37.06 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 C-N-CA 123.005 0.522 . . . . 60.039999999999999 111.233 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.83 -30.77 71.06 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 112.534 0.568 . . . . 73.439999999999998 112.534 175.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -73.4 -31.04 63.65 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.094 0.558 . . . . 63.229999999999997 111.815 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.96 -29.89 50.08 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.33 0.586 . . . . 74.340000000000003 111.637 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -103.68 -166.59 1.27 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.541 1.137 . . . . 74.099999999999994 110.129 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.49 -167.07 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.563 0.745 . . . . 74.319999999999993 110.865 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 CA--C 1.564 1.497 0 C-N-CA 123.363 0.665 . . . . 63.020000000000003 110.924 175.525 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.494 0.187 . . . . 70.430000000000007 110.724 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.8 45.16 0.08 OUTLIER Glycine 0 N--CA 1.473 1.135 0 N-CA-C 111.635 -0.586 . . . . 64.530000000000001 111.635 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -67.65 102.2 1.15 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.176 0.99 . . . . 75.510000000000005 111.978 -173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -77.28 140.93 40.16 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.271 0.628 . . . . 71.299999999999997 110.631 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -155.2 -10.89 0.12 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.251 0.463 . . . . 64.019999999999996 112.251 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -71.31 138.51 49.36 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.25 0.548 . . . . 75.319999999999993 111.361 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -83.42 -62.7 1.52 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.664 0.786 . . . . 65.340000000000003 112.75 -168.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -104.5 116.73 32.61 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.796 0.665 . . . . 62.100000000000001 112.796 -170.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.8 m -146.13 106.16 4.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.558 1.143 . . . . 64.439999999999998 108.62 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -126.18 91.35 3.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.981 0.913 . . . . 73.420000000000002 109.95 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.1 ptp -92.71 147.32 22.96 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.095 0.558 . . . . 70.120000000000005 111.342 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.9 114.37 4.33 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.906 -0.386 . . . . 72.109999999999999 112.153 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.87 69.06 2.47 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.865 0.332 . . . . 64.200000000000003 113.798 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.1 116.11 5.49 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 123.007 0.337 . . . . 23.43 112.589 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -119.7 171.8 8.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.597 0.759 . . . . 64.0 110.018 177.351 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.36 98.0 1.9 Allowed Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.025 -1.63 . . . . 43.329999999999998 109.025 161.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.62 144.15 76.25 Favored 'Trans proline' 0 C--N 1.388 2.614 0 C-N-CA 123.165 2.576 . . . . 73.349999999999994 113.763 -171.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' B' ' 28' ' ' ASP . . . -72.35 178.53 3.9 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.822 0.849 . . . . 72.530000000000001 112.59 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 26.31 0.33 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 113.595 0.961 . . . . 62.409999999999997 113.595 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -110.4 171.2 7.6 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.521 0.728 . . . . 51.539999999999999 112.042 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.11 154.52 79.98 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 115.026 -0.988 . . . . 64.239999999999995 111.366 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.37 100.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.87 2.38 . . . . 73.120000000000005 113.145 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -116.15 167.36 11.06 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.015 0.926 . . . . 62.509999999999998 110.577 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 77.5 p -49.51 -40.78 38.9 Favored 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 124.486 1.114 . . . . 62.100000000000001 113.077 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tt -139.04 108.02 6.0 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.747 -0.835 . . . . 72.230000000000004 108.747 176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.61 128.48 42.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.775 -0.824 . . . . 72.299999999999997 108.775 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -90.9 56.55 3.25 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 123.881 0.873 . . . . 71.230000000000004 111.574 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' B' ' 18' ' ' ALA . 10.4 m-20 -51.78 -39.5 58.74 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.734 1.213 . . . . 72.299999999999997 112.728 -175.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.668 ' HG2' HG22 ' A' ' 52' ' ' VAL . 38.7 mtp -71.54 -40.7 69.88 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.01 -0.995 . . . . 50.140000000000001 112.169 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -64.3 -36.07 82.91 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.924 0.889 . . . . 75.5 111.915 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.4 -42.34 77.8 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.366 0.667 . . . . 74.5 111.191 173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.0 m -72.39 -39.9 67.62 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.421 0.689 . . . . 73.129999999999995 111.502 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.58 -36.21 73.61 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.83 0.852 . . . . 71.5 112.285 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 52.3 m -56.52 -49.29 75.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.516 0.726 . . . . 73.420000000000002 111.737 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -74.28 -26.33 60.13 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.36 0.504 . . . . 72.239999999999995 112.36 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.502 HD11 HD22 ' A' ' 55' ' ' LEU . 89.5 mt -58.84 -49.73 76.65 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.839 -0.43 . . . . 73.140000000000001 109.839 169.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -58.11 -28.62 64.8 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.848 0.684 . . . . 75.239999999999995 112.848 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.9 mm-40 -81.96 -43.33 18.2 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.313 0.645 . . . . 63.520000000000003 110.353 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.2 mt -78.25 -16.11 58.13 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.095 -0.957 . . . . 71.200000000000003 112.056 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 41.4 t -103.66 96.64 9.23 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.701 0.8 . . . . 75.530000000000001 110.542 174.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.41 -3.26 13.6 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.552 2.168 . . . . 73.319999999999993 112.583 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.71 -4.93 77.55 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 119.903 -0.387 . . . . 63.350000000000001 113.82 174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.709 HG22 ' HG2' ' B' ' 57' ' ' ARG . 26.9 t -79.21 122.32 84.1 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 117.187 0.493 . . . . 74.209999999999994 110.045 171.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.489 ' HG2' ' HB ' ' B' ' 47' ' ' THR . 20.3 Cg_endo -71.73 110.56 2.92 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 121.484 1.456 . . . . 64.120000000000005 110.394 169.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.42 91.14 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.641 0.776 . . . . 73.0 110.937 -170.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.32 20.95 1.71 Allowed Glycine 0 N--CA 1.48 1.633 0 CA-C-N 115.713 -0.676 . . . . 53.329999999999998 113.21 -175.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.509 HG23 ' HG ' ' B' ' 49' ' ' LEU . 9.7 t -87.57 -17.32 32.25 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.708 0.803 . . . . 43.43 112.513 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 61.94 78.76 0.28 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.423 1.089 . . . . 74.140000000000001 112.069 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.509 ' HG ' HG23 ' B' ' 47' ' ' THR . 76.2 mt -101.79 142.73 32.66 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.499 0.72 . . . . 63.229999999999997 110.922 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.6 t -85.18 175.6 8.87 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.845 0.458 . . . . 72.400000000000006 110.147 168.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -48.83 -37.85 20.56 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.666 1.186 . . . . 75.150000000000006 113.02 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.4 t -72.04 -47.4 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 C-N-CA 123.426 0.69 . . . . 71.219999999999999 111.797 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' B' ' 49' ' ' LEU . 1.7 mp0 -67.28 -26.2 66.43 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.187 0.595 . . . . 74.430000000000007 112.187 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 78.9 mt -56.87 -51.73 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.772 -0.455 . . . . 75.030000000000001 109.772 168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.52 -42.66 96.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.716 0.807 . . . . 62.32 111.939 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.564 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -59.84 -45.49 92.23 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.473 0.709 . . . . 74.439999999999998 110.874 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.709 ' HG2' HG22 ' B' ' 43' ' ' VAL . 0.3 OUTLIER -66.6 -34.49 78.01 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.552 0.741 . . . . 60.399999999999999 111.486 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.14 -41.85 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.387 0.675 . . . . 72.310000000000002 110.665 173.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.54 -48.06 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 122.71 0.404 . . . . 62.009999999999998 110.431 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -57.44 -41.86 81.33 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.546 0.738 . . . . 64.430000000000007 111.774 177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.49 -51.1 70.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.572 1.149 . . . . 75.200000000000003 111.69 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 39' ' ' LEU . 87.9 mt -61.72 -47.42 93.38 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.363 0.665 . . . . 64.239999999999995 110.474 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.54 -32.92 73.01 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.77 0.828 . . . . 73.310000000000002 112.441 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.38 -39.45 87.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.799 0.84 . . . . 72.530000000000001 110.799 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.12 -36.2 27.74 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.66 0.784 . . . . 72.129999999999995 111.81 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.59 -37.88 73.95 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.14 0.976 . . . . 74.25 112.084 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t 57.39 87.41 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.498 0 C-N-CA 124.421 1.089 . . . . 71.120000000000005 111.26 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.565 1.541 0 C-N-CA 123.645 0.778 . . . . 73.109999999999999 111.113 -173.127 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 110.172 -0.307 . . . . 55.509999999999998 110.172 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.61 142.75 17.14 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 123.224 0.44 . . . . 75.25 112.791 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -102.36 109.91 21.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.437 0.695 . . . . 70.040000000000006 109.828 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -159.48 151.97 21.31 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.192 0.597 . . . . 72.420000000000002 111.062 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -147.38 132.72 18.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.564 0.746 . . . . 65.010000000000005 109.583 172.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -74.03 122.7 23.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.477 0.711 . . . . 62.530000000000001 110.405 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.28 90.82 0.7 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.161 0.584 . . . . 75.150000000000006 110.374 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -78.07 81.36 4.46 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.435 0.694 . . . . 70.530000000000001 110.652 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 p -83.92 101.33 11.61 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.39 0.676 . . . . 64.400000000000006 111.405 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -120.41 102.26 8.34 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.133 0.973 . . . . 75.430000000000007 110.115 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -87.85 128.82 35.34 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.328 0.651 . . . . 75.230000000000004 110.959 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.39 -141.5 7.69 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 112.211 -0.355 . . . . 71.219999999999999 112.211 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.1 -74.38 2.03 Favored Glycine 0 N--CA 1.476 1.341 0 CA-C-N 117.201 0.5 . . . . 64.430000000000007 113.47 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.11 57.33 4.83 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 122.763 0.221 . . . . 42.130000000000003 113.461 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.8 164.28 16.47 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.871 0.868 . . . . 74.430000000000007 111.289 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.34 78.55 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 CA-C-O 119.674 -0.515 . . . . 44.219999999999999 113.47 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -79.67 45.49 1.96 Allowed 'Trans proline' 0 CA--C 1.564 2.015 0 C-N-CA 122.794 2.329 . . . . 73.239999999999995 114.014 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 117.17 6.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.75 0.82 . . . . 74.310000000000002 110.392 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.82 -175.95 4.13 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.828 0.851 . . . . 73.319999999999993 110.4 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' HB3' HG23 ' A' ' 52' ' ' VAL . 17.8 pt-20 -93.9 171.06 9.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.743 0.817 . . . . 70.109999999999999 112.5 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -141.93 160.81 54.3 Favored Pre-proline 0 CA--C 1.564 1.511 0 C-N-CA 123.528 0.731 . . . . 73.120000000000005 111.777 -174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -62.26 150.68 86.08 Favored 'Trans proline' 0 C--N 1.388 2.636 0 C-N-CA 123.232 2.622 . . . . 62.530000000000001 114.425 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.4 mt -94.5 146.38 24.14 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.001 0.92 . . . . 71.099999999999994 109.926 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.5 p -132.37 178.14 7.05 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 122.997 0.519 . . . . 42.509999999999998 112.311 -170.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt 49.77 -81.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 125.68 1.592 . . . . 73.430000000000007 114.491 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.85 -58.22 0.15 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.657 -1.238 . . . . 72.540000000000006 107.657 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 60.42 107.29 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.551 1.54 . . . . 75.25 112.628 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.09 -31.55 70.13 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.47 0.708 . . . . 73.040000000000006 111.151 174.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.631 ' HG2' HG22 ' B' ' 52' ' ' VAL . 34.4 mtp -66.5 -46.31 76.67 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.118 -0.946 . . . . 71.049999999999997 110.74 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 33' ' ' TYR . 45.2 t30 -63.62 -32.28 73.7 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.709 0.803 . . . . 73.519999999999996 111.779 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -62.41 -42.81 99.72 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 122.967 0.507 . . . . 75.219999999999999 110.265 172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.86 -34.2 71.41 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.147 0.579 . . . . 63.210000000000001 111.656 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 30' ' ' ASN . 20.0 m-85 -64.58 -29.94 70.96 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.239 1.016 . . . . 60.219999999999999 111.501 176.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 42.4 t -58.15 -54.6 45.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.258 0.623 . . . . 73.209999999999994 110.656 174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -62.01 -38.51 88.92 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.597 0.759 . . . . 71.430000000000007 112.759 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD11 HD22 ' B' ' 55' ' ' LEU . 84.2 mt -56.21 -55.72 29.69 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.515 -0.55 . . . . 63.009999999999998 109.515 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG3' HG11 ' A' ' 43' ' ' VAL . 27.1 ttp180 -53.7 -31.7 48.99 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.598 1.159 . . . . 64.319999999999993 112.674 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' SER . 25.9 mm-40 -75.56 -37.55 59.86 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.055 0.455 . . . . 63.119999999999997 110.949 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.79 -12.06 43.13 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.773 0.829 . . . . 71.540000000000006 112.03 -177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 58' ' ' VAL . 97.4 t -103.31 110.77 64.37 Favored Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 123.609 0.764 . . . . 35.119999999999997 112.101 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.84 -17.71 32.45 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 123.215 2.61 . . . . 60.439999999999998 113.303 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.35 -27.93 66.33 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 114.047 0.379 . . . . 64.439999999999998 114.047 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG11 ' HG3' ' A' ' 37' ' ' ARG . 42.6 t -85.47 114.71 57.98 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 109.039 -0.726 . . . . 74.310000000000002 109.039 170.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.14 75.57 4.56 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.286 1.991 . . . . 64.439999999999998 113.16 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 59.5 -152.83 0.39 Allowed 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.136 0.975 . . . . 63.109999999999999 111.909 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.27 59.52 4.33 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 114.224 0.45 . . . . 74.019999999999996 114.224 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -76.22 -13.72 60.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.989 0.915 . . . . 44.439999999999998 110.589 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 69.8 87.31 0.12 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.204 1.402 . . . . 64.329999999999998 112.115 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 53' ' ' GLU . 88.9 mt -99.79 149.48 23.31 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.239 1.015 . . . . 63.299999999999997 109.163 172.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -72.44 -73.85 0.18 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 117.72 0.236 . . . . 61.130000000000003 111.448 -171.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.07 -54.23 0.07 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.514 0.561 . . . . 74.420000000000002 112.514 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG12 HE21 ' A' ' 56' ' ' GLN . 14.3 t -72.75 -34.81 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 122.667 0.387 . . . . 61.25 111.08 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.9 mm-40 -53.43 -46.49 69.83 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.048 0.939 . . . . 72.409999999999997 111.802 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.5 mt -58.26 -54.0 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 O-C-N 123.705 0.628 . . . . 61.020000000000003 110.25 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 96.4 mt -51.02 -47.89 61.56 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.156 0.983 . . . . 71.120000000000005 113.349 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.508 HE21 HG12 ' A' ' 52' ' ' VAL . 78.6 mt-30 -59.72 -42.52 93.29 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.575 0.75 . . . . 71.040000000000006 111.595 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -75.43 -23.58 56.98 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.578 0.751 . . . . 60.229999999999997 112.304 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' ILE . 88.0 t -68.1 -45.97 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 122.78 0.432 . . . . 74.219999999999999 109.857 172.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' B' ' 32' ' ' CYS . 68.3 mt -55.49 -46.43 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.257 0.623 . . . . 62.420000000000002 110.061 172.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.2 -42.97 78.02 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.358 1.063 . . . . 72.310000000000002 112.067 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.81 -46.53 87.56 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.237 0.615 . . . . 74.120000000000005 111.682 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' B' ' 39' ' ' LEU . 63.1 mt -68.71 -37.03 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 C-N-CA 122.526 0.33 . . . . 32.100000000000001 111.21 -176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.14 -29.38 68.26 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.425 0.69 . . . . 73.329999999999998 111.5 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.21 77.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 122.934 0.494 . . . . 63.530000000000001 111.244 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 48.4 mt -82.38 -37.48 25.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.744 0.818 . . . . 75.420000000000002 112.138 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -86.55 -51.94 5.87 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.649 0.78 . . . . 75.219999999999999 112.87 -171.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 68' ' ' VAL . 27.1 t -79.67 127.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 122.941 0.497 . . . . 71.099999999999994 110.524 -178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG23 HG12 ' A' ' 67' ' ' VAL . 62.1 t . . . . . 0 CA--C 1.576 1.955 0 C-N-CA 124.886 1.274 . . . . 75.510000000000005 112.128 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 110.607 -0.146 . . . . 72.219999999999999 110.607 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.86 75.8 1.11 Allowed Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.661 -0.245 . . . . 44.020000000000003 112.881 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.59 161.79 17.53 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.749 0.82 . . . . 75.319999999999993 111.092 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -100.88 134.86 43.24 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.959 0.904 . . . . 75.129999999999995 110.677 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -80.17 117.31 20.85 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.059 0.457 . . . . 72.540000000000006 109.85 175.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -105.46 151.6 24.05 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.404 0.682 . . . . 70.409999999999997 111.958 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 69.27 125.59 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.227 1.411 . . . . 73.150000000000006 113.439 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -104.11 117.1 33.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.506 0.723 . . . . 74.219999999999999 109.601 168.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 113.61 7.96 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.039 0.535 . . . . 64.230000000000004 110.952 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -132.82 176.95 8.02 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.839 0.856 . . . . 73.25 110.699 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 14.5 tpt -68.12 112.58 5.15 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 122.882 0.473 . . . . 73.409999999999997 110.642 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.56 164.8 10.68 Favored Glycine 0 N--CA 1.475 1.288 0 C-N-CA 122.806 0.241 . . . . 31.52 113.482 177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.98 51.63 6.84 Favored Glycine 0 C--N 1.349 1.287 0 C-N-CA 122.733 0.206 . . . . 70.140000000000001 112.847 -177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.92 96.56 0.32 Allowed Glycine 0 C--N 1.347 1.168 0 C-N-CA 122.87 0.271 . . . . 73.239999999999995 112.892 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.61 -178.88 7.0 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.541 0.736 . . . . 74.519999999999996 111.23 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.35 64.94 0.43 Allowed Glycine 0 CA--C 1.541 1.694 0 CA-C-O 119.408 -0.662 . . . . 52.119999999999997 114.329 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -84.06 175.04 7.85 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.81 2.34 . . . . 73.400000000000006 111.996 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.89 84.36 1.71 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 121.418 0.627 . . . . 73.329999999999998 110.25 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.526 ' HB1' ' HG2' ' B' ' 21' ' ' GLU . . . -129.57 131.56 46.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.649 0.78 . . . . 63.030000000000001 111.023 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -111.71 41.76 1.85 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.013 0.925 . . . . 73.409999999999997 110.308 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.526 ' HG2' ' HB1' ' B' ' 19' ' ' ALA . 6.4 mm-40 -82.44 147.01 55.2 Favored Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 114.885 -1.052 . . . . 74.140000000000001 110.145 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.06 123.33 12.68 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.731 2.287 . . . . 71.310000000000002 112.477 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.36 80.94 2.44 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.687 0.756 . . . . 74.319999999999993 111.72 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 61.1 p -160.49 -65.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.486 -1.301 . . . . 71.319999999999993 107.486 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.09 120.11 29.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.428 1.091 . . . . 74.230000000000004 108.206 165.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.61 -44.17 14.85 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.82 -0.807 . . . . 75.319999999999993 108.82 177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.661 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 61.08 46.87 7.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.217 1.007 . . . . 73.140000000000001 112.694 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.09 -41.44 71.57 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.039 0.936 . . . . 71.299999999999997 111.564 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ttm -66.24 -41.39 90.09 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.666 1.186 . . . . 63.130000000000003 112.282 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 37.0 t-20 -70.78 -29.06 65.16 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.251 0.62 . . . . 61.210000000000001 111.257 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.3 -40.04 89.11 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.615 0.721 . . . . 71.340000000000003 110.509 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 59' ' ' ILE . 75.5 m -69.22 -46.23 67.9 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.867 -1.06 . . . . 64.019999999999996 111.735 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.59 -30.74 70.01 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.786 0.835 . . . . 71.349999999999994 112.365 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.526 ' HA ' ' HE ' ' B' ' 37' ' ' ARG . 23.2 t -62.65 -52.83 61.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.914 0.486 . . . . 74.049999999999997 110.572 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.35 -31.41 72.56 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.868 0.692 . . . . 63.109999999999999 112.868 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 40' ' ' VAL . 73.1 mt -58.38 -52.59 64.98 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 110.172 -0.307 . . . . 41.43 110.172 172.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.526 ' HE ' ' HA ' ' B' ' 34' ' ' SER . 75.8 mtm180 -59.28 -27.23 65.65 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.895 0.878 . . . . 74.219999999999999 112.837 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -86.33 -32.55 20.95 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.489 0.716 . . . . 71.340000000000003 111.208 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.4 mt -87.26 -17.79 31.72 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.855 0.862 . . . . 54.039999999999999 112.286 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' B' ' 57' ' ' ARG . 58.1 t -93.39 106.64 21.31 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 123.275 0.63 . . . . 73.400000000000006 110.399 174.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.25 -10.48 16.3 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.822 2.348 . . . . 75.310000000000002 113.182 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.51 25.28 4.52 Favored Glycine 0 CA--C 1.54 1.627 0 N-CA-C 115.114 0.806 . . . . 71.400000000000006 115.114 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -88.03 120.54 70.74 Favored Pre-proline 0 CA--C 1.561 1.389 0 C-N-CA 123.333 0.653 . . . . 72.040000000000006 110.07 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -66.56 175.01 5.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.764 2.309 . . . . 72.099999999999994 113.9 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -88.3 105.94 17.89 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.229 0.612 . . . . 74.319999999999993 111.626 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.97 48.61 5.69 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-N 116.522 -0.308 . . . . 70.400000000000006 112.752 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 36.2 m -104.89 135.3 46.49 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.438 0.695 . . . . 73.439999999999998 111.874 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -102.19 91.82 4.47 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.728 0.811 . . . . 64.329999999999998 110.57 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.31 122.34 41.36 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.955 0.502 . . . . 65.439999999999998 111.204 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -73.42 172.84 10.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.355 0.662 . . . . 64.329999999999998 111.198 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -47.0 -46.43 21.7 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.784 1.234 . . . . 75.049999999999997 112.933 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.631 HG22 ' HG2' ' A' ' 29' ' ' MET . 3.4 t -71.63 -40.97 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 CA-C-N 115.278 -0.874 . . . . 63.130000000000003 110.481 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.17 -26.59 66.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.731 0.812 . . . . 70.209999999999994 112.603 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.422 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.3 mt -67.14 -44.89 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 122.798 0.439 . . . . 71.140000000000001 110.155 172.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.504 HD22 HD11 ' A' ' 36' ' ' LEU . 93.0 mt -56.73 -48.06 78.61 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.176 0.591 . . . . 75.019999999999996 111.019 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.437 HE21 HG12 ' B' ' 52' ' ' VAL . 75.1 mt-30 -57.44 -44.5 84.78 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.217 1.007 . . . . 75.120000000000005 111.368 176.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.693 ' HG3' HG11 ' B' ' 40' ' ' VAL . 5.3 tpm_? -58.94 -38.18 78.41 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.663 1.185 . . . . 71.420000000000002 111.888 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 54' ' ' ILE . 85.0 t -71.81 -39.83 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.803 0.841 . . . . 70.430000000000007 111.246 177.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 55' ' ' LEU . 71.5 mt -62.32 -45.31 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.563 0.345 . . . . 71.329999999999998 110.247 175.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -56.89 -43.61 81.5 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.667 0.787 . . . . 55.119999999999997 111.61 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.565 ' HB2' HG13 ' B' ' 40' ' ' VAL . 39.1 t80 -57.23 -51.78 67.98 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.044 0.938 . . . . 74.329999999999998 111.99 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 69.1 mt -65.47 -46.71 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.554 0.342 . . . . 55.329999999999998 110.491 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.8 -30.22 71.31 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.307 0.643 . . . . 64.040000000000006 112.161 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.58 -34.48 78.36 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.138 0.975 . . . . 75.129999999999995 110.782 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.78 -39.99 56.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.652 0.781 . . . . 62.130000000000003 111.291 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 68.8 mm-40 -72.7 138.22 46.46 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.225 0.61 . . . . 62.43 112.189 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.79 141.75 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 C-N-CA 123.283 0.633 . . . . 73.310000000000002 110.117 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 CA--C 1.563 1.476 0 C-N-CA 123.684 0.794 . . . . 62.020000000000003 109.973 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.211 0.053 . . . . 70.099999999999994 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.69 30.33 7.89 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 112.461 -0.256 . . . . 73.129999999999995 112.461 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -87.53 70.41 9.83 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.596 0.758 . . . . 75.140000000000001 111.373 -174.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -98.85 53.76 1.0 Allowed 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.944 0.878 . . . . 53.539999999999999 111.033 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -100.76 111.06 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 115.362 -0.836 . . . . 74.129999999999995 111.146 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -76.24 135.16 39.67 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 123.705 0.802 . . . . 73.219999999999999 111.097 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -171.15 155.45 4.38 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.096 0.558 . . . . 64.420000000000002 111.526 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -158.86 147.12 18.17 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.421 1.088 . . . . 65.519999999999996 109.891 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -130.59 150.28 51.86 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.322 0.649 . . . . 61.210000000000001 111.791 -177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -142.82 -54.73 0.41 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.119 0.967 . . . . 63.43 109.927 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.6 mmt 64.36 -76.06 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 125.547 1.539 . . . . 74.129999999999995 112.205 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.58 107.24 0.45 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 112.608 -0.197 . . . . 72.030000000000001 112.608 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.96 -85.71 0.12 Allowed Glycine 0 C--N 1.342 0.907 0 N-CA-C 111.985 -0.446 . . . . 45.240000000000002 111.985 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.789 ' HA2' ' HB ' ' B' ' 43' ' ' VAL . . . 67.08 -149.19 51.02 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 120.068 -0.296 . . . . 62.539999999999999 113.603 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp 68.19 129.15 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.329 1.452 . . . . 61.439999999999998 113.212 172.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -159.55 -173.06 27.52 Favored Glycine 0 CA--C 1.541 1.698 0 O-C-N 121.971 -0.456 . . . . 44.299999999999997 113.783 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -86.82 -150.45 0.04 OUTLIER 'Trans proline' 0 CA--C 1.56 1.814 0 C-N-CA 123.627 2.885 . . . . 73.430000000000007 113.048 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.33 -58.89 2.74 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.257 0.623 . . . . 74.120000000000005 110.408 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.649 ' HB3' HH22 ' B' ' 37' ' ' ARG . . . 57.36 92.78 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.668 1.587 . . . . 74.200000000000003 113.812 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -89.0 174.13 8.08 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.79 -1.095 . . . . 73.129999999999995 110.767 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.36 160.26 16.12 Favored Pre-proline 0 N--CA 1.489 1.522 0 C-N-CA 122.527 0.331 . . . . 73.430000000000007 111.842 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.48 112.26 3.16 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.604 2.203 . . . . 74.230000000000004 112.192 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD22 ' SD ' ' A' ' 29' ' ' MET . 69.5 mt -86.1 -2.17 58.08 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.687 0.795 . . . . 62.420000000000002 112.222 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.3 m -78.93 75.06 5.44 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.86 0.864 . . . . 62.119999999999997 112.126 -176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.5 mt -134.58 -72.85 0.48 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.379 1.072 . . . . 70.430000000000007 109.251 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -153.66 -174.81 5.09 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.057 1.343 . . . . 63.32 107.495 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 1.3 m-20 -72.94 43.68 0.12 Allowed 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.925 0.89 . . . . 74.409999999999997 113.15 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.45 -39.09 86.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.713 0.805 . . . . 72.400000000000006 111.763 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' B' ' 52' ' ' VAL . 29.1 mtp -64.76 -43.29 93.78 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.332 -0.395 . . . . 64.140000000000001 111.243 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' HB3' ' HB3' ' A' ' 27' ' ' ASP . 27.6 t-20 -67.57 -30.29 69.87 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.54 0.736 . . . . 74.150000000000006 111.314 -177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.37 -40.02 81.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.518 0.727 . . . . 62.520000000000003 110.574 173.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.2 m -68.12 -39.39 82.76 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.113 -0.494 . . . . 73.400000000000006 111.101 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.71 -38.49 73.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.05 0.94 . . . . 73.530000000000001 112.357 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.0 p -64.29 -40.73 96.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.981 0.513 . . . . 71.129999999999995 110.123 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' HD13 ' B' ' 59' ' ' ILE . 64.8 ttt180 -64.83 -40.29 94.94 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.385 -0.825 . . . . 65.540000000000006 111.739 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.3 mt -61.55 -42.8 99.36 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.874 0.47 . . . . 73.239999999999995 111.41 174.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HE ' HD11 ' A' ' 54' ' ' ILE . 92.9 mtt180 -55.4 -28.36 53.61 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.541 0.736 . . . . 73.049999999999997 112.017 175.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.96 -32.59 20.02 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.959 0.903 . . . . 71.109999999999999 110.583 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD22 HE22 ' B' ' 66' ' ' GLN . 82.1 mt -85.71 -9.41 57.21 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.592 0.757 . . . . 65.150000000000006 112.966 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 36' ' ' LEU . 42.0 t -102.27 101.53 19.92 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 123.047 0.539 . . . . 73.200000000000003 110.348 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.81 -31.36 25.34 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.402 2.734 . . . . 72.150000000000006 113.729 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.96 66.3 3.8 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 121.37 0.428 . . . . 53.32 113.677 -175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -132.67 130.87 21.84 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.348 1.059 . . . . 72.099999999999994 109.924 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.8 118.54 5.52 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.443 2.096 . . . . 74.239999999999995 110.828 167.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -71.41 105.43 3.54 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.131 0.573 . . . . 73.129999999999995 110.804 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.74 35.68 1.83 Allowed Glycine 0 N--CA 1.477 1.429 0 CA-C-N 116.514 -0.312 . . . . 75.430000000000007 113.455 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 48' ' ' GLN . 20.7 m -104.73 -129.48 0.26 Allowed 'General case' 0 CA--C 1.569 1.696 0 C-N-CA 123.427 0.691 . . . . 75.150000000000006 109.164 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.418 ' H ' HG22 ' A' ' 47' ' ' THR . 96.8 mt-30 -130.43 -78.8 0.54 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 120.066 1.303 . . . . 75.310000000000002 110.561 -174.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 53' ' ' GLU . 18.2 mt 51.7 67.39 0.97 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.217 1.007 . . . . 73.239999999999995 112.268 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -78.11 -68.07 0.67 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.155 -0.475 . . . . 64.230000000000004 111.44 -176.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -127.28 -78.51 0.58 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.108 0.563 . . . . 55.240000000000002 111.083 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.4 t -73.86 -34.06 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 123.817 0.847 . . . . 72.349999999999994 111.82 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 49' ' ' LEU . 27.3 mt-10 -52.0 -37.96 55.09 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.503 1.121 . . . . 74.510000000000005 111.884 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.509 HD11 ' HE ' ' A' ' 37' ' ' ARG . 79.9 mt -62.94 -55.14 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 123.749 0.82 . . . . 73.319999999999993 110.519 173.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.9 -48.46 51.59 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.124 0.97 . . . . 75.420000000000002 112.719 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.7 -44.08 93.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.959 0.904 . . . . 72.140000000000001 112.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -74.5 -24.9 59.07 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.889 0.7 . . . . 73.450000000000003 112.889 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' B' ' 58' ' ' VAL . 77.2 t -70.96 -43.07 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.571 0.348 . . . . 62.329999999999998 110.464 175.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.93 -48.02 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.163 0.585 . . . . 70.409999999999997 110.271 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.21 -37.6 75.13 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.184 0.994 . . . . 74.439999999999998 112.019 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -63.01 -52.75 61.73 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.273 1.029 . . . . 74.140000000000001 111.359 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.56 -43.43 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 C-N-CA 123.016 0.526 . . . . 74.540000000000006 111.342 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.64 -35.81 77.12 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.673 0.789 . . . . 63.200000000000003 112.51 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.04 -35.83 82.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.757 0.423 . . . . 65.200000000000003 111.06 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.11 -40.54 62.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.446 0.699 . . . . 73.540000000000006 111.506 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.04 177.64 8.79 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.192 0.997 . . . . 61.149999999999999 111.751 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.8 t -95.6 115.21 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 122.864 0.466 . . . . 61.119999999999997 110.808 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 CA--C 1.565 1.54 0 C-N-CA 123.861 0.865 . . . . 72.409999999999997 110.545 177.521 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 mmt . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 111.81 0.3 . . . . 62.039999999999999 111.81 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.27 -101.6 1.16 Allowed Glycine 0 CA--C 1.536 1.387 0 N-CA-C 112.407 -0.277 . . . . 74.219999999999999 112.407 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -170.48 -47.39 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.942 0.897 . . . . 75.109999999999999 109.511 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.54 -177.26 3.87 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.822 0.849 . . . . 65.230000000000004 112.102 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -90.26 29.58 1.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.388 1.075 . . . . 74.129999999999995 111.231 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -72.22 172.08 10.88 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.109 0.963 . . . . 74.340000000000003 112.983 -173.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -88.79 21.11 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.685 0.994 . . . . 72.25 113.685 -161.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.94 73.1 7.97 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.5 0.72 . . . . 72.099999999999994 112.036 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 m -92.99 121.26 34.14 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.705 0.802 . . . . 73.420000000000002 110.624 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -133.23 159.23 40.8 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.62 0.768 . . . . 73.340000000000003 111.502 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 17.6 mmt -96.58 101.5 13.12 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.716 0.806 . . . . 64.420000000000002 109.752 172.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.71 -144.57 4.06 Favored Glycine 0 N--CA 1.481 1.642 0 N-CA-C 113.733 0.253 . . . . 42.240000000000002 113.733 -176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.15 -103.61 1.19 Allowed Glycine 0 CA--C 1.537 1.44 0 C-N-CA 122.896 0.284 . . . . 64.510000000000005 113.037 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.64 119.41 0.51 Allowed Glycine 0 CA--C 1.537 1.43 0 N-CA-C 112.724 -0.15 . . . . 64.200000000000003 112.724 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -115.59 -27.44 7.12 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.62 0.768 . . . . 75.230000000000004 111.938 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.39 77.18 0.88 Allowed Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.388 -0.673 . . . . 63.049999999999997 113.128 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.95 89.06 0.18 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.194 2.596 . . . . 73.0 113.734 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.87 162.75 13.1 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.065 0.946 . . . . 63.509999999999998 111.336 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.61 174.28 12.3 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.332 0.653 . . . . 24.239999999999998 112.088 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.15 111.9 1.51 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.897 0.879 . . . . 74.019999999999996 111.216 176.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -126.44 144.1 48.33 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 123.613 0.765 . . . . 72.430000000000007 111.801 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.96 119.14 6.1 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.223 2.616 . . . . 71.519999999999996 113.091 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.16 -17.43 63.82 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 113.244 0.831 . . . . 72.310000000000002 113.244 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.9 m -70.09 86.68 0.56 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.107 0.563 . . . . 72.299999999999997 110.748 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -92.18 154.63 18.55 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.334 0.654 . . . . 74.140000000000001 112.288 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.81 16.17 16.31 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.8 0.84 . . . . 54.25 109.756 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 7.9 m-20 56.49 32.19 20.29 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.356 1.062 . . . . 73.239999999999995 112.334 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -58.15 -39.26 78.32 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 122.964 0.506 . . . . 73.230000000000004 111.563 -174.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.547 ' HG2' HG22 ' A' ' 52' ' ' VAL . 60.1 mtp -67.29 -39.84 86.01 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.9 0.48 . . . . 60.439999999999998 111.294 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 54.4 t-20 -62.19 -48.68 78.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 124.463 1.105 . . . . 73.430000000000007 110.985 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -61.03 -37.99 84.54 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.161 0.584 . . . . 32.100000000000001 111.563 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.31 -43.83 89.79 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 115.728 -0.669 . . . . 65.430000000000007 111.904 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . 0.411 ' O ' ' HG3' ' B' ' 37' ' ' ARG . 12.2 m-85 -66.54 -37.06 84.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.377 0.671 . . . . 74.349999999999994 111.923 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -61.75 -42.82 99.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.47 0.708 . . . . 62.149999999999999 110.808 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' B' ' 39' ' ' LEU . 52.4 mtp85 -68.17 -38.24 81.87 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.672 0.789 . . . . 74.400000000000006 112.734 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.498 ' O ' HG23 ' B' ' 40' ' ' VAL . 86.7 mt -58.12 -47.28 83.75 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.59 0.356 . . . . 41.329999999999998 111.055 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.649 HH22 ' HB3' ' A' ' 19' ' ' ALA . 86.5 mtt-85 -55.97 -31.48 63.04 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.54 0.736 . . . . 72.140000000000001 112.655 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.3 -39.91 38.35 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.376 0.671 . . . . 72.540000000000006 110.85 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 35' ' ' ARG . 73.7 mt -79.93 -23.62 41.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 115.64 -0.709 . . . . 63.039999999999999 112.832 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 19.4 t -97.26 107.32 37.67 Favored Pre-proline 0 N--CA 1.484 1.239 0 C-N-CA 122.877 0.471 . . . . 72.430000000000007 110.807 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.92 -7.43 18.31 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 123.063 2.508 . . . . 71.439999999999998 112.689 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -14.69 64.85 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 115.201 0.841 . . . . 74.230000000000004 115.201 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.789 ' HB ' ' HA2' ' A' ' 14' ' ' GLY . 50.2 t -75.58 116.99 60.11 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.791 0.795 . . . . 54.25 110.42 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.85 119.24 6.29 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.409 2.072 . . . . 61.409999999999997 111.95 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -55.32 104.49 0.13 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 123.572 0.749 . . . . 74.450000000000003 111.438 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.82 -34.91 1.65 Allowed Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 34.009999999999998 111.987 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -84.52 144.24 28.82 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.572 0.349 . . . . 70.310000000000002 110.63 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.55 -57.84 2.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.546 0.339 . . . . 64.340000000000003 111.062 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt 67.79 132.13 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 124.941 1.297 . . . . 75.099999999999994 111.921 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 33.7 p -100.5 -175.03 2.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.964 -0.46 . . . . 63.310000000000002 111.855 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -44.29 -52.4 7.58 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.786 1.773 . . . . 75.329999999999998 115.786 -162.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 29' ' ' MET . 10.7 t -72.3 -37.93 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 111.95 0.352 . . . . 74.310000000000002 111.95 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.37 -31.02 71.92 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.165 0.586 . . . . 74.409999999999997 111.793 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.526 HD11 ' NH2' ' B' ' 37' ' ' ARG . 92.0 mt -58.95 -52.38 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.192 0.597 . . . . 74.25 109.89 170.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.17 -46.77 82.5 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.36 0.664 . . . . 72.439999999999998 111.939 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.533 HE21 HG12 ' B' ' 52' ' ' VAL . 77.0 mt-30 -59.76 -40.07 86.94 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.889 0.876 . . . . 53.32 112.104 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.47 -37.83 77.47 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.751 0.82 . . . . 74.239999999999995 111.383 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.424 HG11 HG11 ' A' ' 58' ' ' VAL . 82.5 t -66.47 -45.7 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.541 0.736 . . . . 75.120000000000005 111.089 176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 89.1 mt -55.15 -49.49 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.046 0.538 . . . . 75.219999999999999 110.295 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.87 -39.5 85.46 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.587 0.755 . . . . 53.310000000000002 112.216 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -57.26 -45.9 83.56 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.843 0.857 . . . . 75.340000000000003 111.069 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 39' ' ' LEU . 55.4 mt -70.71 -37.85 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 123.13 0.572 . . . . 65.319999999999993 111.262 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 87.3 mt -63.27 -35.28 79.84 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.414 0.686 . . . . 74.329999999999998 111.62 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.31 -41.96 98.97 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.161 0.584 . . . . 65.349999999999994 110.962 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -68.11 -33.53 74.68 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.218 0.607 . . . . 63.130000000000003 112.143 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.52 HE22 HD22 ' A' ' 39' ' ' LEU . 46.0 mt-30 -82.04 -60.97 2.04 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 112.932 0.716 . . . . 65.109999999999999 112.932 -176.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -87.87 10.55 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 122.517 1.151 . . . . 70.150000000000006 112.994 -165.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 CA--C 1.565 1.545 0 C-N-CA 124.331 1.052 . . . . 54.0 109.265 172.085 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 109.341 -0.615 . . . . 74.530000000000001 109.341 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.78 -82.31 0.28 Allowed Glycine 0 C--N 1.349 1.289 0 O-C-N 123.357 0.411 . . . . 71.430000000000007 112.659 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -166.89 170.8 11.87 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.994 0.518 . . . . 75.239999999999995 111.621 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -125.53 17.26 8.19 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.457 1.103 . . . . 73.140000000000001 110.311 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -87.73 32.47 0.73 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.807 0.843 . . . . 74.010000000000005 111.414 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -69.44 -47.68 63.29 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.717 0.807 . . . . 73.310000000000002 111.024 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -110.94 146.13 37.13 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.703 1.201 . . . . 55.439999999999998 110.601 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -135.16 102.32 5.15 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.364 0.666 . . . . 72.340000000000003 110.796 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.0 p -93.64 154.65 17.72 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.293 0.637 . . . . 54.5 110.857 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -89.0 97.39 11.17 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.6 0.36 . . . . 75.439999999999998 110.212 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ttt -82.08 126.16 31.69 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.596 0.358 . . . . 63.130000000000003 110.207 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.64 157.31 16.6 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 116.519 -0.309 . . . . 63.109999999999999 113.149 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.98 165.08 20.58 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 112.321 -0.312 . . . . 75.420000000000002 112.321 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.37 -119.61 4.54 Favored Glycine 0 N--CA 1.469 0.89 0 N-CA-C 112.106 -0.398 . . . . 72.140000000000001 112.106 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' H ' ' HA ' ' B' ' 45' ' ' ARG . 21.2 ptmt -153.9 125.98 7.86 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.486 0.715 . . . . 62.420000000000002 110.154 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.73 118.44 5.48 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-O 118.966 -0.908 . . . . 42.340000000000003 112.676 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.53 -176.14 3.1 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.991 2.461 . . . . 73.439999999999998 113.237 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 140.22 42.83 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.172 0.589 . . . . 64.420000000000002 111.011 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.87 154.02 18.69 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.729 0.812 . . . . 64.340000000000003 112.648 -174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.59 65.8 5.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 122.667 1.222 . . . . 73.230000000000004 109.511 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.91 147.81 97.86 Favored Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 114.077 -1.419 . . . . 74.019999999999996 112.782 -169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.78 147.44 50.38 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.551 2.168 . . . . 63.43 111.111 168.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.5 60.52 5.7 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 121.734 0.778 . . . . 74.5 111.595 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.2 p -85.63 86.02 7.39 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.763 0.825 . . . . 71.129999999999995 110.309 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -77.34 103.32 7.21 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.702 -0.681 . . . . 73.409999999999997 111.709 -176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 27' ' ' ASP . 6.2 tt -145.19 151.29 38.2 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.153 -1.054 . . . . 72.409999999999997 108.153 174.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' HD23 ' A' ' 26' ' ' LEU . 7.5 p-10 -77.6 32.11 0.16 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 114.041 1.126 . . . . 74.310000000000002 114.041 -172.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.48 -33.1 63.39 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.037 0.935 . . . . 61.229999999999997 111.893 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.572 ' HG2' HG22 ' B' ' 52' ' ' VAL . 25.3 mtp -60.68 -37.41 81.5 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.647 0.779 . . . . 63.43 111.606 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.82 -41.86 95.43 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.037 0.935 . . . . 54.439999999999998 111.296 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -67.5 -37.23 82.53 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.495 0.718 . . . . 63.020000000000003 111.104 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.62 -50.22 70.21 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.192 0.597 . . . . 53.210000000000001 110.957 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -62.43 -36.61 82.93 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.2 1.0 . . . . 72.239999999999995 112.749 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 t -60.92 -48.21 82.86 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.013 0.525 . . . . 61.25 111.307 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.427 HH21 HG21 ' B' ' 59' ' ' ILE . 30.2 ttp180 -74.93 -24.75 58.54 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.979 0.511 . . . . 72.349999999999994 112.192 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 40' ' ' VAL . 82.0 mt -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 120.747 0.308 . . . . 71.140000000000001 110.334 169.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -59.33 -18.59 39.37 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 123.965 0.906 . . . . 74.510000000000005 112.886 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.22 -29.13 14.2 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.993 0.917 . . . . 72.209999999999994 111.428 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 82.2 mt -83.3 -27.1 30.03 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.903 0.881 . . . . 71.150000000000006 112.608 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.44 HG11 ' HB3' ' A' ' 57' ' ' ARG . 44.6 t -87.8 109.4 26.76 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.308 0.643 . . . . 73.150000000000006 109.733 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.05 -24.62 52.23 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.927 2.418 . . . . 73.329999999999998 113.354 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.65 44.75 3.4 Favored Glycine 0 CA--C 1.537 1.454 0 N-CA-C 114.528 0.571 . . . . 62.109999999999999 114.528 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -96.02 110.36 51.49 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 123.289 0.635 . . . . 75.019999999999996 109.423 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.09 130.83 26.75 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.534 2.156 . . . . 73.230000000000004 111.968 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -60.79 131.4 50.58 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.285 0.634 . . . . 72.109999999999999 112.067 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.42 -3.27 63.52 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.104 0.802 . . . . 74.310000000000002 115.104 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.2 m -90.5 109.65 20.79 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 117.823 0.811 . . . . 65.319999999999993 110.541 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.46 104.82 2.86 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 121.533 0.682 . . . . 72.0 110.895 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.61 114.76 19.73 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.772 -0.649 . . . . 75.540000000000006 110.82 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.492 ' HB2' ' HG2' ' A' ' 53' ' ' GLU . 19.7 m -66.11 165.35 13.73 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.459 0.704 . . . . 62.149999999999999 110.784 172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -38.16 69.08 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.296 0.638 . . . . 73.299999999999997 112.354 -176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.545 HG12 HE21 ' A' ' 56' ' ' GLN . 17.5 t -72.34 -38.74 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.125 0.57 . . . . 61.009999999999998 111.123 176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 50' ' ' SER . 23.9 mm-40 -65.85 -34.85 79.1 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.358 0.663 . . . . 74.019999999999996 111.92 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.34 -44.44 99.2 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 C-N-CA 123.304 0.642 . . . . 73.329999999999998 110.273 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD22 HD11 ' B' ' 36' ' ' LEU . 89.3 mt -56.34 -48.18 77.29 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.265 0.626 . . . . 74.549999999999997 111.202 174.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.545 HE21 HG12 ' A' ' 52' ' ' VAL . 76.6 mt-30 -60.07 -38.4 82.75 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.105 0.962 . . . . 65.319999999999993 112.561 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HB3' HG11 ' A' ' 40' ' ' VAL . 3.3 mmp_? -67.77 -38.42 83.4 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.491 0.716 . . . . 75.319999999999993 111.779 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' B' ' 58' ' ' VAL . 75.0 t -69.2 -45.02 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 123.407 0.683 . . . . 74.310000000000002 111.508 176.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.51 -48.73 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 123.296 0.639 . . . . 74.319999999999993 110.65 177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.99 -31.87 72.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.244 0.617 . . . . 71.319999999999993 111.567 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.0 -48.82 77.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.582 0.753 . . . . 55.310000000000002 110.979 173.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' B' ' 39' ' ' LEU . 57.6 mt -71.72 -44.9 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.482 0.713 . . . . 74.219999999999999 111.117 -178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.59 -29.53 70.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.888 0.875 . . . . 72.329999999999998 112.423 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.25 -42.23 96.59 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.547 0.739 . . . . 61.240000000000002 110.783 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.48 -33.41 64.82 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.748 0.819 . . . . 74.230000000000004 111.733 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -79.12 144.14 34.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.502 0.721 . . . . 64.109999999999999 110.918 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -95.22 113.57 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.159 0.584 . . . . 74.019999999999996 110.228 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.577 2.005 0 C-N-CA 125.029 1.332 . . . . 37.359999999999999 112.316 178.814 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 110.639 -0.134 . . . . 51.310000000000002 110.639 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.96 151.01 38.37 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 123.264 0.353 . . . . 62.030000000000001 113.118 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -78.61 118.01 20.32 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.209 0.604 . . . . 75.310000000000002 110.781 -177.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.59 117.71 10.68 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.259 1.024 . . . . 74.230000000000004 112.598 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -95.19 -29.09 14.72 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.269 0.627 . . . . 73.150000000000006 109.592 168.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -94.07 159.61 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.314 1.046 . . . . 75.209999999999994 110.751 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -154.57 142.88 20.47 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.349 0.66 . . . . 61.200000000000003 110.343 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -154.18 145.86 23.3 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.74 0.816 . . . . 70.140000000000001 110.026 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -137.65 153.41 49.85 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.565 0.746 . . . . 73.010000000000005 110.778 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.94 135.53 41.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.867 0.867 . . . . 71.030000000000001 110.656 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 97.0 mmm -78.34 152.21 32.48 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.372 0.669 . . . . 71.129999999999995 112.361 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.25 128.3 9.79 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 115.958 -0.564 . . . . 62.229999999999997 112.261 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.43 144.14 7.56 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 117.479 0.64 . . . . 64.430000000000007 113.101 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.18 178.83 31.62 Favored Glycine 0 N--CA 1.476 1.347 0 C-N-CA 123.409 0.528 . . . . 62.32 112.503 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -63.15 1.29 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 117.237 0.518 . . . . 63.310000000000002 111.747 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.96 -155.85 14.49 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-O 119.86 -0.411 . . . . 62.310000000000002 113.842 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.87 169.41 13.26 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 123.193 2.595 . . . . 64.439999999999998 112.736 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.81 173.65 7.49 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.192 0.597 . . . . 64.409999999999997 111.801 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.41 120.2 24.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.451 0.7 . . . . 31.23 111.352 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -105.9 112.99 26.27 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.798 0.839 . . . . 64.530000000000001 110.347 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 142.06 85.47 Favored Pre-proline 0 N--CA 1.489 1.525 0 C-N-CA 123.361 0.664 . . . . 53.350000000000001 111.416 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.38 154.23 42.56 Favored 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 123.099 2.533 . . . . 74.5 114.546 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt 67.1 6.53 4.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 125.524 1.53 . . . . 63.229999999999997 113.667 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -109.65 95.17 5.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.824 0.85 . . . . 73.040000000000006 111.696 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 27' ' ' ASP . 4.5 tt -166.88 117.21 0.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.461 0.704 . . . . 71.120000000000005 109.355 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.65 33.18 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.446 0.699 . . . . 71.430000000000007 110.219 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.402 ' H ' HD23 ' B' ' 25' ' ' LEU . 14.0 m-20 57.37 28.44 15.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.581 1.152 . . . . 74.209999999999994 113.558 172.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.12 -35.77 69.86 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.262 0.625 . . . . 74.420000000000002 111.421 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ttm -56.64 -44.94 81.76 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.967 0.907 . . . . 73.030000000000001 112.148 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -66.26 -38.16 87.2 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.08 0.552 . . . . 73.310000000000002 110.968 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.76 -33.11 73.35 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.147 0.579 . . . . 71.120000000000005 111.907 176.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 95.0 m -70.53 -41.96 71.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.308 0.643 . . . . 54.549999999999997 111.467 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -62.31 -35.19 78.29 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.672 0.789 . . . . 63.200000000000003 111.654 173.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 36.2 t -59.72 -42.75 93.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.574 0.749 . . . . 74.340000000000003 111.066 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.25 -29.11 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.052 -0.522 . . . . 73.409999999999997 112.292 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.3 mt -60.17 -45.74 92.07 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 62.240000000000002 110.123 170.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -58.24 -24.27 58.73 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.96 0.904 . . . . 71.129999999999995 113.041 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.09 -31.41 16.26 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.369 0.667 . . . . 75.439999999999998 111.403 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.476 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.0 mt -87.68 -15.48 37.06 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.848 0.859 . . . . 73.040000000000006 113.298 -175.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 36' ' ' LEU . 20.3 t -100.03 103.85 25.22 Favored Pre-proline 0 N--CA 1.489 1.494 0 C-N-CA 122.792 0.437 . . . . 74.510000000000005 110.509 176.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.01 -11.14 15.09 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.943 2.429 . . . . 73.510000000000005 112.936 173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.09 41.99 3.13 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 123.079 0.371 . . . . 43.310000000000002 113.129 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.53 110.73 52.54 Favored Pre-proline 0 CA--C 1.555 1.168 0 C-N-CA 123.976 0.91 . . . . 74.439999999999998 109.132 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.454 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 45.0 Cg_exo -59.06 155.98 36.5 Favored 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.983 2.456 . . . . 74.420000000000002 113.924 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 15' ' ' LYS . 15.2 ttm180 -65.69 125.31 24.86 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.332 0.653 . . . . 74.400000000000006 111.004 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.73 31.45 64.08 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 114.678 0.631 . . . . 71.209999999999994 114.678 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' B' ' 44' ' ' PRO . 8.8 t -70.79 -20.11 62.63 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.854 0.687 . . . . 71.420000000000002 112.854 -176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 124.402 1.081 . . . . 71.409999999999997 111.422 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' B' ' 53' ' ' GLU . 86.4 mt -123.5 161.62 24.51 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.271 1.034 . . . . 60.310000000000002 113.513 -172.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.549 ' H ' ' HB2' ' B' ' 53' ' ' GLU . 25.0 t -116.76 173.57 6.56 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.937 1.695 . . . . 62.43 109.327 170.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -53.99 -40.69 67.17 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.546 0.738 . . . . 74.340000000000003 112.016 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.585 HG12 HE21 ' B' ' 56' ' ' GLN . 18.2 t -67.0 -45.5 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.256 0.623 . . . . 60.240000000000002 110.51 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 50' ' ' SER . 19.3 mm-40 -60.89 -34.1 74.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.031 . . . . 72.420000000000002 112.091 177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.4 ' O ' HG23 ' B' ' 58' ' ' VAL . 91.2 mt -61.29 -53.15 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.101 0.561 . . . . 71.340000000000003 109.578 173.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.424 ' O ' HG13 ' B' ' 59' ' ' ILE . 95.6 mt -53.85 -41.1 67.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.623 0.769 . . . . 72.530000000000001 111.857 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.585 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -63.33 -52.04 63.5 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.61 0.764 . . . . 75.120000000000005 111.601 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -30.75 69.55 Favored 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 123.341 0.656 . . . . 43.140000000000001 111.757 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.507 HG11 HG11 ' A' ' 58' ' ' VAL . 56.0 t -65.99 -48.18 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.485 0.714 . . . . 63.240000000000002 110.678 173.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.427 HG21 HH21 ' A' ' 35' ' ' ARG . 86.8 mt -57.47 -47.79 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.972 0.509 . . . . 72.219999999999999 110.38 176.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -56.14 -44.4 79.2 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.018 0.927 . . . . 72.530000000000001 111.983 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -59.2 -48.49 81.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.092 0.957 . . . . 75.310000000000002 111.8 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 63.1 mt -68.97 -28.51 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.317 0 C-N-CA 123.218 0.607 . . . . 52.530000000000001 111.371 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 77.9 mt -64.15 -30.38 71.44 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 112.83 0.678 . . . . 54.32 112.83 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.51 -32.43 62.5 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.265 0.626 . . . . 52.310000000000002 111.863 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.4 mt -74.18 -35.79 64.02 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.415 0.686 . . . . 74.319999999999993 111.51 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -100.18 -177.65 3.59 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.822 1.249 . . . . 75.120000000000005 110.588 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.93 103.91 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 108.533 -0.914 . . . . 71.319999999999993 108.533 167.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 CA--C 1.578 2.05 0 C-N-CA 123.843 0.857 . . . . 72.019999999999996 112.866 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.268 0.08 . . . . 75.200000000000003 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.36 -0.49 89.65 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 114.366 0.506 . . . . 63.409999999999997 114.366 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -91.43 134.55 34.53 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.546 0.738 . . . . 72.200000000000003 110.775 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -77.09 -37.63 54.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.028 0.931 . . . . 73.420000000000002 112.517 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.16 35.67 18.42 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.538 1.135 . . . . 74.329999999999998 113.041 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.55 34.98 0.44 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 123.844 0.858 . . . . 71.030000000000001 113.126 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.87 138.39 31.59 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.511 0.724 . . . . 73.219999999999999 110.583 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -144.46 126.53 15.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.02 0.928 . . . . 75.530000000000001 110.139 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.3 m -144.97 176.88 9.16 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.506 0.723 . . . . 52.310000000000002 110.576 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -114.74 118.85 34.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.043 0.537 . . . . 74.519999999999996 110.452 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 ptp -86.22 171.32 11.37 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 122.764 0.426 . . . . 73.099999999999994 110.811 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.26 163.02 36.26 Favored Glycine 0 N--CA 1.472 1.078 0 CA-C-N 116.619 -0.264 . . . . 52.140000000000001 112.913 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.6 127.63 5.6 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 116.637 0.219 . . . . 75.120000000000005 112.8 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.72 92.24 0.77 Allowed Glycine 0 N--CA 1.473 1.16 0 N-CA-C 112.057 -0.417 . . . . 72.319999999999993 112.057 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -79.07 139.43 38.11 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 112.489 0.552 . . . . 72.109999999999999 112.489 -176.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.76 90.29 0.57 Allowed Glycine 0 CA--C 1.535 1.316 0 N-CA-C 110.515 -1.034 . . . . 51.149999999999999 110.515 169.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.27 161.01 39.5 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 122.851 2.368 . . . . 73.450000000000003 113.785 -173.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.33 120.33 16.74 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.595 0.758 . . . . 75.5 111.202 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.28 98.27 1.36 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.069 0.548 . . . . 74.349999999999994 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 69.22 93.86 0.08 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 125.416 1.486 . . . . 72.329999999999998 110.667 -175.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.33 140.03 91.73 Favored Pre-proline 0 N--CA 1.493 1.688 0 C-N-CA 123.425 0.69 . . . . 74.150000000000006 112.413 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD3' ' HE1' ' B' ' 5' ' ' HIS . 65.3 Cg_endo -82.24 173.99 10.34 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.788 2.325 . . . . 75.349999999999994 114.316 -170.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.05 150.53 23.14 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.646 0.778 . . . . 63.25 111.264 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.5 p -147.14 -59.2 0.28 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.222 1.009 . . . . 64.230000000000004 110.262 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -117.47 -78.74 0.58 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.833 0.853 . . . . 71.200000000000003 108.98 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 mt -131.45 -28.56 1.85 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.211 1.004 . . . . 64.340000000000003 110.026 169.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.75 91.44 0.06 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 125.078 1.351 . . . . 72.400000000000006 110.088 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.46 -38.64 71.96 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.795 1.238 . . . . 75.239999999999995 112.812 -170.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' HG22 ' B' ' 52' ' ' VAL . 4.7 ttm -64.82 -46.92 79.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.361 0.665 . . . . 71.450000000000003 111.805 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -63.45 -34.6 78.11 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 123.716 0.806 . . . . 73.209999999999994 111.037 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -69.23 -36.77 77.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.049 0.939 . . . . 74.340000000000003 110.974 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.18 -39.0 82.65 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.918 -0.583 . . . . 73.200000000000003 111.242 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' HD1' HG21 ' A' ' 54' ' ' ILE . 20.6 m-85 -62.82 -35.33 79.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.773 0.829 . . . . 72.099999999999994 111.58 174.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.4 t -60.51 -46.81 88.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.301 0.64 . . . . 72.120000000000005 110.778 173.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.13 -37.63 87.97 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.713 0.805 . . . . 71.329999999999998 112.924 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD11 HD22 ' B' ' 55' ' ' LEU . 91.9 mt -59.18 -49.03 79.41 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.903 -0.406 . . . . 74.140000000000001 109.903 175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' HE ' HD12 ' A' ' 49' ' ' LEU . 63.7 mtp180 -63.43 -18.62 63.93 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 113.406 0.891 . . . . 74.540000000000006 113.406 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' SER . 53.8 mm-40 -85.17 -43.83 13.48 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.262 0.553 . . . . 72.439999999999998 110.676 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD21 HD23 ' B' ' 63' ' ' LEU . 83.6 mt -75.38 -24.04 57.18 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.043 0.937 . . . . 75.120000000000005 112.542 -175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' HG2' ' A' ' 57' ' ' ARG . 44.0 t -93.24 105.94 17.75 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 123.373 0.669 . . . . 71.030000000000001 110.223 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -84.01 3.52 7.56 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.03 2.487 . . . . 75.340000000000003 113.141 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.17 32.98 4.18 Favored Glycine 0 C--N 1.354 1.54 0 C-N-CA 123.123 0.392 . . . . 62.329999999999998 113.962 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.15 110.91 32.29 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.715 0.806 . . . . 72.049999999999997 109.634 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -72.75 79.35 1.94 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 123.012 2.475 . . . . 73.409999999999997 114.892 -168.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? 53.35 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.411 1.484 . . . . 71.420000000000002 112.888 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -107.81 2.26 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-O 119.357 -0.691 . . . . 73.540000000000006 111.516 -173.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m 65.48 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.024 1.329 . . . . 34.399999999999999 113.065 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.41 -46.37 83.55 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.099 -0.376 . . . . 74.200000000000003 111.2 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' HE ' ' A' ' 37' ' ' ARG . 95.6 mt 64.65 112.58 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.996 1.318 . . . . 75.329999999999998 110.665 -168.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -62.1 150.8 37.39 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 110.329 -0.248 . . . . 74.209999999999994 110.329 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -56.2 -35.11 66.91 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.33 1.052 . . . . 74.209999999999994 112.159 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' B' ' 29' ' ' MET . 19.4 t -73.38 -47.0 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 123.094 0.557 . . . . 63.039999999999999 110.853 172.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -54.31 -30.26 50.54 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 124.423 1.089 . . . . 73.349999999999994 112.68 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 74.0 mt -61.42 -55.95 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 122.827 0.451 . . . . 62.219999999999999 109.939 173.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 36' ' ' LEU . 96.1 mt -56.08 -45.59 79.3 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.61 0.764 . . . . 74.239999999999995 112.207 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.83 -35.37 80.49 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.986 0.914 . . . . 64.219999999999999 111.662 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG2' HG11 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -73.54 -30.91 63.37 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.243 0.617 . . . . 54.399999999999999 111.049 176.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.2 t -70.66 -44.14 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.281 0.633 . . . . 74.120000000000005 110.52 176.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 83.7 mt -58.51 -50.18 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 C-N-CA 122.835 0.454 . . . . 65.510000000000005 109.957 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -47.28 43.95 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 124.95 1.3 . . . . 75.340000000000003 111.431 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -64.25 -42.28 96.59 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.457 1.103 . . . . 70.430000000000007 112.339 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 58' ' ' VAL . 66.8 mt -71.73 -26.94 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 122.686 0.394 . . . . 70.120000000000005 110.691 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.2 mt -67.53 -33.47 75.13 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.032 0.533 . . . . 74.140000000000001 110.747 171.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.91 -38.81 83.4 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.631 0.772 . . . . 74.319999999999993 110.861 172.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.62 -46.27 79.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.279 0.632 . . . . 74.230000000000004 111.127 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -85.15 173.49 10.39 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.387 1.075 . . . . 63.200000000000003 111.865 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.8 t -100.63 98.26 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.282 0.633 . . . . 72.019999999999996 109.551 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 CA--C 1.58 2.135 0 C-N-CA 125.314 1.446 . . . . 65.109999999999999 112.46 179.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.65 0.262 . . . . 65.239999999999995 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.07 128.17 8.35 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 116.096 -0.502 . . . . 72.340000000000003 112.284 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -67.51 -61.04 2.09 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.476 0.71 . . . . 64.349999999999994 111.231 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -155.06 161.29 41.36 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.379 0.672 . . . . 74.5 109.885 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.475 ' HE1' ' HD3' ' A' ' 22' ' ' PRO . 54.9 m80 69.28 157.76 0.16 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.212 1.405 . . . . 73.420000000000002 112.494 -176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -89.6 65.58 6.98 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.097 0.559 . . . . 73.400000000000006 110.158 177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 62.03 -82.14 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.178 1.391 . . . . 73.239999999999995 111.755 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -121.44 -27.78 4.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.089 0.955 . . . . 73.430000000000007 110.889 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t 75.72 -49.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 126.096 1.758 . . . . 75.120000000000005 112.645 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 73.51 143.42 0.07 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 126.119 1.767 . . . . 74.230000000000004 112.507 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.1 ptp -124.32 -167.23 1.62 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.307 1.043 . . . . 64.209999999999994 109.397 175.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.09 47.29 3.54 Favored Glycine 0 CA--C 1.541 1.704 0 CA-C-N 117.724 0.238 . . . . 62.329999999999998 113.178 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.51 -171.69 46.49 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 114.501 0.56 . . . . 71.010000000000005 114.501 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.98 59.3 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.51 -0.636 . . . . 63.0 111.51 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -72.49 97.0 2.01 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.695 0.798 . . . . 75.299999999999997 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.91 69.94 0.05 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 115.721 -0.672 . . . . 25.120000000000001 112.914 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -83.9 158.33 13.74 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.492 2.128 . . . . 72.109999999999999 112.347 170.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.83 -18.34 35.24 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.989 0.515 . . . . 52.409999999999997 111.215 172.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 71.99 153.82 0.13 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.257 1.423 . . . . 71.439999999999998 112.928 176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 59.98 22.85 11.95 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.911 1.284 . . . . 75.319999999999993 112.097 -173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.15 154.89 67.16 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 124.546 1.138 . . . . 54.210000000000001 111.633 -175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -65.4 162.12 35.07 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.475 2.117 . . . . 65.430000000000007 112.912 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.25 106.36 1.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.598 0.759 . . . . 74.129999999999995 112.254 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -158.97 -174.04 4.55 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.944 0.898 . . . . 73.109999999999999 109.93 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.36 152.79 23.12 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.279 0.631 . . . . 61.039999999999999 110.033 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -75.68 105.81 6.91 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.747 0.647 . . . . 74.140000000000001 112.747 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' B' ' 30' ' ' ASN . 18.8 m-20 -103.91 132.29 50.31 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.829 -1.174 . . . . 74.209999999999994 107.829 160.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.31 -35.06 67.12 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 121.669 0.747 . . . . 63.409999999999997 109.887 165.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 52' ' ' VAL . 47.5 mtp -67.14 -31.28 71.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.461 1.104 . . . . 64.040000000000006 112.02 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.432 ' HB2' ' HB2' ' B' ' 27' ' ' ASP . 8.8 t30 -63.77 -35.67 81.36 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.961 0.904 . . . . 75.109999999999999 111.352 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -64.04 -31.99 73.38 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.316 0.646 . . . . 73.129999999999995 111.454 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 61.7 m -73.82 -46.28 46.22 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.226 0.61 . . . . 74.030000000000001 111.001 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.01 -30.41 67.98 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 124.282 1.033 . . . . 72.129999999999995 112.289 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -59.15 -54.73 43.63 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.512 0.725 . . . . 54.539999999999999 110.978 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.2 -24.55 63.14 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.102 0.778 . . . . 74.140000000000001 113.102 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.529 ' O ' HG23 ' B' ' 40' ' ' VAL . 82.8 mt -60.98 -53.13 61.04 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.567 -0.531 . . . . 53.039999999999999 109.567 168.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.62 -24.28 65.38 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.582 0.753 . . . . 73.040000000000006 112.906 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -86.7 -22.57 25.98 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.873 0.469 . . . . 62.140000000000001 111.893 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.5 8.31 31.35 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.041 0.756 . . . . 73.200000000000003 113.041 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.725 HG11 ' HB3' ' B' ' 57' ' ' ARG . 36.9 t -114.43 112.12 46.33 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.799 -0.563 . . . . 75.030000000000001 111.742 175.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -83.55 -11.91 9.13 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.158 2.572 . . . . 55.520000000000003 113.962 173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.14 55.42 4.57 Favored Glycine 0 N--CA 1.481 1.659 0 C-N-CA 122.868 0.271 . . . . 60.420000000000002 113.153 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.85 140.07 32.43 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 124.366 1.066 . . . . 73.230000000000004 109.739 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.414 ' O ' HG22 ' B' ' 47' ' ' THR . 65.1 Cg_exo -53.96 150.46 30.59 Favored 'Trans proline' 0 C--N 1.385 2.496 0 C-N-CA 122.257 1.971 . . . . 74.109999999999999 112.714 167.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' B' ' 45' ' ' ARG . 5.1 mpt_? -88.03 -32.72 18.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.057 0.543 . . . . 72.400000000000006 111.118 -173.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.13 63.87 1.2 Allowed Glycine 0 CA--C 1.537 1.417 0 CA-C-N 116.347 -0.388 . . . . 71.010000000000005 112.257 172.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.414 HG22 ' O ' ' B' ' 44' ' ' PRO . 6.1 t -152.53 164.35 37.78 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.415 0.626 . . . . 45.229999999999997 111.816 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.8 -19.02 12.15 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 115.081 -0.963 . . . . 54.420000000000002 110.147 168.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.16 172.88 0.3 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 125.373 1.469 . . . . 73.439999999999998 111.918 -170.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 46.7 t -103.13 169.05 8.79 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.298 -0.864 . . . . 73.219999999999999 109.595 166.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -49.73 72.0 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.592 0.757 . . . . 75.409999999999997 112.689 -176.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' MET . 42.0 t -71.31 -33.24 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.709 0.404 . . . . 72.420000000000002 110.977 -178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.1 mm-40 -57.96 -40.53 80.8 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.36 0.664 . . . . 64.120000000000005 112.175 173.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 75.4 mt -55.62 -51.54 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 122.963 0.505 . . . . 64.340000000000003 110.975 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.561 HD22 HD11 ' A' ' 36' ' ' LEU . 65.1 mt -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.04 0.536 . . . . 75.430000000000007 111.847 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.6 -33.52 75.85 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.103 0.779 . . . . 73.299999999999997 113.103 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.725 ' HB3' HG11 ' B' ' 40' ' ' VAL . 0.5 OUTLIER -64.24 -35.56 81.22 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.201 0.455 . . . . 75.450000000000003 110.359 175.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.13 -44.23 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 123.539 0.736 . . . . 53.25 110.919 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.94 -56.84 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.756 0.822 . . . . 73.299999999999997 111.47 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.3 -31.5 72.67 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.593 0.757 . . . . 74.329999999999998 112.839 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -58.68 -54.86 42.27 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.419 0.688 . . . . 52.539999999999999 110.575 171.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.18 -43.09 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 C-N-CA 123.894 0.878 . . . . 75.519999999999996 111.758 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 HD21 ' A' ' 39' ' ' LEU . 71.6 mt -53.43 -47.34 69.71 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.021 0.928 . . . . 62.329999999999998 111.824 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.72 -31.24 72.35 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.655 -0.702 . . . . 75.409999999999997 111.677 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.63 -36.39 57.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.46 0.704 . . . . 74.239999999999995 111.74 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.63 -80.27 0.17 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.394 1.078 . . . . 65.329999999999998 111.804 -175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.5 m -122.53 130.63 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.703 0.801 . . . . 63.310000000000002 111.41 -172.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 CA--C 1.569 1.685 0 C-N-CA 123.635 0.774 . . . . 53.119999999999997 111.538 179.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.934 -0.395 . . . . 74.349999999999994 109.934 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.62 147.24 8.06 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 113.661 0.225 . . . . 44.210000000000001 113.661 177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -90.77 172.65 8.49 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.741 0.817 . . . . 74.0 110.572 173.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -148.97 110.09 4.37 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 120.986 0.422 . . . . 64.310000000000002 111.558 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -162.84 165.69 25.0 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.958 0.903 . . . . 74.299999999999997 110.41 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -151.4 97.01 2.35 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.581 0.752 . . . . 63.049999999999997 109.066 176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -124.6 133.39 53.28 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.266 0.626 . . . . 75.129999999999995 111.426 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -140.62 124.09 16.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.923 0.889 . . . . 64.439999999999998 110.078 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -141.99 115.72 9.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.862 0.865 . . . . 74.200000000000003 109.845 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -116.75 4.96 13.06 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.763 0.825 . . . . 71.299999999999997 110.751 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.4 mtt -81.31 170.57 15.87 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.904 0.882 . . . . 72.340000000000003 112.4 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.41 -85.18 0.06 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.021 -0.832 . . . . 60.210000000000001 111.021 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.28 14.52 61.96 Favored Glycine 0 N--CA 1.481 1.675 0 N-CA-C 115.358 0.903 . . . . 62.420000000000002 115.358 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.4 -146.03 19.83 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 114.091 0.397 . . . . 73.340000000000003 114.091 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -125.34 163.95 21.44 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.626 0.77 . . . . 44.100000000000001 111.121 -175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -126.06 64.42 0.57 Allowed Glycine 0 CA--C 1.543 1.841 0 CA-C-O 119.238 -0.757 . . . . 61.039999999999999 113.12 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -92.33 -169.69 0.27 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.885 2.39 . . . . 73.540000000000006 113.619 -177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' B' ' 30' ' ' ASN . . . -81.1 -53.01 6.77 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.511 -0.768 . . . . 50.109999999999999 110.976 173.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.46 176.02 0.19 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 63.350000000000001 112.608 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -132.46 173.13 11.62 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.329 0.652 . . . . 53.310000000000002 110.504 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -165.23 164.63 12.47 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 123.926 0.89 . . . . 75.239999999999995 110.645 -172.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -71.08 17.7 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 C-N-CA 122.77 2.314 . . . . 34.109999999999999 114.431 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt 67.1 -171.15 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.741 1.616 . . . . 51.200000000000003 112.618 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' A' ' 27' ' ' ASP . 69.4 m -79.12 114.1 17.79 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.7 0.8 . . . . 70.540000000000006 110.956 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.18 -54.26 7.07 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.641 0.776 . . . . 63.0 110.248 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.59 37.99 4.29 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.477 -0.935 . . . . 73.030000000000001 108.477 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.689 ' HA ' ' HB3' ' A' ' 24' ' ' SER . 71.9 m-20 53.63 49.84 18.48 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.064 0.946 . . . . 65.349999999999994 111.436 -172.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.73 -39.99 74.91 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.583 1.153 . . . . 55.549999999999997 112.916 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.504 ' HB3' HG22 ' B' ' 52' ' ' VAL . 2.4 ptp -66.12 -34.16 77.43 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.867 -0.606 . . . . 55.329999999999998 112.325 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.26 -36.0 82.78 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.373 0.669 . . . . 73.340000000000003 111.071 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -66.5 -38.49 87.35 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 122.641 0.376 . . . . 72.409999999999997 110.752 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.08 -31.43 71.05 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.553 0.741 . . . . 72.040000000000006 112.078 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -66.59 -39.46 88.42 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 124.011 0.924 . . . . 63.439999999999998 111.627 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.1 t -59.94 -45.67 91.88 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.933 0.493 . . . . 73.5 110.501 171.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HD3' HD13 ' B' ' 59' ' ' ILE . 15.5 ttt180 -64.11 -33.53 75.98 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.336 1.054 . . . . 74.239999999999995 112.393 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD11 HD22 ' B' ' 55' ' ' LEU . 86.4 mt -59.9 -56.78 17.53 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.974 0.51 . . . . 63.350000000000001 110.194 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 54' ' ' ILE . 32.6 mtp180 -57.75 -21.54 41.89 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.247 1.019 . . . . 65.129999999999995 113.342 -177.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -82.69 -29.39 29.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.756 0.822 . . . . 75.519999999999996 111.586 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.9 -8.89 24.94 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.889 0.876 . . . . 44.25 112.397 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG21 HG22 ' A' ' 58' ' ' VAL . 60.1 t -114.46 104.5 54.48 Favored Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 123.472 0.709 . . . . 65.140000000000001 110.935 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.24 -178.02 3.92 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.501 2.134 . . . . 61.240000000000002 112.606 169.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.43 89.91 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 116.257 -0.429 . . . . 64.010000000000005 113.339 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -82.36 116.15 62.04 Favored Pre-proline 0 CA--C 1.556 1.195 0 C-N-CA 123.771 0.828 . . . . 74.310000000000002 109.003 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.35 136.51 55.61 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.821 2.347 . . . . 70.209999999999994 112.435 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -67.74 114.23 6.17 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.727 0.811 . . . . 74.040000000000006 112.102 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.36 4.02 66.62 Favored Glycine 0 N--CA 1.474 1.207 0 CA-C-N 116.135 -0.484 . . . . 52.329999999999998 113.859 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.0 m -94.09 132.66 38.37 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.464 0.705 . . . . 62.130000000000003 110.53 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.28 -46.51 64.17 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.328 0.651 . . . . 65.140000000000001 111.479 -175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt 62.42 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.063 1.345 . . . . 63.409999999999997 113.03 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.1 m -67.01 151.04 48.39 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.09 -0.504 . . . . 72.530000000000001 110.548 172.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.0 -37.82 72.21 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.605 0.762 . . . . 73.409999999999997 112.867 -173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.14 -38.81 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.558 0.343 . . . . 74.310000000000002 111.094 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -36.58 77.57 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.173 0.589 . . . . 71.099999999999994 110.384 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.3 mt -63.89 -41.47 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 C-N-CA 123.068 0.547 . . . . 72.200000000000003 111.076 175.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 122.823 0.449 . . . . 74.239999999999995 111.689 173.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -68.71 -33.61 74.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.205 1.002 . . . . 73.319999999999993 111.74 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -61.27 -43.07 99.48 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.659 0.784 . . . . 72.230000000000004 110.606 170.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 40' ' ' VAL . 96.7 t -64.02 -46.02 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.465 0.706 . . . . 73.420000000000002 111.223 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.26 -48.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.41 0.684 . . . . 75.450000000000003 110.713 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.1 -36.64 82.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.271 1.028 . . . . 73.200000000000003 111.232 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.75 -45.58 92.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.056 0.942 . . . . 73.129999999999995 111.508 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' B' ' 39' ' ' LEU . 60.5 mt -67.79 -36.91 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 116.294 -0.412 . . . . 63.25 110.61 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.98 -30.36 71.34 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.354 0.662 . . . . 74.349999999999994 111.696 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.11 -32.57 72.96 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.874 0.87 . . . . 71.230000000000004 111.145 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.94 -41.12 60.25 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.621 0.768 . . . . 72.510000000000005 111.686 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 15.0 mm100 -76.24 -67.31 0.7 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.992 0.917 . . . . 75.540000000000006 111.469 -175.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.5 t -82.93 120.78 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.57 0.748 . . . . 73.409999999999997 110.95 -176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 CA--C 1.562 1.428 0 C-N-CA 123.524 0.729 . . . . 60.310000000000002 109.986 174.406 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 110.69 -0.115 . . . . 74.299999999999997 110.69 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.43 -162.24 39.75 Favored Glycine 0 CA--C 1.537 1.448 0 O-C-N 123.209 0.318 . . . . 71.439999999999998 113.734 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -158.83 118.58 3.12 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.979 0.912 . . . . 74.409999999999997 110.172 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -85.41 112.88 21.26 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.067 0.547 . . . . 75.129999999999995 109.762 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -92.28 137.48 32.33 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.114 0.566 . . . . 71.150000000000006 111.069 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -124.56 114.94 20.06 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.933 0.893 . . . . 53.210000000000001 111.013 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -87.54 151.69 22.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.634 0.774 . . . . 74.120000000000005 109.244 172.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -144.52 167.7 21.89 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.436 0.636 . . . . 63.240000000000002 112.271 -173.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -120.97 36.91 4.46 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.646 1.178 . . . . 62.43 110.369 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -85.29 153.13 22.79 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 122.912 0.485 . . . . 71.310000000000002 111.806 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.87 146.45 52.13 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.97 . . . . 74.219999999999999 110.186 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.5 54.87 5.3 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 122.833 0.254 . . . . 73.450000000000003 113.247 -175.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.51 8.19 30.33 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 114.583 0.593 . . . . 72.319999999999993 114.583 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.19 161.7 25.75 Favored Glycine 0 N--CA 1.474 1.193 0 CA-C-N 116.813 0.307 . . . . 70.140000000000001 112.897 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -75.29 -38.44 60.35 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.176 0.59 . . . . 65.109999999999999 112.115 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.69 -165.89 25.21 Favored Glycine 0 CA--C 1.54 1.6 0 CA-C-O 119.448 -0.64 . . . . 63.329999999999998 112.548 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -81.88 108.73 1.89 Allowed 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.858 2.372 . . . . 73.230000000000004 113.65 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.51 -16.28 58.8 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 122.72 0.408 . . . . 60.439999999999998 111.721 171.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.2 157.28 21.68 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.603 0.761 . . . . 43.450000000000003 111.49 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -144.9 -175.07 4.53 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 74.439999999999998 111.019 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -129.25 153.95 80.52 Favored Pre-proline 0 N--CA 1.495 1.786 0 C-N-CA 123.379 0.671 . . . . 70.120000000000005 111.755 -174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.21 -175.74 2.7 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 122.602 2.201 . . . . 52.229999999999997 113.052 170.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.04 -44.23 97.71 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.207 0.603 . . . . 73.129999999999995 112.148 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.1 m -143.97 -88.19 0.12 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.984 0.514 . . . . 73.129999999999995 109.73 175.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 73.0 mt -136.47 133.69 36.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.971 0.909 . . . . 65.329999999999998 110.09 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 tt -169.68 -60.12 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 105.789 -1.93 . . . . 65.310000000000002 105.789 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.71 72.29 0.53 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.43 -1.259 . . . . 63.119999999999997 112.068 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.43 -27.75 68.78 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.595 -1.184 . . . . 73.329999999999998 110.874 176.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -55.35 30.31 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.634 0.774 . . . . 70.340000000000003 110.608 171.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.555 ' HA ' ' HB2' ' B' ' 33' ' ' TYR . 29.1 t-20 -64.47 -27.44 68.99 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.007 0.923 . . . . 75.340000000000003 111.906 -177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.87 -54.99 30.82 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.836 0.855 . . . . 73.340000000000003 110.643 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.11 -31.6 62.86 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.303 -0.862 . . . . 74.340000000000003 112.17 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . 0.555 ' HB2' ' HA ' ' B' ' 30' ' ' ASN . 11.8 m-85 -61.3 -41.94 97.83 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.604 0.762 . . . . 73.340000000000003 112.176 176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 47.6 t -62.66 -45.62 91.99 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.147 0.579 . . . . 73.140000000000001 110.188 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -30.85 71.91 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 124.175 0.99 . . . . 71.120000000000005 111.655 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 40' ' ' VAL . 79.6 mt -63.04 -50.31 71.13 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.676 0.39 . . . . 73.540000000000006 110.142 170.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.408 HH21 HD11 ' B' ' 54' ' ' ILE . 51.3 mtt180 -55.48 -25.95 39.75 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.601 0.76 . . . . 75.129999999999995 112.59 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -76.35 -38.56 55.68 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.247 0.546 . . . . 74.430000000000007 110.454 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 62' ' ' ILE . 96.9 mt -87.44 -16.09 35.84 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.81 0.844 . . . . 74.230000000000004 113.148 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 36' ' ' LEU . 60.6 t -94.34 107.81 31.91 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 123.03 0.532 . . . . 74.349999999999994 111.217 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.47 7.57 4.7 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 123.464 2.776 . . . . 54.439999999999998 113.25 173.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.07 35.53 3.77 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 123.066 0.365 . . . . 72.200000000000003 113.162 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.69 101.98 39.38 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.521 0.729 . . . . 75.450000000000003 109.948 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.69 153.01 79.47 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 123.031 2.487 . . . . 74.530000000000001 112.629 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.32 100.33 0.06 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.499 1.119 . . . . 71.329999999999998 113.743 -171.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.19 -6.16 63.57 Favored Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.546 -0.752 . . . . 72.25 114.359 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 55.9 m -69.83 102.63 1.99 Allowed 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 117.725 0.762 . . . . 72.530000000000001 110.675 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -75.09 96.92 3.32 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.589 0.755 . . . . 64.299999999999997 110.231 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.86 133.66 44.52 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.761 -0.654 . . . . 42.009999999999998 111.195 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 59.5 p -89.93 -174.63 4.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.316 0.646 . . . . 63.32 110.377 171.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -65.8 -43.01 90.0 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.405 0.682 . . . . 71.040000000000006 112.834 -170.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 29' ' ' MET . 24.9 t -70.62 -38.32 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 122.816 0.446 . . . . 71.049999999999997 111.072 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.532 ' HA ' HE21 ' B' ' 56' ' ' GLN . 33.9 mm-40 -55.8 -39.06 70.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.77 0.828 . . . . 61.329999999999998 111.896 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.408 HD11 HH21 ' B' ' 37' ' ' ARG . 93.3 mt -54.09 -54.89 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 123.82 0.848 . . . . 61.140000000000001 111.302 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.768 HD22 HD11 ' A' ' 36' ' ' LEU . 86.5 mt -56.14 -46.18 79.33 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.757 0.823 . . . . 75.340000000000003 111.636 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.532 HE21 ' HA ' ' B' ' 53' ' ' GLU . 20.3 mt-30 -63.73 -41.66 98.02 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.921 -1.036 . . . . 71.200000000000003 112.187 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -65.62 -36.94 85.18 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 124.058 0.943 . . . . 75.019999999999996 111.749 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 58' ' ' VAL . 68.3 t -61.62 -48.97 86.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 CA-C-N 115.677 -0.692 . . . . 62.25 110.635 173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.541 HD13 ' HD3' ' A' ' 35' ' ' ARG . 89.8 mt -55.79 -48.93 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.361 0.664 . . . . 74.129999999999995 110.938 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -55.66 -48.09 75.62 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.607 0.763 . . . . 73.519999999999996 111.904 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -56.63 -48.04 78.37 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.079 0.952 . . . . 71.530000000000001 112.066 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.98 -37.4 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 115.652 -0.704 . . . . 73.099999999999994 111.496 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.21 -41.71 84.62 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.375 0.88 . . . . 71.409999999999997 113.375 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.09 -30.87 71.02 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.09 0.556 . . . . 74.219999999999999 112.157 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.93 -32.65 45.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.909 0.484 . . . . 74.319999999999993 111.447 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -99.64 -179.75 4.29 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.641 1.176 . . . . 71.439999999999998 111.676 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 m -94.48 126.63 46.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.2 0.6 . . . . 72.540000000000006 109.478 168.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.562 1.427 0 C-N-CA 123.451 0.701 . . . . 74.5 110.503 -175.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.7 mtp . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.282 0.086 . . . . 74.530000000000001 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.76 45.75 10.37 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 114.155 0.422 . . . . 55.310000000000002 114.155 173.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -83.81 100.91 11.25 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.049 0.54 . . . . 70.519999999999996 109.581 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -126.01 -28.66 3.15 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.367 0.667 . . . . 75.120000000000005 112.682 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -61.02 103.95 0.32 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.929 0.715 . . . . 61.399999999999999 112.929 -173.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -84.67 88.33 7.35 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.79 0.836 . . . . 71.109999999999999 109.313 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -148.75 102.75 3.32 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.667 0.787 . . . . 75.530000000000001 109.113 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -114.13 5.85 16.12 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.865 0.866 . . . . 72.349999999999994 111.97 -170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.2 p -113.02 147.68 36.69 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.757 0.823 . . . . 62.439999999999998 111.605 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -153.04 101.02 2.54 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.587 0.755 . . . . 60.219999999999999 109.852 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt -137.18 125.52 23.32 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.511 0.724 . . . . 71.129999999999995 110.225 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.56 -158.34 24.96 Favored Glycine 0 N--CA 1.473 1.115 0 C-N-CA 123.124 0.393 . . . . 61.439999999999998 112.495 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.39 164.26 21.57 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 113.825 0.29 . . . . 71.120000000000005 113.825 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.74 36.69 75.48 Favored Glycine 0 CA--C 1.536 1.346 0 O-C-N 122.834 -0.216 . . . . 40.549999999999997 113.552 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -81.56 97.09 7.67 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.329 0.652 . . . . 63.310000000000002 110.543 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.94 152.53 36.85 Favored Glycine 0 CA--C 1.541 1.68 0 CA-C-O 119.517 -0.602 . . . . 55.420000000000002 113.499 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -64.27 151.15 86.59 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.021 2.481 . . . . 51.530000000000001 113.364 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.17 83.35 2.99 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 121.425 0.631 . . . . 64.409999999999997 110.493 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.38 0.79 31.64 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.066 0.546 . . . . 51.219999999999999 111.972 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -130.12 158.62 39.17 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.216 1.006 . . . . 74.239999999999995 110.334 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.66 144.38 28.5 Favored Pre-proline 0 N--CA 1.482 1.169 0 N-CA-C 108.556 -0.905 . . . . 73.230000000000004 108.556 163.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HB2' ' HA3' ' B' ' 14' ' ' GLY . 34.8 Cg_exo -63.2 97.87 0.2 Allowed 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 122.293 1.995 . . . . 65.230000000000004 112.631 176.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.13 129.66 39.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.417 -0.356 . . . . 74.099999999999994 110.167 172.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.4 p -70.05 77.49 0.5 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.585 0.754 . . . . 73.129999999999995 111.747 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 tt -179.46 -38.39 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.306 1.442 . . . . 75.219999999999999 108.172 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 27' ' ' ASP . 8.2 tt -68.82 155.86 39.44 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 124.492 1.117 . . . . 64.420000000000002 110.13 175.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 26' ' ' LEU . 5.9 m-20 -73.99 54.27 0.51 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.245 1.018 . . . . 53.100000000000001 112.362 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.07 -31.97 73.35 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.601 0.76 . . . . 63.25 111.186 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.638 ' HG2' HG22 ' B' ' 52' ' ' VAL . 36.8 mtp -57.75 -41.21 81.44 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.617 -0.72 . . . . 74.209999999999994 111.178 175.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.49 -36.53 82.96 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.965 0.906 . . . . 75.030000000000001 111.238 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -64.64 -41.54 96.07 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.962 0.505 . . . . 73.120000000000005 110.661 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.3 m -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.381 0.672 . . . . 70.150000000000006 111.746 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.83 -34.66 78.29 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.954 0.902 . . . . 73.239999999999995 112.094 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.1 t -64.54 -38.89 92.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.913 0.485 . . . . 52.329999999999998 111.033 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -75.17 -27.74 59.78 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 113.502 0.927 . . . . 72.230000000000004 113.502 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . 90.3 mt -61.77 -46.67 88.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.58 -0.526 . . . . 70.120000000000005 109.58 169.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -56.76 -30.3 63.45 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.484 0.714 . . . . 65.140000000000001 112.833 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.01 -34.65 75.61 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.252 0.549 . . . . 74.450000000000003 111.196 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.66 HD22 HE22 ' B' ' 66' ' ' GLN . 78.6 mt -99.5 -2.23 36.44 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.344 0.868 . . . . 63.340000000000003 113.344 -170.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' LEU . 43.1 t -111.43 103.88 55.51 Favored Pre-proline 0 N--CA 1.493 1.718 0 CA-C-N 118.08 0.4 . . . . 52.229999999999997 111.83 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -79.64 -4.75 13.71 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 123.08 2.52 . . . . 42.32 113.081 168.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.99 14.59 19.59 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.411 0.525 . . . . 73.0 114.411 176.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HG2' ' A' ' 57' ' ' ARG . 99.2 t -84.85 127.71 63.77 Favored Pre-proline 0 CA--C 1.559 1.299 0 C-N-CA 123.81 0.844 . . . . 62.329999999999998 110.147 172.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.99 170.81 13.51 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.44 2.093 . . . . 61.329999999999998 113.219 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -71.67 -32.41 67.85 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.852 0.461 . . . . 60.329999999999998 110.769 171.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.95 -156.52 32.76 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.213 -0.449 . . . . 63.43 112.258 169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 m 66.33 102.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.645 1.178 . . . . 61.409999999999997 111.993 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.74 108.76 3.07 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.997 0.519 . . . . 74.109999999999999 109.931 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.38 97.17 2.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 121.112 0.482 . . . . 64.140000000000001 111.626 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.2 m -73.78 161.72 29.91 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.167 -0.679 . . . . 74.239999999999995 109.167 165.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -49.16 -38.06 24.32 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.38 0.881 . . . . 73.209999999999994 113.38 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.657 HG12 HE21 ' A' ' 56' ' ' GLN . 21.7 t -72.92 -43.63 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.15 0.58 . . . . 73.329999999999998 111.255 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.1 -34.14 74.48 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.902 0.881 . . . . 73.030000000000001 112.069 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 58' ' ' VAL . 93.8 mt -59.71 -50.68 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.581 0.753 . . . . 54.520000000000003 110.691 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HD11 ' B' ' 36' ' ' LEU . 57.0 mt -57.22 -43.58 82.99 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.419 0.45 . . . . 63.229999999999997 111.517 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.657 HE21 HG12 ' A' ' 52' ' ' VAL . 76.2 mt-30 -59.31 -39.83 84.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 73.420000000000002 111.884 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -64.47 -38.75 92.1 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.798 0.439 . . . . 65.319999999999993 111.587 175.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.2 t -68.98 -44.45 81.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.086 0.554 . . . . 74.340000000000003 111.84 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.5 mt -58.67 -50.46 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.751 0.82 . . . . 74.439999999999998 111.254 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.23 -36.78 85.18 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.601 0.761 . . . . 73.140000000000001 112.104 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.29 -48.03 79.96 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.336 0.654 . . . . 63.229999999999997 111.515 173.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 58' ' ' VAL . 73.3 mt -66.0 -29.27 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 123.243 0.617 . . . . 72.120000000000005 110.956 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.94 -32.04 71.36 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.963 0.505 . . . . 73.349999999999994 112.213 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.21 -30.73 70.73 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.233 0.539 . . . . 62.450000000000003 111.386 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.8 mt -80.98 -45.86 15.98 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.761 -0.654 . . . . 54.420000000000002 111.011 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.49 97.06 8.22 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.524 0.678 . . . . 63.240000000000002 110.286 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.36 92.38 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-N 115.326 -0.852 . . . . 72.040000000000006 109.707 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.568 1.673 0 CA-C-N 115.777 -0.647 . . . . 71.030000000000001 111.799 177.023 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' B' ' 3' ' ' HIS . 17.8 tmm? . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.4 -0.593 . . . . 75.340000000000003 109.4 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.07 66.55 3.85 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 114.147 0.419 . . . . 74.310000000000002 114.147 -173.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.498 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 83.7 t60 -166.76 164.14 16.55 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.208 1.003 . . . . 73.349999999999994 109.514 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -153.53 157.35 39.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.495 0.718 . . . . 72.340000000000003 110.336 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -105.89 31.66 4.9 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.646 0.736 . . . . 72.150000000000006 109.412 174.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.4 t60 62.25 81.54 0.2 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.467 1.107 . . . . 63.030000000000001 109.839 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -81.07 129.91 34.77 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.765 -0.652 . . . . 74.519999999999996 110.371 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -84.09 32.12 0.49 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.033 0.933 . . . . 73.439999999999998 111.773 -174.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 m -86.81 52.7 2.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.239 1.016 . . . . 61.210000000000001 111.403 -177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -63.31 92.88 0.06 Allowed 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.621 0.768 . . . . 54.009999999999998 110.683 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 57.4 mtt -65.6 -52.11 54.54 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.121 0.968 . . . . 74.040000000000006 112.781 -169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.08 45.01 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 116.15 -0.477 . . . . 64.540000000000006 112.549 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.1 58.43 2.21 Favored Glycine 0 CA--C 1.534 1.279 0 N-CA-C 112.257 -0.337 . . . . 71.510000000000005 112.257 -174.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.555 ' HA3' ' HB2' ' A' ' 22' ' ' PRO . . . -144.45 82.66 0.21 Allowed Glycine 0 N--CA 1.472 1.055 0 N-CA-C 112.183 -0.367 . . . . 63.200000000000003 112.183 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -122.63 175.44 6.49 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.877 0.871 . . . . 74.129999999999995 110.639 -175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.59 -151.71 6.57 Favored Glycine 0 N--CA 1.473 1.142 0 CA-C-O 118.864 -0.964 . . . . 40.119999999999997 112.014 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.72 110.62 1.14 Allowed 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.542 2.161 . . . . 74.310000000000002 111.342 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 89.88 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.639 0.776 . . . . 64.530000000000001 112.383 -173.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 164.35 15.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.734 0.814 . . . . 74.340000000000003 111.591 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -147.06 139.21 24.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.139 0.576 . . . . 44.439999999999998 110.911 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.79 142.6 56.95 Favored Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 123.363 0.665 . . . . 71.430000000000007 110.081 172.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.6 9.47 2.23 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.965 2.443 . . . . 73.209999999999994 115.943 -169.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt 55.02 99.65 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.533 1.533 . . . . 41.520000000000003 113.812 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -132.41 141.81 49.02 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.264 0.626 . . . . 75.439999999999998 109.785 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mp 61.67 -163.42 0.26 Allowed 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.726 0.81 . . . . 65.310000000000002 109.844 -167.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.89 96.76 10.57 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.678 -0.639 . . . . 75.140000000000001 110.578 173.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.62 84.11 0.86 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.391 -0.822 . . . . 73.540000000000006 109.979 175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.25 -26.05 65.49 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.246 0.618 . . . . 74.140000000000001 111.844 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -54.14 41.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.831 0.852 . . . . 73.299999999999997 110.752 167.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -76.01 -26.62 56.85 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.535 -1.211 . . . . 65.239999999999995 111.969 -177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -70.5 -39.95 73.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.661 0.784 . . . . 60.149999999999999 109.94 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.81 -37.28 87.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.448 0.699 . . . . 75.540000000000006 111.327 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -62.5 -37.09 84.68 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.102 0.561 . . . . 74.239999999999995 111.869 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 67.5 m -68.26 -33.97 75.34 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.181 0.592 . . . . 50.549999999999997 111.118 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -72.83 -32.67 65.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.751 0.82 . . . . 62.130000000000003 112.518 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 55' ' ' LEU . 96.9 mt -64.5 -45.39 87.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.933 0.493 . . . . 62.020000000000003 109.849 169.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.402 ' HE ' HG11 ' B' ' 43' ' ' VAL . 15.6 tpt180 -56.08 -25.18 44.3 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.984 0.914 . . . . 74.219999999999999 112.105 176.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 34' ' ' SER . 20.0 mm-40 -76.21 -40.34 52.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.301 0.64 . . . . 63.140000000000001 111.329 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 62' ' ' ILE . 94.8 mt -95.89 -7.86 35.59 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 114.077 1.14 . . . . 74.109999999999999 114.077 -170.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 36' ' ' LEU . 40.8 t -107.34 101.9 41.18 Favored Pre-proline 0 N--CA 1.491 1.597 0 CA-C-N 118.22 0.464 . . . . 73.540000000000006 111.774 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 61' ' ' TYR . 91.7 Cg_endo -75.05 -7.0 18.73 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.206 2.604 . . . . 53.130000000000003 112.303 168.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.85 -15.43 60.1 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-N 116.099 -0.501 . . . . 73.010000000000005 113.436 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.402 HG11 ' HE ' ' B' ' 37' ' ' ARG . 92.6 t -65.12 120.89 70.99 Favored Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 123.321 0.648 . . . . 73.329999999999998 109.691 170.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.39 94.1 0.36 Allowed 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.56 2.173 . . . . 75.409999999999997 112.824 -172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 56.74 -83.51 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.454 1.501 . . . . 72.140000000000001 112.004 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.8 -92.12 1.66 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 110.669 -0.973 . . . . 43.210000000000001 110.669 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.4 m 55.19 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.226 1.41 . . . . 71.230000000000004 113.962 169.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.31 109.72 1.67 Allowed 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.609 0.719 . . . . 65.209999999999994 111.483 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -89.39 176.41 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.792 0.837 . . . . 74.230000000000004 112.161 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.1 t -98.57 169.24 9.65 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.527 0.731 . . . . 55.549999999999997 110.719 172.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.37 -42.3 98.85 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.379 0.672 . . . . 74.200000000000003 111.391 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.638 HG22 ' HG2' ' A' ' 29' ' ' MET . 8.1 t -71.07 -37.81 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.081 -0.509 . . . . 75.319999999999993 110.824 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.59 -45.01 77.48 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.066 0.946 . . . . 74.420000000000002 111.728 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.416 ' O ' HG23 ' B' ' 58' ' ' VAL . 76.6 mt -60.56 -49.56 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.543 0.527 . . . . 65.140000000000001 110.801 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.56 -51.97 61.21 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.811 0.671 . . . . 71.310000000000002 112.811 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.41 -34.58 76.27 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.558 0.743 . . . . 71.140000000000001 112.04 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -73.73 -28.64 61.8 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.396 0.678 . . . . 71.099999999999994 111.845 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.486 HG21 HD13 ' B' ' 36' ' ' LEU . 55.6 t -73.42 -42.01 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.171 0.588 . . . . 64.049999999999997 110.382 174.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.424 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 79.3 mt -56.08 -52.6 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 109.721 -0.474 . . . . 64.140000000000001 109.721 171.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.85 -33.59 73.29 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.509 1.124 . . . . 71.430000000000007 112.298 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.457 ' CE1' ' HD2' ' B' ' 41' ' ' PRO . 54.3 t80 -62.73 -49.72 73.93 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.717 0.807 . . . . 71.409999999999997 111.047 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.3 mt -65.17 -38.4 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 C-N-CA 122.959 0.503 . . . . 65.239999999999995 110.692 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 89.4 mt -67.93 -29.61 68.71 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.706 0.802 . . . . 64.25 111.39 175.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.71 -34.81 76.27 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.395 0.678 . . . . 73.349999999999994 111.087 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 70.1 mt -72.75 -36.2 67.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.498 0.719 . . . . 52.229999999999997 111.091 175.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.66 HE22 HD22 ' A' ' 39' ' ' LEU . 18.5 mt-30 -89.75 165.84 13.93 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.217 1.007 . . . . 70.230000000000004 112.244 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -86.89 100.72 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.136 0.574 . . . . 71.430000000000007 110.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.492 1.671 0 C-N-CA 123.528 0.731 . . . . 62.130000000000003 112.765 -177.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.628 -0.138 . . . . 74.019999999999996 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.37 86.33 0.07 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 112.396 -0.282 . . . . 44.240000000000002 112.396 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -147.89 154.83 40.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.36 0.664 . . . . 70.010000000000005 111.929 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -105.87 144.78 32.12 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.806 0.842 . . . . 63.219999999999999 110.498 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -75.06 171.8 13.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.379 1.071 . . . . 62.340000000000003 111.987 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -143.69 133.8 24.29 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.243 0.617 . . . . 72.239999999999995 111.301 -176.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -98.49 144.1 28.19 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.258 1.023 . . . . 62.030000000000001 110.368 174.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -155.87 94.98 1.6 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.865 0.866 . . . . 75.439999999999998 110.584 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -144.7 118.74 9.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.703 0.801 . . . . 72.329999999999998 110.454 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -148.61 96.51 2.6 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.122 0.569 . . . . 64.310000000000002 110.309 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.573 ' HG2' ' HD3' ' B' ' 45' ' ' ARG . 28.0 ttt -161.42 97.94 1.12 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.437 0.695 . . . . 71.040000000000006 110.372 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.02 -163.2 13.5 Favored Glycine 0 N--CA 1.473 1.129 0 CA-C-N 116.097 -0.501 . . . . 71.340000000000003 112.444 174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.66 137.38 1.57 Allowed Glycine 0 N--CA 1.478 1.468 0 N-CA-C 113.96 0.344 . . . . 74.310000000000002 113.96 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.55 -170.71 38.2 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-O 121.124 0.291 . . . . 54.310000000000002 113.616 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -124.36 122.74 38.54 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.647 1.179 . . . . 72.439999999999998 110.441 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.24 -174.02 17.05 Favored Glycine 0 N--CA 1.478 1.489 0 CA-C-O 119.771 -0.461 . . . . 51.450000000000003 113.299 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.96 114.77 4.1 Favored 'Trans proline' 0 CA--C 1.56 1.782 0 C-N-CA 122.621 2.214 . . . . 72.310000000000002 111.636 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.1 97.45 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.046 0.938 . . . . 54.32 112.732 -173.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.21 93.06 8.95 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.812 0.845 . . . . 43.420000000000002 110.751 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.684 ' HG2' ' HA ' ' B' ' 50' ' ' SER . 29.3 mt-10 -130.3 158.64 39.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.605 0.762 . . . . 63.049999999999997 111.805 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -147.71 147.53 27.7 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 123.833 0.853 . . . . 75.439999999999998 109.362 174.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.09 -176.29 3.17 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.69 2.26 . . . . 64.25 113.624 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.05 94.15 0.32 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.465 0.706 . . . . 73.329999999999998 110.489 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.0 t -130.06 -49.35 1.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.725 0.81 . . . . 72.010000000000005 110.557 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 25' ' ' LEU . 2.7 pt? -79.45 -177.52 5.81 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.121 0.969 . . . . 71.439999999999998 112.16 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.87 144.04 52.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.726 0.81 . . . . 63.219999999999999 110.557 176.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -60.45 90.25 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.447 1.099 . . . . 72.430000000000007 113.755 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.6 -31.04 41.68 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.724 0.809 . . . . 74.430000000000007 109.014 162.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.647 ' HG2' HG22 ' B' ' 52' ' ' VAL . 21.6 mtp -54.81 -52.11 63.7 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.539 1.136 . . . . 65.310000000000002 112.47 -176.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -66.55 -31.12 71.63 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.107 0.963 . . . . 73.140000000000001 112.693 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -71.73 -40.83 69.16 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 122.737 0.415 . . . . 53.340000000000003 110.987 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 92.8 m -62.03 -41.54 98.2 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.028 0.531 . . . . 72.310000000000002 111.381 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.32 -39.13 92.02 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.957 0.903 . . . . 73.109999999999999 112.038 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.3 m -63.65 -46.36 85.97 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.072 0.549 . . . . 72.120000000000005 110.66 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' B' ' 59' ' ' ILE . 22.9 ttp180 -63.31 -31.66 72.87 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 124.203 1.001 . . . . 71.219999999999999 111.89 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD13 HG21 ' A' ' 58' ' ' VAL . 98.0 mt -65.83 -55.83 15.07 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.486 0.714 . . . . 70.329999999999998 110.185 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -53.76 -24.79 16.22 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.662 0.986 . . . . 65.230000000000004 113.662 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.29 -32.41 29.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.758 0.823 . . . . 64.200000000000003 111.239 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.1 mt -95.58 -12.5 25.58 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.671 0.788 . . . . 74.439999999999998 112.394 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 61' ' ' TYR . 97.9 t -100.58 106.65 44.4 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 123.861 0.865 . . . . 71.019999999999996 111.183 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.45 -3.39 13.83 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.817 2.345 . . . . 62.020000000000003 113.079 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.53 -21.14 72.43 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 123.131 0.396 . . . . 43.299999999999997 113.691 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.67 110.32 8.71 Favored Pre-proline 0 CA--C 1.566 1.573 0 C-N-CA 123.645 0.778 . . . . 75.340000000000003 110.163 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -65.4 2.31 1.59 Allowed 'Trans proline' 0 C--N 1.384 2.435 0 C-N-CA 123.645 2.897 . . . . 72.230000000000004 116.314 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 69.93 125.28 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 125.321 1.448 . . . . 70.420000000000002 111.645 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.88 -75.32 1.88 Allowed Glycine 0 CA--C 1.535 1.309 0 N-CA-C 110.812 -0.915 . . . . 51.219999999999999 110.812 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t 47.79 -60.77 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.658 0 N-CA-C 118.632 2.827 . . . . 60.409999999999997 118.632 164.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 87.12 90.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.027 2.131 . . . . 71.0 109.462 -170.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -128.55 127.67 42.79 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.54 1.136 . . . . 72.340000000000003 109.509 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.9 m -85.95 178.31 7.31 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.233 0.613 . . . . 64.5 111.111 175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -49.24 -45.57 44.84 Favored 'General case' 0 N--CA 1.503 2.18 0 C-N-CA 124.245 1.018 . . . . 75.409999999999997 113.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' B' ' 29' ' ' MET . 47.9 t -69.63 -40.85 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.787 0.835 . . . . 74.310000000000002 111.507 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.99 -26.77 62.37 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.52 0.728 . . . . 62.310000000000002 112.672 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.3 mt -63.85 -47.02 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 109.703 -0.48 . . . . 75.549999999999997 109.703 171.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' B' ' 32' ' ' CYS . 98.3 mt -54.96 -41.05 70.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.971 0.908 . . . . 71.310000000000002 112.669 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.434 HE21 HG12 ' A' ' 52' ' ' VAL . 73.4 mt-30 -58.98 -41.77 88.39 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.605 0.762 . . . . 72.019999999999996 111.563 175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -69.79 -31.54 69.52 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.445 0.698 . . . . 74.109999999999999 112.118 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.635 HG21 HD13 ' A' ' 36' ' ' LEU . 93.2 t -66.45 -37.33 79.38 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 C-N-CA 123.173 0.589 . . . . 64.040000000000006 110.744 175.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.597 HD11 ' HA ' ' B' ' 32' ' ' CYS . 77.7 mt -62.88 -50.0 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 116.067 -0.515 . . . . 61.520000000000003 109.86 170.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -52.82 -41.78 64.52 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.831 0.852 . . . . 62.229999999999997 111.864 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.48 ' HE2' HG12 ' B' ' 62' ' ' ILE . 52.1 t80 -56.26 -51.37 68.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.634 0.774 . . . . 71.519999999999996 111.428 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.703 HG21 ' HB3' ' B' ' 39' ' ' LEU . 32.8 mt -68.94 -32.25 53.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.251 0 CA-C-N 115.946 -0.57 . . . . 70.109999999999999 110.792 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 99.5 mt -64.2 -37.34 87.12 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.071 0.548 . . . . 73.340000000000003 111.311 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -66.87 -33.23 75.15 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.379 0.672 . . . . 71.239999999999995 111.71 173.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.46 -41.87 75.66 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 122.841 0.456 . . . . 64.019999999999996 111.78 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 14.7 mm100 -77.87 -66.1 0.88 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.701 0.8 . . . . 61.240000000000002 111.681 -175.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.8 t -103.95 143.1 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 123.915 0.886 . . . . 61.119999999999997 111.01 -171.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.547 0.739 . . . . 72.030000000000001 110.906 178.309 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.517 0.199 . . . . 73.319999999999993 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.26 130.36 1.44 Allowed Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.516 -0.311 . . . . 62.229999999999997 112.708 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -100.19 118.42 36.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.068 0.547 . . . . 74.120000000000005 111.099 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -87.71 81.57 7.61 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 108.355 -0.98 . . . . 75.25 108.355 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -128.67 -45.98 1.3 Allowed 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.256 -0.884 . . . . 62.399999999999999 109.785 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -73.03 114.56 11.32 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.172 0.589 . . . . 63.439999999999998 110.678 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -158.22 121.75 3.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.333 1.053 . . . . 65.209999999999994 109.078 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -87.79 128.06 35.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.047 0.539 . . . . 73.329999999999998 111.138 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -116.54 -168.16 1.4 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.191 0.996 . . . . 64.540000000000006 110.451 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -65.32 139.82 58.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 112.428 0.529 . . . . 62.329999999999998 112.428 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.9 173.09 12.73 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.515 1.126 . . . . 64.299999999999997 110.796 -178.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.86 53.11 21.02 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-N 116.435 -0.348 . . . . 23.25 113.496 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.77 127.58 25.54 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-O 120.279 -0.178 . . . . 75.450000000000003 113.494 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.18 -42.44 1.93 Allowed Glycine 0 C--N 1.352 1.431 0 CA-C-O 119.82 -0.433 . . . . 63.340000000000003 113.101 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt 67.69 125.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.156 1.382 . . . . 70.409999999999997 112.628 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.64 -164.8 26.96 Favored Glycine 0 CA--C 1.546 2.018 0 N-CA-C 114.662 0.625 . . . . 71.040000000000006 114.662 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.92 55.24 5.56 Favored 'Trans proline' 0 CA--C 1.562 1.901 0 C-N-CA 123.537 2.825 . . . . 72.400000000000006 113.609 -177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.6 74.55 5.13 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.479 0.657 . . . . 44.109999999999999 110.872 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.74 -54.21 4.67 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.745 0.818 . . . . 72.310000000000002 110.817 -177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.99 177.29 5.75 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.523 1.129 . . . . 63.020000000000003 112.407 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.46 159.3 81.81 Favored Pre-proline 0 CA--C 1.567 1.61 0 C-N-CA 124.047 0.939 . . . . 74.439999999999998 111.914 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.93 98.87 0.14 Allowed 'Trans proline' 0 C--N 1.383 2.367 0 C-N-CA 122.733 2.289 . . . . 71.519999999999996 112.754 176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.48 114.41 23.21 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.623 0.769 . . . . 75.549999999999997 111.762 -177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -140.61 -77.64 0.3 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.592 0.757 . . . . 45.439999999999998 110.299 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -174.98 169.27 3.42 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.539 0.735 . . . . 72.099999999999994 110.134 -171.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 tt -66.46 141.61 57.85 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.294 -0.632 . . . . 53.210000000000001 109.294 165.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -73.46 73.25 1.39 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.354 0.662 . . . . 74.25 112.197 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -73.34 -32.16 64.39 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.603 -0.726 . . . . 74.099999999999994 109.1 173.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.627 ' HB2' HG22 ' A' ' 52' ' ' VAL . 17.0 ttm -61.49 -51.12 69.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.2 1.0 . . . . 75.450000000000003 111.831 175.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.92 -32.35 71.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.453 0.301 . . . . 73.420000000000002 111.324 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -60.02 -46.02 90.85 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.461 0.705 . . . . 72.409999999999997 110.589 172.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.597 ' HA ' HD11 ' A' ' 59' ' ' ILE . 94.9 m -61.72 -48.68 79.63 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.16 -0.927 . . . . 73.5 111.208 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -60.13 -32.59 71.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.326 1.05 . . . . 52.219999999999999 112.336 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 48.1 t -67.67 -48.27 67.11 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.307 0.643 . . . . 74.200000000000003 110.795 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.405 ' HD2' HD13 ' A' ' 59' ' ' ILE . 38.6 mtt180 -58.37 -40.49 82.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.468 0.707 . . . . 74.129999999999995 112.367 173.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 32' ' ' CYS . 82.0 mt -61.53 -48.64 80.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.566 0.346 . . . . 75.129999999999995 110.246 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -59.11 -20.76 56.44 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.264 0.838 . . . . 51.530000000000001 113.264 175.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.39 -38.65 13.17 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.216 0.606 . . . . 64.540000000000006 111.137 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 62' ' ' ILE . 98.6 mt -86.03 -12.18 50.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.741 0.816 . . . . 61.229999999999997 112.177 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.5 t -105.42 102.18 35.87 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 124.04 0.936 . . . . 42.25 109.502 174.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -75.73 22.39 0.47 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.252 2.635 . . . . 75.219999999999999 114.094 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.496 ' H ' HG12 ' B' ' 40' ' ' VAL . . . -103.42 5.23 48.32 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.585 -0.564 . . . . 62.200000000000003 114.305 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 78.2 t -79.46 120.99 82.23 Favored Pre-proline 0 N--CA 1.487 1.419 0 CA-C-N 117.716 0.758 . . . . 72.519999999999996 109.974 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.46 80.85 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 123.424 2.749 . . . . 65.030000000000001 115.275 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 11' ' ' MET . 30.7 mmm180 49.88 25.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 116.276 1.954 . . . . 74.400000000000006 116.276 167.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.46 123.79 3.18 Favored Glycine 0 N--CA 1.474 1.175 0 O-C-N 122.327 -0.233 . . . . 44.329999999999998 113.494 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 6.6 t -177.65 -35.33 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.791 0.836 . . . . 40.140000000000001 111.062 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 50.51 82.58 0.05 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.287 1.035 . . . . 75.530000000000001 110.627 -166.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' B' ' 53' ' ' GLU . 66.8 mt -56.02 157.75 4.35 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.196 1.399 . . . . 71.150000000000006 114.047 -171.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.684 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 33.0 t -66.15 156.73 33.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.311 -0.859 . . . . 50.149999999999999 111.103 169.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -46.97 -40.02 13.56 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.056 0.942 . . . . 75.239999999999995 112.726 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.647 HG22 ' HG2' ' A' ' 29' ' ' MET . 11.2 t -71.29 -51.5 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.26 0.624 . . . . 63.109999999999999 111.124 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' B' ' 49' ' ' LEU . 48.5 mm-40 -56.96 -34.76 68.37 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.28 1.032 . . . . 71.329999999999998 112.741 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 58' ' ' VAL . 86.0 mt -64.37 -49.03 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.362 0.665 . . . . 54.140000000000001 110.626 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 36' ' ' LEU . 87.6 mt -52.61 -46.18 66.91 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.402 0.681 . . . . 72.230000000000004 111.441 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.05 -45.54 84.95 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.961 -1.018 . . . . 62.420000000000002 111.362 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -29.89 70.92 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.382 0.673 . . . . 74.200000000000003 112.657 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 62' ' ' ILE . 72.8 t -64.29 -47.24 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 109.787 -0.449 . . . . 74.219999999999999 109.787 172.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.652 HG21 ' HE ' ' A' ' 35' ' ' ARG . 73.4 mt -62.79 -37.97 80.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 C-N-CA 123.136 0.574 . . . . 71.310000000000002 110.857 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -67.35 -34.91 78.32 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.248 0.619 . . . . 71.150000000000006 111.589 175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.616 ' HB2' HG13 ' B' ' 40' ' ' VAL . 52.8 t80 -59.97 -47.78 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.547 1.139 . . . . 73.109999999999999 110.635 173.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.48 HG12 ' HE2' ' A' ' 61' ' ' TYR . 61.4 mt -62.68 -49.98 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 C-N-CA 123.71 0.804 . . . . 63.329999999999998 110.723 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.72 -32.04 73.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.859 0.863 . . . . 75.319999999999993 112.164 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.03 -39.41 93.32 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.194 0.598 . . . . 62.350000000000001 110.817 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 83.0 mt -69.62 -44.76 70.03 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.484 0.714 . . . . 73.349999999999994 111.844 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.47 -51.69 33.68 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.977 0.911 . . . . 62.329999999999998 113.158 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.53 128.22 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.513 0.725 . . . . 71.340000000000003 111.904 -173.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 CA--C 1.566 1.592 0 C-N-CA 123.813 0.845 . . . . 36.969999999999999 109.989 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.266 0.079 . . . . 72.239999999999995 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.77 91.2 0.45 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 111.543 -0.623 . . . . 72.019999999999996 111.543 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -66.37 145.69 55.41 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.197 0.599 . . . . 72.430000000000007 111.621 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -102.53 103.82 14.19 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.404 0.681 . . . . 71.450000000000003 110.243 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -87.71 64.81 8.18 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 123.89 0.876 . . . . 74.200000000000003 111.435 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -82.84 88.46 6.78 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.917 0.487 . . . . 73.129999999999995 111.076 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -143.0 122.33 13.06 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 108.466 -0.939 . . . . 71.319999999999993 108.466 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.02 90.27 1.49 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.337 0.589 . . . . 72.010000000000005 110.765 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -100.58 85.44 2.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.657 0.783 . . . . 73.030000000000001 109.236 170.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -69.81 -63.37 1.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.633 0.373 . . . . 74.519999999999996 110.163 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 ttt 68.43 149.3 0.07 Allowed 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.073 1.349 . . . . 52.329999999999998 112.65 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.31 -166.1 26.87 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 114.302 0.481 . . . . 55.130000000000003 114.302 174.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.58 160.39 22.59 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 123.118 0.389 . . . . 63.340000000000003 112.45 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.83 -18.33 2.41 Favored Glycine 0 N--CA 1.481 1.645 0 CA-C-N 117.347 0.573 . . . . 72.420000000000002 114.513 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -108.7 -79.5 0.58 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.872 0.469 . . . . 74.299999999999997 110.825 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.11 126.34 0.14 Allowed Glycine 0 CA--C 1.546 2.01 0 CA-C-O 119.105 -0.83 . . . . 62.450000000000003 112.828 -173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.6 127.38 22.49 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.625 2.217 . . . . 72.319999999999993 112.175 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.99 93.94 0.09 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.593 0.757 . . . . 74.239999999999995 111.441 -176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.02 167.67 21.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.905 0.882 . . . . 52.539999999999999 111.023 -175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -145.22 115.02 7.33 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.498 0.719 . . . . 75.120000000000005 110.631 -174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -165.21 161.3 14.42 Favored Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 123.674 0.79 . . . . 72.319999999999993 110.851 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -58.62 160.51 17.15 Favored 'Trans proline' 0 C--N 1.383 2.352 0 C-N-CA 123.063 2.508 . . . . 72.329999999999998 114.106 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.19 111.82 1.88 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.287 0.635 . . . . 65.239999999999995 111.725 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.1 p -159.48 144.98 15.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.503 1.121 . . . . 75.540000000000006 109.549 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.48 158.47 7.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.988 0.915 . . . . 61.439999999999998 112.008 -175.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tt 80.02 108.66 0.07 Allowed 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 126.102 1.761 . . . . 73.310000000000002 109.279 -165.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 54.51 22.99 4.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 73.109999999999999 112.862 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.58 -33.79 76.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.307 0.243 . . . . 74.400000000000006 110.834 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.3 ttm -61.82 -39.39 91.6 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.66 0.784 . . . . 75.430000000000007 111.792 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -63.58 -50.39 69.65 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.598 0.759 . . . . 64.0 110.814 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.06 -35.13 79.7 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.794 0.838 . . . . 73.439999999999998 112.074 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 m -66.47 -53.88 30.24 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.706 0.802 . . . . 63.240000000000002 111.317 175.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.72 -35.93 75.53 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.21 0.604 . . . . 73.430000000000007 112.512 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -63.35 -49.39 74.07 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.965 0.506 . . . . 64.329999999999998 111.011 175.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.81 -38.22 87.33 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.474 1.11 . . . . 53.219999999999999 112.016 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 58' ' ' VAL . 94.5 mt -62.14 -51.03 69.52 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.344 0.658 . . . . 71.299999999999997 110.727 176.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -56.71 -22.86 38.25 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.215 0.821 . . . . 72.239999999999995 113.215 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -87.91 -32.57 18.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.562 0.745 . . . . 62.109999999999999 111.275 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.5 mt -86.7 -25.49 24.74 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.699 0.8 . . . . 73.299999999999997 112.13 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 57' ' ' ARG . 87.9 t -92.62 119.43 67.96 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.646 0.778 . . . . 64.109999999999999 111.725 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.14 173.6 13.68 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.092 2.528 . . . . 75.340000000000003 112.4 169.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.1 87.99 Favored Glycine 0 CA--C 1.539 1.587 0 N-CA-C 114.134 0.413 . . . . 74.400000000000006 114.134 -176.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.6 t -90.56 110.76 43.47 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.739 0.815 . . . . 70.140000000000001 109.438 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.21 135.72 35.23 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.353 2.035 . . . . 72.230000000000004 112.229 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -65.76 -31.29 72.18 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.436 0.694 . . . . 52.039999999999999 112.085 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.82 24.9 15.43 Favored Glycine 0 CA--C 1.537 1.468 0 CA-C-O 120.052 -0.305 . . . . 61.32 113.501 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.1 m -140.04 103.88 4.72 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.556 0.742 . . . . 74.25 110.593 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.64 95.58 5.95 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.801 -0.444 . . . . 63.340000000000003 109.801 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 53' ' ' GLU . 83.5 mt -63.74 129.28 39.45 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.888 -0.597 . . . . 73.319999999999993 110.596 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.8 m -80.3 -77.72 0.19 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.215 0.606 . . . . 54.049999999999997 112.545 -169.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.89 -73.68 0.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.375 0.67 . . . . 64.109999999999999 111.108 -174.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG12 HE21 ' A' ' 56' ' ' GLN . 3.4 t -71.75 -32.61 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 115.856 -0.611 . . . . 60.240000000000002 110.86 -173.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' HB3' HD22 ' A' ' 49' ' ' LEU . 46.5 mt-10 -53.71 -43.82 69.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.951 0.901 . . . . 75.200000000000003 111.736 172.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 58.6 mt -63.28 -50.05 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 122.968 0.507 . . . . 75.409999999999997 110.277 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 59' ' ' ILE . 96.1 mt -52.33 -49.41 64.32 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.744 0.817 . . . . 72.129999999999995 112.426 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.436 HE21 HG12 ' A' ' 52' ' ' VAL . 78.3 mt-30 -59.98 -44.19 94.63 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.087 0.955 . . . . 54.25 111.676 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 1.2 mmp_? -62.36 -37.68 86.62 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.575 0.75 . . . . 73.310000000000002 112.08 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG21 HD13 ' A' ' 36' ' ' LEU . 83.2 t -65.16 -42.6 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 122.528 0.331 . . . . 73.120000000000005 110.305 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 60.6 mt -60.95 -44.86 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 123.071 0.548 . . . . 73.25 110.65 175.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.24 -45.54 83.83 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.697 0.799 . . . . 72.230000000000004 111.403 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -58.14 -42.94 86.95 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.987 0.915 . . . . 72.430000000000007 111.603 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 58' ' ' VAL . 63.5 mt -70.69 -25.88 27.27 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 C-N-CA 122.81 0.444 . . . . 61.240000000000002 110.989 177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 90.6 mt -68.4 -29.77 68.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.889 0.475 . . . . 73.329999999999998 111.41 171.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.68 -33.97 73.29 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.981 0.512 . . . . 73.510000000000005 111.373 169.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.9 mt -71.74 -39.65 69.92 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.176 0.591 . . . . 75.120000000000005 111.289 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -93.02 169.67 10.25 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.289 1.036 . . . . 73.510000000000005 111.458 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.2 t -85.44 115.35 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 122.936 0.494 . . . . 70.150000000000006 110.939 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 CA--C 1.567 1.604 0 C-N-CA 123.483 0.713 . . . . 75.409999999999997 110.145 177.147 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.698 0.285 . . . . 72.0 111.363 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.15 74.15 0.58 Allowed Glycine 0 C--N 1.351 1.378 0 N-CA-C 111.501 -0.64 . . . . 72.129999999999995 111.501 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -148.86 139.48 22.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.824 0.85 . . . . 71.319999999999993 110.527 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' B' ' 7' ' ' HIS . 94.6 m-70 -121.36 -172.95 2.52 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.466 1.106 . . . . 71.310000000000002 110.412 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -64.49 98.16 0.24 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.68 0.392 . . . . 73.439999999999998 110.079 173.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 74.7 m80 74.72 -46.13 0.59 Allowed 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 125.877 1.671 . . . . 71.230000000000004 112.645 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.512 ' HB2' ' HB2' ' B' ' 4' ' ' HIS . 70.7 m80 -62.96 93.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.304 1.041 . . . . 71.109999999999999 112.273 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -95.48 -14.88 23.34 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.284 0.634 . . . . 75.450000000000003 111.693 174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -109.49 165.03 11.97 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.008 0.923 . . . . 73.230000000000004 111.907 -174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -149.35 127.38 11.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.965 0.906 . . . . 74.239999999999995 110.161 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 52.9 ttm -90.49 126.97 36.09 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.672 0.789 . . . . 70.439999999999998 111.162 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.05 87.14 0.49 Allowed Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.933 -0.467 . . . . 72.409999999999997 111.933 174.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.65 77.61 2.04 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 119.932 -0.371 . . . . 63.530000000000001 113.709 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.91 -87.33 0.1 Allowed Glycine 0 C--N 1.357 1.704 0 C-N-CA 123.538 0.59 . . . . 40.32 113.891 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 26.8 tptp 66.63 -76.1 0.05 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.885 1.674 . . . . 51.409999999999997 112.726 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.23 135.86 34.48 Favored Glycine 0 C--N 1.358 1.757 0 CA-C-O 118.903 -0.943 . . . . 62.109999999999999 113.596 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -68.29 148.39 74.07 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 123.153 2.569 . . . . 71.519999999999996 113.085 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.17 89.97 2.03 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-O 121.378 0.609 . . . . 72.219999999999999 112.066 -176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.94 25.86 4.48 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.252 1.021 . . . . 43.049999999999997 111.284 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.09 86.83 4.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.148 0.979 . . . . 70.120000000000005 110.388 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -123.39 152.75 65.01 Favored Pre-proline 0 N--CA 1.487 1.42 0 C-N-CA 123.579 0.752 . . . . 54.509999999999998 111.961 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.63 -167.83 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.957 2.438 . . . . 65.319999999999993 113.097 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.9 mt 70.02 114.18 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.284 1.434 . . . . 74.25 112.79 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -83.98 67.6 9.7 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.005 0.922 . . . . 74.519999999999996 110.349 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.6 mt 68.26 -68.99 0.16 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.982 1.713 . . . . 73.140000000000001 113.604 176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 tt -120.9 -36.87 3.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.703 0.801 . . . . 75.219999999999999 110.298 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.773 ' HB3' ' HB3' ' B' ' 30' ' ' ASN . 5.9 m-20 64.34 67.16 0.59 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.733 1.213 . . . . 73.129999999999995 111.501 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.77 -52.86 21.55 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 112.125 0.417 . . . . 65.239999999999995 112.125 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 33.5 ttm -58.83 -45.88 89.0 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.461 0.704 . . . . 61.149999999999999 111.75 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.773 ' HB3' ' HB3' ' B' ' 27' ' ' ASP . 46.6 t30 -63.7 -36.6 84.38 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.773 0.829 . . . . 65.230000000000004 111.545 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -70.35 -43.46 70.15 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.103 0.561 . . . . 75.299999999999997 110.709 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 91.7 m -64.82 -37.97 89.41 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.638 0.775 . . . . 63.0 112.122 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.3 -40.46 90.03 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.623 0.769 . . . . 64.019999999999996 111.767 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 35.5 t -67.5 -37.82 83.39 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.245 0.618 . . . . 65.510000000000005 111.126 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -68.4 -29.49 68.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.944 1.298 . . . . 62.5 111.256 -178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.41 ' O ' HG23 ' B' ' 40' ' ' VAL . 96.3 mt -60.32 -54.99 39.12 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.021 0.529 . . . . 72.109999999999999 109.953 165.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.662 HH12 ' HD2' ' B' ' 57' ' ' ARG . 24.0 mmt180 -63.2 -16.73 61.08 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.027 1.121 . . . . 73.120000000000005 114.027 -176.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 34' ' ' SER . 40.6 mm-40 -69.82 -44.21 70.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 121.233 0.54 . . . . 70.450000000000003 110.272 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.35 -19.63 26.4 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.083 -0.962 . . . . 71.439999999999998 112.05 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.458 HG21 HG22 ' B' ' 58' ' ' VAL . 61.3 t -89.19 112.12 49.28 Favored Pre-proline 0 N--CA 1.488 1.438 0 C-N-CA 123.311 0.645 . . . . 74.409999999999997 110.306 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.5 -11.07 30.35 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.629 2.219 . . . . 72.420000000000002 113.6 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.75 71.04 2.62 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 123.028 0.347 . . . . 70.120000000000005 113.45 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' B' ' 37' ' ' ARG . 21.6 t -139.96 111.48 7.35 Favored Pre-proline 0 N--CA 1.489 1.483 0 C-N-CA 123.461 0.704 . . . . 72.040000000000006 109.567 174.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.49 137.95 23.69 Favored 'Trans proline' 0 CA--C 1.558 1.702 0 C-N-CA 122.412 2.075 . . . . 61.530000000000001 112.032 174.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -68.17 138.3 55.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.732 0.413 . . . . 72.239999999999995 111.169 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.72 -28.61 3.93 Favored Glycine 0 CA--C 1.541 1.679 0 CA-C-N 116.609 -0.269 . . . . 61.210000000000001 113.638 -175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 18.6 m -79.51 109.26 13.72 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.185 0.994 . . . . 75.439999999999998 110.227 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -74.37 -33.78 63.18 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.49 0.716 . . . . 63.329999999999998 112.548 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt 64.37 -176.62 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.335 1.054 . . . . 71.140000000000001 112.741 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.41 ' O ' HG13 ' B' ' 54' ' ' ILE . 74.4 m -142.98 170.84 14.94 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.426 0.528 . . . . 70.540000000000006 112.426 -176.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.54 -53.89 33.12 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 125.251 1.421 . . . . 75.319999999999993 113.966 -170.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.458 HG12 HE21 ' B' ' 56' ' ' GLN . 18.0 t -71.28 -35.9 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.799 0.44 . . . . 73.140000000000001 111.205 -176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -36.08 72.17 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.763 0.825 . . . . 72.209999999999994 110.391 176.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.631 HG12 ' HE ' ' B' ' 37' ' ' ARG . 18.7 mt -63.58 -51.79 65.8 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 116.293 -0.412 . . . . 74.420000000000002 110.566 175.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 59' ' ' ILE . 98.2 mt -54.26 -46.71 72.71 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.227 0.611 . . . . 62.340000000000003 112.308 178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.458 HE21 HG12 ' B' ' 52' ' ' VAL . 77.6 mt-30 -54.09 -55.96 22.61 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.46 1.104 . . . . 72.319999999999993 112.239 175.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.662 ' HD2' HH12 ' B' ' 37' ' ' ARG . 14.4 ttm-85 -72.72 -24.5 60.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.277 -0.874 . . . . 73.430000000000007 111.943 -172.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.458 HG22 HG21 ' B' ' 40' ' ' VAL . 67.4 t -71.85 -41.13 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.936 0.494 . . . . 62.340000000000003 110.567 171.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 68.7 mt -60.28 -50.4 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 118.063 0.392 . . . . 73.219999999999999 110.55 175.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -54.14 -45.8 72.06 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.478 0.711 . . . . 64.340000000000003 111.63 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 53.1 t80 -54.57 -49.25 70.82 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.824 1.25 . . . . 62.210000000000001 111.421 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.71 -38.59 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.222 0 C-N-CA 124.281 1.032 . . . . 75.109999999999999 111.757 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 97.0 mt -65.38 -37.08 85.92 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.231 0.612 . . . . 73.200000000000003 112.428 -177.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -61.0 -46.34 91.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.878 0.471 . . . . 51.240000000000002 110.872 173.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 66.3 mt -69.89 -39.16 76.43 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.781 0.833 . . . . 54.43 112.13 -176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -70.25 -30.06 67.02 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.277 1.031 . . . . 74.219999999999999 111.687 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t 61.62 86.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 C-N-CA 124.781 1.232 . . . . 70.219999999999999 110.964 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t . . . . . 0 CA--C 1.563 1.445 0 C-N-CA 123.759 0.824 . . . . 62.109999999999999 111.205 -175.248 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 110.4 -0.222 . . . . 71.239999999999995 110.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.82 73.11 0.05 OUTLIER Glycine 0 CA--C 1.533 1.166 0 N-CA-C 111.707 -0.557 . . . . 70.109999999999999 111.707 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -81.13 160.76 24.33 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.03 0.932 . . . . 72.400000000000006 111.828 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -159.38 144.08 15.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.272 0.629 . . . . 74.239999999999995 110.74 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -132.44 -176.78 4.2 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.297 1.039 . . . . 64.099999999999994 111.215 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -150.86 125.83 9.82 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.596 0.759 . . . . 72.219999999999999 110.463 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -101.88 116.64 33.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.629 0.772 . . . . 53.140000000000001 109.898 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -82.05 160.16 23.29 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.355 0.662 . . . . 74.230000000000004 110.939 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -68.16 157.66 34.89 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 123.62 0.768 . . . . 73.209999999999994 113.017 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -133.07 152.43 51.96 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.01 0.924 . . . . 74.239999999999995 111.254 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.4 mmt -77.47 157.21 30.59 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.408 0.683 . . . . 65.340000000000003 110.116 171.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.98 124.99 0.89 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 121.333 -0.461 . . . . 71.349999999999994 114.236 177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.2 67.92 0.45 Allowed Glycine 0 C--N 1.35 1.345 0 C-N-CA 123.377 0.513 . . . . 30.399999999999999 112.307 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.95 168.0 29.82 Favored Glycine 0 N--CA 1.474 1.227 0 C-N-CA 122.881 0.277 . . . . 65.140000000000001 112.95 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -156.69 160.63 39.51 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.947 0.499 . . . . 71.409999999999997 111.909 -177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.75 122.18 5.99 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-O 118.773 -1.015 . . . . 45.420000000000002 112.187 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.79 125.32 16.35 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 123.595 2.864 . . . . 62.119999999999997 113.441 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.2 113.71 26.11 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.757 0.823 . . . . 64.349999999999994 111.404 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.0 -44.47 14.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.117 0.967 . . . . 72.409999999999997 110.805 176.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 62.16 -159.4 0.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.79 1.236 . . . . 73.329999999999998 112.444 175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 73.17 131.61 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.107 0 C-N-CA 125.349 1.459 . . . . 72.140000000000001 112.496 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.09 96.03 0.22 Allowed 'Trans proline' 0 C--N 1.386 2.51 0 C-N-CA 122.928 2.419 . . . . 63.210000000000001 113.194 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -117.48 154.78 30.84 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.698 0.799 . . . . 73.430000000000007 111.369 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 t -76.98 -1.73 30.23 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.919 0.888 . . . . 65.099999999999994 112.012 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.41 -48.5 71.54 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 125.234 1.414 . . . . 73.340000000000003 111.622 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt 63.99 163.74 0.12 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 124.916 1.287 . . . . 62.119999999999997 112.928 -174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -168.94 126.56 0.99 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.178 -0.919 . . . . 73.430000000000007 109.901 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.41 -44.75 80.62 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.87 0.868 . . . . 71.019999999999996 111.922 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.626 ' HB2' HG22 ' B' ' 52' ' ' VAL . 17.6 ttm -62.97 -41.02 99.42 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.926 0.89 . . . . 73.530000000000001 112.439 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -61.39 -40.95 96.25 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.417 0.627 . . . . 63.32 111.167 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.59 -37.04 84.07 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 123.893 0.877 . . . . 74.430000000000007 110.903 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.6 m -66.0 -40.94 91.55 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.627 0.771 . . . . 62.409999999999997 111.755 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.74 -36.65 84.19 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.749 0.82 . . . . 74.099999999999994 112.042 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 t -59.78 -49.74 76.53 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.854 -0.612 . . . . 72.140000000000001 110.699 171.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HE ' HD13 ' B' ' 59' ' ' ILE . 62.5 mtp85 -60.78 -36.47 79.05 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.032 0.933 . . . . 73.239999999999995 113.373 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD22 ' B' ' 55' ' ' LEU . 82.0 mt -58.99 -54.17 50.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.536 0.334 . . . . 74.230000000000004 110.481 172.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -62.78 -20.31 64.87 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 123.612 0.765 . . . . 73.230000000000004 112.268 -178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.5 mm-40 -78.79 -35.44 44.37 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 122.971 0.509 . . . . 74.450000000000003 111.016 175.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HB3' HG21 ' B' ' 62' ' ' ILE . 95.2 mt -88.12 -12.94 42.6 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.783 0.833 . . . . 70.430000000000007 112.694 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 61' ' ' TYR . 49.8 t -102.89 101.3 20.2 Favored Pre-proline 0 N--CA 1.488 1.466 0 C-N-CA 123.418 0.687 . . . . 63.109999999999999 110.376 176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.38 -12.49 14.05 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 122.664 2.243 . . . . 63.539999999999999 112.928 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.62 54.22 4.79 Favored Glycine 0 N--CA 1.481 1.637 0 C-N-CA 123.32 0.486 . . . . 12.24 113.254 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -121.12 120.72 29.05 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.882 0.873 . . . . 72.099999999999994 110.281 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.88 119.58 6.82 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.622 2.215 . . . . 71.349999999999994 111.763 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -63.63 -34.63 78.25 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.634 0.774 . . . . 53.43 111.821 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.17 10.4 34.9 Favored Glycine 0 CA--C 1.544 1.875 0 N-CA-C 114.607 0.603 . . . . 75.540000000000006 114.607 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.7 m -103.58 -57.11 2.09 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 117.778 0.789 . . . . 73.420000000000002 111.535 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 62.91 106.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.285 1.034 . . . . 70.109999999999999 111.07 -169.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -83.17 138.1 33.78 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.274 -0.875 . . . . 74.219999999999999 112.585 -172.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -98.01 -177.56 3.79 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.153 -0.684 . . . . 32.049999999999997 109.153 163.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -46.95 -51.94 15.78 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.037 1.495 . . . . 73.420000000000002 115.037 -166.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' B' ' 29' ' ' MET . 36.5 t -71.18 -40.89 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 122.852 0.461 . . . . 71.219999999999999 111.531 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -66.14 -28.01 68.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.33 0.652 . . . . 73.450000000000003 111.776 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 58' ' ' VAL . 73.4 mt -62.11 -52.42 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 122.608 0.363 . . . . 71.109999999999999 110.161 171.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD22 HD11 ' B' ' 36' ' ' LEU . 95.8 mt -52.64 -45.42 66.66 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.631 0.773 . . . . 44.140000000000001 112.19 178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.455 HE21 HG12 ' A' ' 52' ' ' VAL . 78.9 mt-30 -58.25 -51.97 67.56 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.183 -0.917 . . . . 72.409999999999997 111.578 177.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -66.93 -24.63 66.11 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.569 0.748 . . . . 62.219999999999999 112.652 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.7 t -68.28 -46.32 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.625 0.37 . . . . 62.200000000000003 110.044 172.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt -60.34 -44.35 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 122.884 0.474 . . . . 63.43 110.32 176.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -59.76 -42.15 92.6 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.016 0.926 . . . . 75.329999999999998 112.006 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.582 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.1 t80 -57.98 -46.91 84.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.623 0.769 . . . . 74.109999999999999 111.45 174.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 71.2 mt -65.74 -35.51 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 CA-C-N 115.766 -0.652 . . . . 72.099999999999994 110.4 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 91.4 mt -59.46 -41.43 89.68 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.216 0.606 . . . . 62.149999999999999 111.739 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.59 -34.59 67.32 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.61 0.764 . . . . 74.340000000000003 111.851 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 mt -83.81 -33.1 25.01 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.579 0.751 . . . . 72.109999999999999 112.405 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 77.4 mm-40 -85.85 -70.26 0.61 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.305 0.642 . . . . 73.109999999999999 111.822 -176.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.5 150.24 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 123.215 0.606 . . . . 61.329999999999998 111.791 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.489 1.479 0 C-N-CA 124.087 0.955 . . . . 63.210000000000001 109.155 176.508 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.35 0.119 . . . . 74.319999999999993 111.258 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.67 131.01 21.11 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 111.202 -0.759 . . . . 24.530000000000001 111.202 168.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -67.22 95.42 0.42 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 75.219999999999999 111.811 -176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -121.99 131.21 53.88 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.77 0.828 . . . . 74.209999999999994 109.606 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -78.88 -14.79 59.03 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.219 0.608 . . . . 72.349999999999994 111.684 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -64.05 137.06 57.81 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.979 0.911 . . . . 71.540000000000006 111.925 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 56.14 89.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.754 1.222 . . . . 62.219999999999999 112.754 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.85 108.74 20.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.905 -0.776 . . . . 75.049999999999997 108.905 167.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -67.51 139.4 56.99 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.241 0.617 . . . . 62.539999999999999 111.35 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -146.15 128.36 15.73 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.916 0.886 . . . . 75.349999999999994 110.114 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 16.5 tpt -75.47 143.29 42.67 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.638 0.775 . . . . 64.400000000000006 112.494 -169.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.29 -131.58 3.06 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.888 0.756 . . . . 73.519999999999996 111.652 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.62 55.55 4.54 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 116.875 0.337 . . . . 44.0 113.427 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.06 7.02 83.13 Favored Glycine 0 CA--C 1.543 1.837 0 N-CA-C 114.613 0.605 . . . . 74.219999999999999 114.613 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -98.62 134.41 41.6 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.897 0.879 . . . . 61.439999999999998 110.303 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.57 104.68 2.73 Favored Glycine 0 CA--C 1.546 2.018 0 CA-C-O 119.284 -0.731 . . . . 43.229999999999997 112.105 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -80.96 160.05 20.99 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.046 2.497 . . . . 71.430000000000007 113.345 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.36 78.95 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.326 0.651 . . . . 73.040000000000006 110.523 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.89 133.45 33.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.333 0.653 . . . . 72.239999999999995 110.941 -175.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -174.47 3.48 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.102 0.961 . . . . 72.030000000000001 112.277 -176.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.7 119.6 47.35 Favored Pre-proline 0 CA--C 1.556 1.174 0 CA-C-N 115.597 -0.729 . . . . 60.210000000000001 109.577 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.24 93.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 122.932 2.422 . . . . 65.299999999999997 113.493 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.7 mt -76.7 119.57 20.68 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.449 0.7 . . . . 71.549999999999997 111.953 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -126.05 -62.65 1.16 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.439 -0.949 . . . . 44.229999999999997 108.439 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp -107.21 107.62 18.66 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.444 0.698 . . . . 75.340000000000003 109.726 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -87.29 96.54 10.38 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 108.004 -1.11 . . . . 70.109999999999999 108.004 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.56 109.73 0.97 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.036 0.534 . . . . 74.299999999999997 111.25 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -50.41 -38.24 41.97 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 114.898 -1.046 . . . . 61.119999999999997 110.667 169.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.496 ' HB2' HG22 ' A' ' 52' ' ' VAL . 21.9 ttm -53.78 -50.85 65.17 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.528 1.131 . . . . 62.0 112.451 170.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.26 -41.33 90.07 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.439 0.696 . . . . 73.329999999999998 111.167 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -67.09 -40.8 87.02 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 123.321 0.648 . . . . 45.340000000000003 110.978 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 87.9 m -64.72 -39.67 94.04 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.827 0.851 . . . . 61.109999999999999 111.781 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.57 -43.58 89.44 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.931 0.892 . . . . 74.420000000000002 112.034 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 39.5 m -58.87 -44.11 90.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.23 -0.896 . . . . 62.439999999999998 110.801 176.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -34.07 73.3 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.498 0.719 . . . . 63.119999999999997 111.694 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 55' ' ' LEU . 81.4 mt -57.21 -52.18 66.36 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 110.217 173.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -53.21 -30.89 40.31 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.589 1.156 . . . . 72.510000000000005 112.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 34' ' ' SER . 27.7 mm-40 -78.25 -38.98 41.61 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.005 0.522 . . . . 72.230000000000004 110.87 -177.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.02 -17.85 56.59 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.501 0.72 . . . . 64.209999999999994 111.943 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.474 HG13 ' HB2' ' B' ' 61' ' ' TYR . 54.3 t -97.88 107.68 41.78 Favored Pre-proline 0 N--CA 1.488 1.47 0 C-N-CA 123.471 0.708 . . . . 71.319999999999993 111.473 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.92 -14.42 26.5 Favored 'Trans proline' 0 C--N 1.382 2.31 0 C-N-CA 122.688 2.259 . . . . 64.200000000000003 112.665 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.05 -22.16 70.36 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 114.483 0.553 . . . . 52.310000000000002 114.483 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.93 123.0 85.02 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 123.167 0.587 . . . . 73.430000000000007 110.69 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.31 97.1 0.24 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.634 2.222 . . . . 62.439999999999998 111.963 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 58.42 -161.8 0.24 Allowed 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 124.362 1.065 . . . . 75.439999999999998 111.894 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -83.49 48.08 3.96 Favored Glycine 0 CA--C 1.542 1.747 0 O-C-N 121.775 -0.578 . . . . 73.109999999999999 113.298 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 86.0 m -79.85 137.38 36.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.458 0.703 . . . . 54.439999999999998 111.052 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -79.23 82.33 5.4 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.565 0.746 . . . . 72.109999999999999 109.784 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.96 163.09 28.22 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.628 -0.715 . . . . 42.140000000000001 110.677 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -62.14 141.13 58.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 109.495 -0.557 . . . . 45.509999999999998 109.495 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.96 -32.68 21.74 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.507 0.723 . . . . 72.430000000000007 112.542 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 29' ' ' MET . 14.0 t -71.06 -44.55 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.604 0.762 . . . . 70.329999999999998 111.226 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.22 -30.29 71.17 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.345 0.658 . . . . 73.030000000000001 111.392 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.481 ' O ' HG23 ' B' ' 58' ' ' VAL . 75.0 mt -64.93 -49.07 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.497 0.719 . . . . 65.230000000000004 109.924 172.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 36' ' ' LEU . 96.5 mt -53.57 -49.64 67.29 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.214 0.606 . . . . 61.5 111.663 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' B' ' 59' ' ' ILE . 79.9 mt-30 -64.35 -32.57 74.24 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.476 1.11 . . . . 75.010000000000005 112.29 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -74.15 -29.31 61.73 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.0 0.52 . . . . 75.420000000000002 110.95 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 54' ' ' ILE . 91.7 t -72.09 -41.12 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.284 0.634 . . . . 63.100000000000001 110.169 172.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 56' ' ' GLN . 87.2 mt -58.98 -44.65 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 C-N-CA 123.424 0.69 . . . . 73.439999999999998 110.21 173.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.39 -48.55 78.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.32 1.048 . . . . 73.420000000000002 111.315 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.474 ' HB2' HG13 ' B' ' 40' ' ' VAL . 55.6 t80 -56.59 -48.46 77.36 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.776 1.23 . . . . 71.510000000000005 111.846 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.577 HG21 ' HB3' ' A' ' 39' ' ' LEU . 73.7 mt -71.18 -37.82 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.358 0 C-N-CA 123.12 0.568 . . . . 74.25 111.455 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.19 -33.2 75.26 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.371 0.668 . . . . 61.020000000000003 111.681 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -70.49 -30.82 67.71 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.722 0.809 . . . . 60.210000000000001 111.173 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 89.6 mt -79.64 -43.96 21.85 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.433 0.693 . . . . 62.020000000000003 111.657 175.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -84.84 -166.42 1.48 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.287 1.035 . . . . 73.420000000000002 110.964 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.48 127.84 27.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.653 -0.499 . . . . 64.0 109.653 167.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.571 1.784 0 N-CA-C 113.319 0.859 . . . . 52.030000000000001 113.319 -177.031 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.667 0.27 . . . . 72.230000000000004 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 -87.79 1.1 Allowed Glycine 0 CA--C 1.539 1.563 0 CA-C-N 116.717 -0.22 . . . . 64.340000000000003 112.848 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -91.37 107.78 19.44 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.677 0.791 . . . . 64.010000000000005 111.008 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -83.01 152.41 25.42 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.389 0.676 . . . . 71.230000000000004 111.386 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -124.53 167.1 14.92 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.731 0.812 . . . . 64.420000000000002 111.748 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -145.48 127.03 15.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.916 0.887 . . . . 75.109999999999999 109.985 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -161.53 125.16 3.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.454 0.701 . . . . 53.350000000000001 110.012 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -102.19 -35.82 8.75 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.69 0.796 . . . . 71.409999999999997 112.162 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -70.17 99.25 1.47 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.326 0.65 . . . . 53.299999999999997 111.242 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -109.44 12.89 24.36 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.137 0.575 . . . . 64.129999999999995 112.364 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.4 ptp -140.42 141.06 35.54 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.391 0.677 . . . . 61.340000000000003 111.166 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.26 32.76 3.76 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 114.353 0.501 . . . . 75.400000000000006 114.353 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.58 -25.54 46.29 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-N 116.735 0.268 . . . . 73.450000000000003 112.77 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.47 127.2 8.99 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 123.018 0.342 . . . . 74.299999999999997 112.739 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -154.83 178.43 10.15 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 75.519999999999996 112.059 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.65 29.96 Favored Glycine 0 CA--C 1.54 1.65 0 CA-C-N 115.697 -0.683 . . . . 52.049999999999997 112.316 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.85 89.52 1.0 Allowed 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 122.564 2.176 . . . . 54.109999999999999 112.5 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.11 112.99 26.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.714 0.806 . . . . 61.409999999999997 110.404 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 69.26 149.39 0.07 Allowed 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.892 1.277 . . . . 72.420000000000002 113.333 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -158.1 178.88 9.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.375 0.67 . . . . 74.049999999999997 111.709 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -84.71 149.06 53.15 Favored Pre-proline 0 N--CA 1.485 1.297 0 C-N-CA 123.533 0.733 . . . . 53.119999999999997 111.177 -177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.25 -170.35 0.96 Allowed 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.734 2.289 . . . . 64.120000000000005 112.139 175.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.06 -38.7 82.74 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 122.394 -0.191 . . . . 42.240000000000002 111.188 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m 63.95 99.56 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.928 1.291 . . . . 63.140000000000001 111.103 -177.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 tt -53.59 -65.4 0.57 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.591 1.156 . . . . 63.119999999999997 111.328 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -106.34 139.96 40.01 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 108.895 -0.78 . . . . 73.030000000000001 108.895 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.73 29.14 0.13 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.02 0.928 . . . . 74.329999999999998 113.017 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.65 -39.88 71.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.937 0.895 . . . . 61.340000000000003 111.916 -172.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 32.1 ttm -58.68 -45.16 90.02 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 123.953 0.901 . . . . 75.450000000000003 112.003 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -64.81 -44.19 90.72 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.41 0.684 . . . . 75.019999999999996 111.322 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.98 -40.83 97.28 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.224 0.61 . . . . 72.400000000000006 111.232 175.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 80.0 m -62.56 -42.38 99.5 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.683 0.793 . . . . 70.230000000000004 111.931 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -69.02 -35.98 77.26 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.527 0.731 . . . . 72.239999999999995 112.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 m -64.26 -42.31 96.54 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.42 0.628 . . . . 64.040000000000006 110.376 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -31.74 69.51 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.074 1.349 . . . . 74.239999999999995 111.266 -177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 32' ' ' CYS . 78.4 mt -62.51 -49.07 76.82 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.135 0.574 . . . . 34.219999999999999 109.728 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -61.91 -17.86 58.21 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 112.92 0.711 . . . . 75.319999999999993 112.92 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -84.4 -39.86 18.51 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.021 0.439 . . . . 73.340000000000003 110.205 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' B' ' 62' ' ' ILE . 93.1 mt -80.25 -23.49 40.79 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.419 0.688 . . . . 73.140000000000001 112.721 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.5 t -94.17 109.94 45.29 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.626 0.77 . . . . 64.049999999999997 111.271 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.56 75.66 4.93 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.805 2.337 . . . . 45.229999999999997 111.79 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.22 13.3 0.04 OUTLIER Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.449 -0.796 . . . . 51.210000000000001 114.353 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 HD12 ' A' ' 49' ' ' LEU . 61.6 t -96.02 114.85 64.99 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 123.583 0.753 . . . . 72.219999999999999 109.585 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 51.1 Cg_exo -54.62 152.78 26.13 Favored 'Trans proline' 0 CA--C 1.566 2.091 0 C-N-CA 122.97 2.447 . . . . 70.530000000000001 114.846 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.28 105.44 4.68 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.296 0.638 . . . . 74.040000000000006 111.916 -175.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.58 39.47 29.83 Favored Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.147 -0.478 . . . . 62.039999999999999 113.059 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 7.3 t -84.85 -32.12 23.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.166 0.586 . . . . 72.099999999999994 112.133 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 58.0 47.73 14.39 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.123 0.969 . . . . 72.120000000000005 111.834 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD12 HG13 ' A' ' 43' ' ' VAL . 78.4 mt -56.63 122.23 11.57 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 122.435 0.294 . . . . 65.239999999999995 110.736 174.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 t -74.89 177.44 6.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.898 0.38 . . . . 55.420000000000002 111.196 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -49.27 -44.65 44.04 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.307 1.443 . . . . 73.140000000000001 114.15 -166.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.61 HG22 ' HG2' ' B' ' 29' ' ' MET . 21.4 t -72.63 -43.96 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 122.852 0.461 . . . . 74.310000000000002 111.771 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.35 -29.79 70.71 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.324 0.649 . . . . 73.319999999999993 112.42 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 75.0 mt -63.92 -47.4 90.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 122.918 0.487 . . . . 75.519999999999996 110.61 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' B' ' 36' ' ' LEU . 99.4 mt -56.15 -39.47 72.35 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.197 0.599 . . . . 75.409999999999997 111.978 176.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.87 -43.14 99.45 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 123.57 0.748 . . . . 74.310000000000002 111.19 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HB3' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -67.71 -33.43 74.89 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 123.716 0.806 . . . . 72.140000000000001 111.994 176.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' B' ' 58' ' ' VAL . 91.0 t -65.4 -40.99 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 122.631 0.372 . . . . 74.030000000000001 110.502 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 86.8 mt -58.46 -50.66 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 122.927 0.491 . . . . 62.409999999999997 110.206 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -50.41 -50.82 50.71 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.676 0.79 . . . . 72.239999999999995 111.714 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.484 ' HB2' HG13 ' A' ' 40' ' ' VAL . 48.6 t80 -57.49 -55.63 32.34 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.993 0.917 . . . . 72.040000000000006 112.33 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.585 HG22 HE21 ' A' ' 66' ' ' GLN . 42.5 mt -68.66 -26.44 33.11 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 C-N-CA 122.855 0.462 . . . . 73.219999999999999 111.902 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.66 -49.76 76.48 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.007 0.523 . . . . 72.049999999999997 112.143 171.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.55 -31.22 71.97 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.383 0.673 . . . . 75.219999999999999 112.803 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -71.11 -40.2 71.61 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.383 0.611 . . . . 65.140000000000001 111.152 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.585 HE21 HG22 ' A' ' 62' ' ' ILE . 43.5 mt-30 -99.59 -160.8 0.83 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.257 -0.883 . . . . 72.450000000000003 110.567 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.74 131.48 34.56 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 CA-C-O 121.078 0.466 . . . . 62.200000000000003 109.876 165.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 CA--C 1.564 1.499 0 C-N-CA 123.544 0.737 . . . . 65.519999999999996 111.009 -177.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.283 0.563 . . . . 71.5 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.17 58.58 0.24 Allowed Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.042 -0.526 . . . . 64.540000000000006 112.25 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -92.73 -49.74 5.93 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.37 1.068 . . . . 54.119999999999997 112.339 -176.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -154.11 -20.32 0.13 Allowed 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 113.579 0.955 . . . . 72.219999999999999 113.579 -172.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.31 -25.99 68.29 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 113.25 0.833 . . . . 63.240000000000002 113.25 -172.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -86.13 128.87 34.96 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.33 0.652 . . . . 73.430000000000007 111.596 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -118.61 96.11 5.14 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.513 0.725 . . . . 72.099999999999994 110.781 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -107.21 125.17 50.77 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.74 0.816 . . . . 63.310000000000002 110.751 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p -144.82 143.37 30.6 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.224 0.609 . . . . 72.329999999999998 111.151 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -139.33 115.63 10.46 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.847 0.859 . . . . 71.109999999999999 110.32 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 63.7 mtt -73.74 124.47 26.1 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.802 0.441 . . . . 71.310000000000002 110.693 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.36 -51.13 3.35 Favored Glycine 0 C--N 1.347 1.151 0 N-CA-C 111.959 -0.456 . . . . 75.120000000000005 111.959 -171.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.23 -23.0 73.09 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 114.198 0.439 . . . . 62.130000000000003 114.198 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.5 -21.76 78.68 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 114.282 0.473 . . . . 45.32 114.282 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -69.86 103.48 2.22 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.551 0.74 . . . . 61.32 111.852 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.46 159.62 10.22 Favored Glycine 0 CA--C 1.544 1.873 0 CA-C-O 119.926 -0.374 . . . . 41.140000000000001 113.874 174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -90.11 -178.77 1.62 Allowed 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.442 2.761 . . . . 64.299999999999997 113.34 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.03 172.0 19.15 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.16 0.584 . . . . 43.420000000000002 111.67 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 67.58 -178.05 0.21 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.676 1.19 . . . . 64.150000000000006 112.943 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -92.06 -172.1 3.04 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.745 0.818 . . . . 65.219999999999999 111.3 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 126.48 92.66 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 123.201 0.6 . . . . 75.209999999999994 111.203 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -65.21 135.97 45.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.375 2.05 . . . . 63.439999999999998 111.303 170.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 74.7 mt 70.12 154.1 0.12 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 124.695 1.198 . . . . 73.340000000000003 111.515 -169.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 18.1 m 67.58 158.69 0.14 Allowed 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 124.697 1.199 . . . . 34.409999999999997 112.165 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.1 145.05 51.38 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.43 0.692 . . . . 75.510000000000005 110.806 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.75 75.11 10.36 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.433 0.693 . . . . 61.140000000000001 110.495 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.81 82.2 7.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.348 -0.842 . . . . 74.310000000000002 109.918 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.53 -35.05 39.08 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.281 1.032 . . . . 65.129999999999995 111.438 172.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.61 ' HG2' HG22 ' A' ' 52' ' ' VAL . 5.1 mtp -60.77 -48.52 81.43 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.284 -0.871 . . . . 74.219999999999999 111.811 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -66.72 -31.8 72.69 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.429 0.692 . . . . 72.109999999999999 111.557 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -67.77 -39.24 84.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.654 0.381 . . . . 73.099999999999994 111.356 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.08 -44.97 75.08 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.226 0.61 . . . . 71.400000000000006 111.234 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -59.41 -37.87 79.13 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.553 1.141 . . . . 73.439999999999998 111.805 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -63.42 -43.95 95.99 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.476 0.71 . . . . 42.140000000000001 110.955 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 ttp-105 -69.82 -30.61 68.17 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.054 0.542 . . . . 63.25 111.731 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 55' ' ' LEU . 90.7 mt -62.37 -44.14 97.16 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.165 -0.309 . . . . 53.219999999999999 110.165 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.476 HH12 ' HB2' ' B' ' 57' ' ' ARG . 0.0 OUTLIER -68.91 -7.59 36.31 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 112.901 0.704 . . . . 62.240000000000002 112.901 177.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -93.47 -39.13 11.05 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.465 0.706 . . . . 71.430000000000007 110.134 173.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.67 -11.18 54.44 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.362 -0.836 . . . . 70.430000000000007 112.799 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.49 94.9 24.46 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 123.333 0.653 . . . . 61.229999999999997 111.112 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.23 -5.11 16.6 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.677 2.251 . . . . 74.439999999999998 113.019 164.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.37 56.39 4.41 Favored Glycine 0 C--N 1.359 1.827 0 CA-C-O 121.395 0.441 . . . . 74.510000000000005 112.866 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 49' ' ' LEU . 74.4 t -131.73 126.07 20.74 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 124.973 1.309 . . . . 72.319999999999993 109.156 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.37 135.57 68.75 Favored 'Trans proline' 0 C--N 1.38 2.187 0 C-N-CA 122.581 2.187 . . . . 73.239999999999995 112.277 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -69.14 146.83 52.16 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.142 0.577 . . . . 65.400000000000006 111.743 -176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.11 42.17 98.17 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-N 116.35 -0.386 . . . . 71.040000000000006 113.333 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -135.19 116.46 14.5 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.32 0.648 . . . . 72.450000000000003 111.128 -175.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -85.06 114.38 22.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.594 0.757 . . . . 53.25 110.147 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 43' ' ' VAL . 84.6 mt -96.18 122.5 39.1 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.967 0.507 . . . . 75.430000000000007 111.784 -176.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.4 m -78.63 174.91 10.9 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.702 0.801 . . . . 70.030000000000001 110.614 173.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -49.46 -51.4 36.0 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.91 1.448 . . . . 71.420000000000002 114.91 -172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -71.73 -40.65 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 122.586 0.354 . . . . 72.030000000000001 110.527 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.41 -37.57 67.8 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.938 0.895 . . . . 71.209999999999994 111.813 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.15 -51.32 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 123.481 0.712 . . . . 63.509999999999998 111.065 175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.93 -44.15 78.05 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.028 0.931 . . . . 64.140000000000001 111.967 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -62.82 -41.96 99.53 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.943 0.897 . . . . 72.549999999999997 111.64 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.476 ' HB2' HH12 ' B' ' 37' ' ' ARG . 1.7 mmp_? -71.91 -29.76 64.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.782 0.833 . . . . 72.120000000000005 112.184 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.477 HG11 HG11 ' A' ' 58' ' ' VAL . 55.6 t -68.28 -52.93 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.713 0.405 . . . . 52.420000000000002 110.222 174.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.34 -47.93 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 123.612 0.765 . . . . 64.430000000000007 111.131 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -57.44 -42.99 83.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.606 0.763 . . . . 72.049999999999997 111.916 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.45 -46.31 89.11 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.988 0.915 . . . . 74.219999999999999 112.105 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 39' ' ' LEU . 82.3 mt -64.72 -40.01 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 122.925 0.49 . . . . 73.420000000000002 110.918 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.94 -31.82 72.66 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.439 0.696 . . . . 64.400000000000006 111.436 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.05 -32.84 74.76 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.427 0.691 . . . . 74.519999999999996 111.158 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -83.76 -41.39 17.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.057 0.543 . . . . 55.039999999999999 112.325 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -79.06 -58.57 3.17 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.246 0.619 . . . . 62.030000000000001 111.327 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.43 85.75 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 122.119 0.962 . . . . 75.129999999999995 110.377 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.567 1.598 0 CA-C-N 114.596 -1.183 . . . . 55.149999999999999 110.195 176.79 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.354 0.121 . . . . 71.549999999999997 110.684 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.04 138.03 13.71 Favored Glycine 0 N--CA 1.474 1.206 0 CA-C-O 119.896 -0.391 . . . . 51.229999999999997 112.562 175.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.11 81.93 6.27 Favored 'General case' 0 CA--C 1.555 1.172 0 CA-C-O 121.648 0.737 . . . . 72.299999999999997 111.063 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -134.37 170.48 15.67 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.364 1.065 . . . . 74.299999999999997 110.156 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -85.59 92.37 8.53 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.242 0.617 . . . . 71.5 109.74 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -72.55 94.33 1.68 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.337 0.589 . . . . 65.219999999999999 111.9 -173.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -126.37 97.4 5.04 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.914 0.886 . . . . 73.150000000000006 109.548 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.63 98.42 1.16 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.958 0.503 . . . . 75.530000000000001 109.86 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 m -82.89 127.72 33.76 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.176 0.591 . . . . 74.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -152.98 126.9 8.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.829 0.852 . . . . 71.329999999999998 110.405 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.6 mtt -131.91 168.16 18.35 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.619 0.768 . . . . 73.439999999999998 110.703 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.44 115.52 0.64 Allowed Glycine 0 CA--C 1.536 1.386 0 CA-C-O 120.083 -0.287 . . . . 71.25 112.388 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.3 52.32 0.06 OUTLIER Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.08 0.371 . . . . 60.210000000000001 112.538 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.04 167.38 45.62 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 122.784 0.23 . . . . 52.130000000000003 113.535 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -149.0 150.86 33.54 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.676 0.79 . . . . 74.25 110.626 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.45 -164.52 25.72 Favored Glycine 0 CA--C 1.543 1.835 0 CA-C-O 119.965 -0.353 . . . . 74.230000000000004 113.87 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.06 162.49 20.49 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.873 2.382 . . . . 75.019999999999996 113.171 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.76 106.06 0.95 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.832 0.853 . . . . 62.439999999999998 110.007 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -140.62 138.44 34.38 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.33 0.652 . . . . 53.039999999999999 111.461 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 67.51 134.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.702 1.601 . . . . 74.230000000000004 113.549 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.52 113.65 64.45 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 123.849 0.86 . . . . 73.340000000000003 110.251 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -87.28 133.83 3.39 Favored 'Trans proline' 0 C--N 1.37 1.662 0 C-N-CA 122.837 2.358 . . . . 71.430000000000007 113.085 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 27' ' ' ASP . 66.3 mt 69.15 130.43 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 124.999 1.319 . . . . 73.150000000000006 112.986 172.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.8 t -149.97 -54.53 0.16 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.925 -0.485 . . . . 75.099999999999994 112.057 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.86 -67.11 0.78 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.164 0.586 . . . . 71.549999999999997 110.189 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -108.45 94.98 5.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.635 0.774 . . . . 64.219999999999999 109.443 171.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HA ' ' HB3' ' A' ' 23' ' ' LEU . 2.3 m-20 -73.2 112.31 9.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.7 0.8 . . . . 65.140000000000001 109.587 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -52.6 -40.14 62.37 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.342 1.057 . . . . 72.120000000000005 111.875 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' HG22 ' B' ' 52' ' ' VAL . 21.7 ttm -59.38 -47.16 86.48 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.645 0.778 . . . . 74.310000000000002 112.18 173.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.03 -43.07 96.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.454 0.702 . . . . 63.119999999999997 110.966 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.72 -37.45 79.48 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.76 0.824 . . . . 72.430000000000007 111.595 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 74.1 m -64.9 -40.1 94.55 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.387 0.675 . . . . 64.319999999999993 111.363 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -62.62 -41.43 99.0 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.726 0.81 . . . . 73.519999999999996 112.135 174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.9 m -58.8 -48.06 82.58 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.349 0.66 . . . . 64.409999999999997 110.929 173.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -66.47 -34.84 78.83 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 124.075 0.95 . . . . 70.219999999999999 112.433 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . 52.9 mt -59.75 -55.02 39.55 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.168 0.587 . . . . 53.219999999999999 110.345 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -34.98 68.01 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.331 1.052 . . . . 73.420000000000002 110.423 -177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.11 -39.25 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.63 0.772 . . . . 75.439999999999998 111.565 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.03 -13.87 61.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.799 0.84 . . . . 71.200000000000003 112.174 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 57' ' ' ARG . 57.0 t -101.88 109.48 59.79 Favored Pre-proline 0 CA--C 1.564 1.487 0 C-N-CA 123.708 0.803 . . . . 75.120000000000005 111.779 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.32 -16.63 15.27 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 123.171 2.581 . . . . 73.439999999999998 112.965 170.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 55.07 5.0 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 123.373 0.511 . . . . 70.430000000000007 113.585 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.44 132.34 24.28 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.898 1.279 . . . . 63.299999999999997 108.978 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.2 122.51 11.68 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.607 2.205 . . . . 41.509999999999998 112.02 176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -58.87 124.3 19.36 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.678 0.791 . . . . 74.540000000000006 111.12 -177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.62 -2.48 73.51 Favored Glycine 0 N--CA 1.477 1.384 0 N-CA-C 114.329 0.492 . . . . 64.109999999999999 114.329 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.1 m -95.86 126.15 40.91 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.452 0.701 . . . . 53.340000000000003 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -71.42 -31.12 66.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.654 0.782 . . . . 74.109999999999999 111.993 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt 67.01 -171.92 0.19 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.762 1.225 . . . . 72.400000000000006 112.312 -176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.648 ' H ' ' HB2' ' A' ' 53' ' ' GLU . 61.9 m -132.52 175.47 9.27 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.831 1.252 . . . . 74.319999999999993 110.501 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -57.79 -47.36 82.79 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 123.644 0.778 . . . . 73.409999999999997 111.957 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.644 HG22 ' HG2' ' B' ' 29' ' ' MET . 5.1 t -71.94 -39.38 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 115.57 -0.741 . . . . 74.349999999999994 111.009 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.648 ' HB2' ' H ' ' A' ' 50' ' ' SER . 42.3 mm-40 -53.13 -48.66 67.72 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.778 0.831 . . . . 73.0 112.084 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -58.11 -45.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 73.510000000000005 111.486 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 HD11 ' B' ' 36' ' ' LEU . 94.4 mt -51.28 -49.05 62.01 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.798 0.439 . . . . 72.420000000000002 111.687 172.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -61.28 -45.64 93.65 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.583 0.753 . . . . 72.030000000000001 111.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.671 ' HB3' HG11 ' A' ' 40' ' ' VAL . 30.2 mmt180 -59.64 -36.91 77.31 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.975 0.91 . . . . 74.510000000000005 111.334 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' B' ' 58' ' ' VAL . 94.1 t -69.48 -42.67 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.564 0.746 . . . . 74.519999999999996 111.479 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.556 HD13 ' HE ' ' B' ' 35' ' ' ARG . 88.2 mt -58.16 -50.75 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 122.92 0.488 . . . . 64.549999999999997 110.262 176.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -62.16 -36.02 80.57 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.774 0.83 . . . . 74.439999999999998 112.49 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -59.1 -48.48 81.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.582 0.753 . . . . 72.5 111.4 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.58 HG21 ' HB3' ' B' ' 39' ' ' LEU . 55.0 mt -73.34 -35.88 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.096 -0.502 . . . . 73.310000000000002 110.841 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.7 mt -58.81 -33.88 70.87 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.275 0.63 . . . . 74.040000000000006 111.67 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.42 -37.64 88.23 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 123.677 0.791 . . . . 73.310000000000002 111.025 174.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 mt -79.24 -32.92 43.95 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.749 0.819 . . . . 72.230000000000004 112.159 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.25 143.82 29.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.855 0.862 . . . . 73.040000000000006 111.291 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t 62.03 105.18 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 125.54 1.536 . . . . 73.430000000000007 112.726 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.563 1.47 0 C-N-CA 123.297 0.639 . . . . 64.019999999999996 110.099 175.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.496 0.188 . . . . 72.129999999999995 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.89 36.78 0.09 OUTLIER Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.558 -0.292 . . . . 70.420000000000002 113.742 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.87 100.31 4.76 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.009 0.524 . . . . 75.319999999999993 110.403 176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -156.72 149.39 23.6 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.353 0.661 . . . . 72.129999999999995 110.576 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -78.97 94.75 5.31 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.942 0.897 . . . . 74.530000000000001 110.38 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -155.69 103.28 2.26 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 123.467 0.707 . . . . 71.519999999999996 110.746 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -86.9 -8.42 57.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.813 0.845 . . . . 72.510000000000005 112.282 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -83.11 8.17 13.82 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.549 0.74 . . . . 73.209999999999994 112.708 -173.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.418 ' HA ' ' SD ' ' B' ' 11' ' ' MET . 52.7 m -65.83 82.29 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.034 0.934 . . . . 64.120000000000005 111.358 174.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -139.08 33.22 2.14 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.57 1.148 . . . . 62.420000000000002 109.944 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . 0.418 ' SD ' ' HA ' ' B' ' 9' ' ' SER . 1.7 mpt? -75.08 110.61 9.53 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.812 0.845 . . . . 62.329999999999998 111.236 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.87 173.72 17.03 Favored Glycine 0 N--CA 1.476 1.338 0 CA-C-N 116.494 -0.321 . . . . 73.230000000000004 112.97 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.52 -105.31 0.19 Allowed Glycine 0 CA--C 1.531 1.057 0 CA-C-O 119.939 -0.367 . . . . 52.329999999999998 112.292 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.44 34.36 68.23 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.913 0.356 . . . . 71.099999999999994 113.312 -176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -88.99 50.34 1.94 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.751 0.82 . . . . 72.530000000000001 111.533 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.63 63.19 4.23 Favored Glycine 0 CA--C 1.546 2.016 0 CA-C-N 115.48 -0.782 . . . . 64.540000000000006 113.431 -173.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.65 98.7 1.07 Allowed 'Trans proline' 0 C--N 1.38 2.195 0 C-N-CA 122.673 2.249 . . . . 54.549999999999997 112.906 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 173.36 9.16 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.597 -0.729 . . . . 61.130000000000003 112.181 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 72.07 -64.51 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 125.368 1.467 . . . . 73.519999999999996 111.513 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -63.96 -16.01 60.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 124.125 0.97 . . . . 65.319999999999993 113.3 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -65.97 144.57 98.86 Favored Pre-proline 0 CA--C 1.564 1.507 0 C-N-CA 123.421 0.688 . . . . 64.329999999999998 110.525 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.44 118.34 5.2 Favored 'Trans proline' 0 C--N 1.382 2.336 0 C-N-CA 122.836 2.357 . . . . 34.109999999999999 112.555 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.05 134.23 37.98 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.581 0.752 . . . . 40.520000000000003 111.434 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.5 p -88.53 8.39 28.37 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.035 0.934 . . . . 72.120000000000005 112.573 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.0 mt 65.62 -179.58 0.19 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 125.012 1.325 . . . . 71.340000000000003 113.185 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -151.63 -58.67 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 108.251 -1.018 . . . . 72.319999999999993 108.251 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 63.47 112.6 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.233 1.413 . . . . 70.239999999999995 112.339 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.97 -34.38 69.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.169 0.988 . . . . 62.420000000000002 112.003 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.644 ' HG2' HG22 ' A' ' 52' ' ' VAL . 48.3 mtp -68.71 -39.85 80.26 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.788 0.435 . . . . 73.540000000000006 111.243 176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.16 -28.65 64.42 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.222 0.609 . . . . 74.340000000000003 110.641 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -61.59 -44.57 96.77 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.434 0.694 . . . . 74.430000000000007 110.374 170.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.48 -38.26 84.12 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.396 0.679 . . . . 73.120000000000005 112.102 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.62 -35.23 80.33 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.918 0.887 . . . . 61.530000000000001 112.096 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.3 t -63.26 -46.24 87.79 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.108 0.563 . . . . 62.329999999999998 110.744 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.556 ' HE ' HD13 ' A' ' 59' ' ' ILE . 13.6 mtp180 -61.88 -34.37 75.89 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.871 0.869 . . . . 72.239999999999995 112.772 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 55' ' ' LEU . 88.6 mt -60.34 -54.26 47.75 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.733 0.413 . . . . 71.349999999999994 110.38 171.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -66.35 -12.16 55.23 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.6 0.963 . . . . 75.340000000000003 113.6 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -87.91 -29.38 20.89 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 120.924 0.393 . . . . 75.439999999999998 111.048 174.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 62' ' ' ILE . 88.1 mt -96.33 -5.45 39.98 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.243 1.017 . . . . 54.130000000000003 112.779 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 61' ' ' TYR . 62.1 t -111.34 97.69 36.83 Favored Pre-proline 0 CA--C 1.559 1.295 0 C-N-CA 123.063 0.545 . . . . 63.350000000000001 110.959 177.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -82.63 -5.59 11.63 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.146 2.564 . . . . 53.210000000000001 113.115 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.37 50.08 4.34 Favored Glycine 0 C--N 1.359 1.849 0 C-N-CA 123.08 0.371 . . . . 43.5 112.782 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.473 HG23 HG12 ' B' ' 40' ' ' VAL . 95.0 t -129.68 135.43 27.51 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.727 1.211 . . . . 74.450000000000003 109.412 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.01 124.78 16.43 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.454 2.103 . . . . 71.420000000000002 111.098 170.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' B' ' 45' ' ' ARG . 6.3 mpt_? -75.34 130.41 38.99 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.26 0.624 . . . . 72.209999999999994 111.073 -171.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.02 21.94 54.0 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 116.023 -0.535 . . . . 73.319999999999993 113.89 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -93.94 177.13 6.08 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 123.194 0.598 . . . . 72.540000000000006 111.041 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -117.78 101.0 7.96 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.484 0.713 . . . . 71.530000000000001 110.216 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.07 113.29 25.23 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.975 0.51 . . . . 55.130000000000003 111.556 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 165.65 21.7 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 115.803 -0.635 . . . . 54.219999999999999 110.272 165.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -55.98 -34.44 65.74 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.668 0.787 . . . . 70.109999999999999 113.017 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.519 HG12 HE21 ' B' ' 56' ' ' GLN . 48.3 t -71.88 -44.58 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.071 0.548 . . . . 75.319999999999993 110.633 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 24.6 mm-40 -59.42 -37.39 77.93 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.859 0.864 . . . . 71.439999999999998 112.172 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.1 mt -57.8 -52.12 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.664 0.786 . . . . 73.450000000000003 110.718 176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.434 HD22 HD11 ' A' ' 36' ' ' LEU . 91.7 mt -53.02 -42.68 65.9 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.738 0.815 . . . . 63.420000000000002 111.775 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.519 HE21 HG12 ' B' ' 52' ' ' VAL . 77.4 mt-30 -62.09 -47.95 82.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.814 0.846 . . . . 74.329999999999998 112.131 177.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 53' ' ' GLU . 19.2 mmt-85 -69.7 -24.7 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 122.955 0.502 . . . . 74.510000000000005 111.875 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.567 HG11 HG11 ' A' ' 58' ' ' VAL . 95.3 t -68.17 -44.84 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 122.834 0.454 . . . . 53.130000000000003 110.448 170.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.32 -46.57 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 122.966 0.506 . . . . 62.210000000000001 110.76 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -56.52 -42.97 79.31 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.899 0.879 . . . . 74.310000000000002 111.567 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.566 ' HB2' HG13 ' B' ' 40' ' ' VAL . 59.3 t80 -58.3 -55.31 36.63 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.3 1.04 . . . . 73.439999999999998 111.72 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' B' ' 66' ' ' GLN . 82.4 mt -62.72 -48.77 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 C-N-CA 123.346 0.658 . . . . 63.530000000000001 111.365 -175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.59 -35.05 75.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.386 0.674 . . . . 72.329999999999998 111.989 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.85 -30.66 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.593 0.757 . . . . 73.030000000000001 111.622 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.64 -36.67 28.59 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.33 0.652 . . . . 73.310000000000002 111.719 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 62' ' ' ILE . 85.4 mm-40 -70.92 -67.39 0.51 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 64.230000000000004 111.808 -175.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.18 153.34 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.885 0.874 . . . . 71.340000000000003 111.754 -171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.565 1.529 0 C-N-CA 123.592 0.757 . . . . 73.230000000000004 112.354 178.197 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 111.26 0.096 . . . . 71.140000000000001 111.26 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.16 65.23 2.51 Favored Glycine 0 C--N 1.351 1.367 0 O-C-N 123.226 0.329 . . . . 72.209999999999994 113.215 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -144.54 132.92 21.9 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.734 0.814 . . . . 54.439999999999998 110.354 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -133.31 131.45 40.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.548 0.739 . . . . 73.329999999999998 109.264 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' HB2' ' HD2' ' A' ' 7' ' ' HIS . 25.6 p80 -86.7 157.4 19.66 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.091 0.472 . . . . 71.239999999999995 110.898 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -126.47 27.1 6.22 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 122.135 0.969 . . . . 73.0 109.882 176.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' HD2' ' HB2' ' A' ' 5' ' ' HIS . 93.0 m-70 -92.58 104.77 17.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.407 -0.815 . . . . 54.240000000000002 110.467 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -154.3 150.2 27.74 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.06 0.544 . . . . 75.319999999999993 110.811 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 m -145.94 109.8 4.87 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.134 0.974 . . . . 64.239999999999995 110.796 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -126.56 119.22 26.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.245 0.618 . . . . 75.010000000000005 109.758 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.6 ttp -102.17 124.52 47.91 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.848 0.859 . . . . 71.450000000000003 110.422 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.34 -117.53 0.52 Allowed Glycine 0 CA--C 1.534 1.25 0 CA-C-O 119.88 -0.4 . . . . 64.019999999999996 112.361 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.21 -118.37 4.61 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-O 119.763 -0.465 . . . . 32.210000000000001 112.814 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.92 -148.97 48.77 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 116.979 0.389 . . . . 51.450000000000003 113.244 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.79 101.75 13.63 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.154 0.582 . . . . 75.230000000000004 110.193 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -161.72 115.12 0.64 Allowed Glycine 0 CA--C 1.543 1.798 0 CA-C-O 119.099 -0.834 . . . . 75.439999999999998 112.765 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.68 107.84 2.28 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 123.277 2.651 . . . . 60.399999999999999 112.125 176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB2' HD22 ' A' ' 26' ' ' LEU . . . -112.6 -170.25 1.63 Allowed 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.554 0.742 . . . . 71.319999999999993 111.946 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.3 -173.34 4.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.915 0.886 . . . . 65.329999999999998 110.78 -176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.15 84.39 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 122.327 1.06 . . . . 63.32 111.619 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -115.38 160.63 33.61 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 124.663 1.185 . . . . 71.099999999999994 111.275 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -81.25 -146.13 0.03 OUTLIER 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.511 2.14 . . . . 64.0 110.778 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -82.58 67.52 8.67 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-O 121.172 0.511 . . . . 64.420000000000002 110.103 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -163.68 172.43 14.25 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.72 0.808 . . . . 61.109999999999999 111.429 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? 70.95 -77.35 0.06 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.199 1.399 . . . . 64.230000000000004 111.952 170.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 27' ' ' ASP . 5.4 tt -144.07 145.8 32.41 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.055 -1.091 . . . . 63.520000000000003 108.055 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' N ' HD23 ' A' ' 26' ' ' LEU . 5.6 m-20 -71.86 74.91 0.88 Allowed 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.265 0.626 . . . . 71.420000000000002 111.021 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.24 -44.04 89.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.701 0.801 . . . . 63.420000000000002 109.795 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 ttm -53.15 -45.52 68.46 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.343 1.057 . . . . 42.149999999999999 112.577 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -45.3 85.44 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.398 0.679 . . . . 62.100000000000001 110.651 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.85 -45.26 95.24 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.939 0.896 . . . . 75.299999999999997 110.917 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 73.7 m -64.26 -39.27 93.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.501 1.12 . . . . 44.340000000000003 112.45 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 -44.99 95.47 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.392 0.677 . . . . 75.439999999999998 111.958 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 22.8 t -64.71 -41.83 95.72 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.874 -0.603 . . . . 65.409999999999997 110.368 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' HD3' HD13 ' B' ' 59' ' ' ILE . 50.1 ttt180 -63.09 -34.47 77.66 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 124.577 1.151 . . . . 70.5 112.454 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 40' ' ' VAL . 68.8 mt -61.69 -52.31 64.83 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-O 121.242 0.544 . . . . 70.0 109.745 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' NH1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -64.39 -22.28 66.9 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.483 1.113 . . . . 53.299999999999997 111.814 -174.304 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 34' ' ' SER . 48.7 mm-40 -66.31 -41.89 89.07 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.451 0.7 . . . . 74.239999999999995 110.763 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.8 mt -93.11 -3.44 54.11 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.858 -1.065 . . . . 53.409999999999997 113.213 -170.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 36' ' ' LEU . 45.9 t -100.55 102.36 18.66 Favored Pre-proline 0 N--CA 1.49 1.536 0 C-N-CA 122.823 0.449 . . . . 75.439999999999998 111.45 177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.79 -9.58 14.45 Favored 'Trans proline' 0 C--N 1.381 2.286 0 C-N-CA 122.515 2.143 . . . . 70.329999999999998 112.394 170.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 -10.01 58.33 Favored Glycine 0 C--N 1.361 1.937 0 C-N-CA 123.461 0.553 . . . . 75.5 114.295 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG13 HD11 ' A' ' 49' ' ' LEU . 79.8 t -56.48 125.34 66.15 Favored Pre-proline 0 CA--C 1.565 1.523 0 C-N-CA 123.838 0.855 . . . . 75.219999999999999 111.324 172.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.22 149.54 88.57 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.301 2.0 . . . . 62.25 112.787 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.43 111.8 2.47 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.567 1.147 . . . . 62.299999999999997 112.999 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.29 15.48 81.43 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.184 0.834 . . . . 73.109999999999999 115.184 173.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -82.99 141.98 31.7 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.323 0.561 . . . . 73.0 111.166 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -53.4 51.81 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.209 1.004 . . . . 73.129999999999995 111.589 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.537 HD11 HG13 ' A' ' 43' ' ' VAL . 44.0 mt 66.63 121.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.687 1.595 . . . . 74.030000000000001 114.283 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -75.74 161.37 29.11 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.469 0.707 . . . . 74.450000000000003 110.484 167.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -63.84 -26.49 68.64 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.892 0.477 . . . . 73.409999999999997 111.427 176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.632 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.9 t -71.63 -42.96 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 115.939 -0.573 . . . . 74.109999999999999 110.065 174.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.28 -36.63 80.58 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.884 -0.598 . . . . 34.32 111.417 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.9 mt -55.45 -52.96 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.879 0.472 . . . . 71.329999999999998 110.488 175.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD22 HD11 ' B' ' 36' ' ' LEU . 94.6 mt -54.62 -48.57 72.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.743 0.817 . . . . 73.450000000000003 112.538 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 59' ' ' ILE . 47.1 mt-30 -68.41 -35.67 77.99 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.76 0.824 . . . . 63.329999999999998 112.554 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' HA ' ' HB3' ' A' ' 60' ' ' ASP . 94.5 mtt-85 -78.78 -18.76 53.64 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.306 0.642 . . . . 72.25 112.014 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 54' ' ' ILE . 69.3 t -72.86 -41.25 60.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 109.853 -0.425 . . . . 74.239999999999995 109.853 166.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -55.02 -53.99 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 109.451 -0.574 . . . . 75.230000000000004 109.451 170.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 57' ' ' ARG . 22.1 t70 -52.86 -43.24 65.92 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 125.64 1.576 . . . . 75.329999999999998 112.617 175.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HB2' HG13 ' A' ' 40' ' ' VAL . 43.8 t80 -58.79 -51.03 71.72 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.531 1.133 . . . . 73.0 111.611 175.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.485 HG21 ' HB3' ' B' ' 39' ' ' LEU . 88.5 mt -64.76 -35.1 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.066 0.946 . . . . 75.549999999999997 111.524 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 83.1 mt -65.41 -34.56 78.6 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.378 0.671 . . . . 63.350000000000001 111.517 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.74 -36.5 67.75 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.657 0.783 . . . . 61.340000000000003 111.309 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.82 -45.8 92.27 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.494 0.664 . . . . 75.510000000000005 111.382 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' NE2' HG22 ' A' ' 62' ' ' ILE . 40.6 mt-30 -85.8 -176.2 5.92 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 114.715 -1.13 . . . . 73.120000000000005 111.391 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.5 m -86.16 138.83 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 122.639 0.376 . . . . 71.450000000000003 110.618 172.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.565 1.52 0 C-N-CA 123.527 0.731 . . . . 63.039999999999999 110.703 -178.777 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.338 0.113 . . . . 73.230000000000004 110.784 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.16 -47.55 3.69 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 113.94 0.336 . . . . 61.240000000000002 113.94 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.41 0.684 . . . . 62.030000000000001 112.645 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -82.82 177.95 8.41 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.541 0.941 . . . . 74.349999999999994 113.541 -169.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -110.04 168.74 9.21 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 125.125 1.37 . . . . 74.409999999999997 110.488 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -128.54 164.11 23.53 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.119 0.567 . . . . 74.209999999999994 111.977 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -103.88 9.5 36.79 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.845 0.858 . . . . 65.140000000000001 111.721 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -78.34 157.83 29.0 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.316 0.647 . . . . 72.099999999999994 111.221 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -59.1 129.35 41.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.492 0.717 . . . . 55.520000000000003 111.258 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -148.98 154.36 39.25 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.249 0.619 . . . . 74.430000000000007 111.701 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -100.29 -172.3 2.19 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.201 1.001 . . . . 72.329999999999998 110.81 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.92 -21.37 36.4 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 116.226 -0.443 . . . . 64.150000000000006 113.959 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.97 -75.29 2.3 Favored Glycine 0 C--N 1.351 1.376 0 C-N-CA 123.144 0.402 . . . . 43.149999999999999 113.369 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.1 119.28 0.5 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.586 -0.605 . . . . 73.030000000000001 111.586 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -159.63 160.42 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.229 0.611 . . . . 64.239999999999995 110.972 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.27 86.02 0.08 OUTLIER Glycine 0 N--CA 1.479 1.558 0 CA-C-O 119.287 -0.73 . . . . 75.040000000000006 112.739 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -75.73 141.28 24.42 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 123.192 2.595 . . . . 50.520000000000003 112.533 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.02 137.69 33.47 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.408 0.683 . . . . 70.439999999999998 112.373 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -26.89 28.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.966 0.906 . . . . 63.409999999999997 112.1 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.39 134.56 45.49 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.696 0.398 . . . . 73.209999999999994 110.906 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -146.49 152.38 45.58 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.267 0.627 . . . . 74.439999999999998 111.132 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.64 -177.11 1.68 Allowed 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.963 2.442 . . . . 61.020000000000003 113.112 172.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt 61.66 15.62 7.06 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 124.627 1.171 . . . . 61.539999999999999 114.03 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 27.0 t -77.11 120.79 22.68 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.567 0.747 . . . . 54.229999999999997 110.574 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mp 62.35 98.37 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.052 1.341 . . . . 42.43 112.126 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -167.99 -64.08 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.371 1.068 . . . . 70.319999999999993 110.099 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 57.55 91.58 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.799 1.24 . . . . 75.219999999999999 110.618 -171.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.92 -30.84 69.32 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.847 0.859 . . . . 72.239999999999995 111.883 -175.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 52' ' ' VAL . 43.0 mtp -73.21 -32.95 65.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.456 0.702 . . . . 64.409999999999997 112.168 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.56 -33.8 76.76 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.223 0.609 . . . . 73.209999999999994 111.17 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -59.28 -45.09 92.19 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.311 0.644 . . . . 75.25 110.499 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 17.3 m -66.57 -44.0 83.47 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 114.902 -1.045 . . . . 42.420000000000002 111.567 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -60.33 -44.68 95.28 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.295 1.038 . . . . 74.030000000000001 112.663 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 50.2 m -58.19 -45.7 87.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.707 0.803 . . . . 62.229999999999997 110.52 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -70.02 -32.4 70.55 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.808 1.243 . . . . 73.420000000000002 112.348 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.625 HD11 HD22 ' A' ' 55' ' ' LEU . 84.3 mt -58.32 -54.32 48.3 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.147 0.579 . . . . 75.120000000000005 110.439 171.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.417 ' HG2' HG21 ' B' ' 43' ' ' VAL . 10.4 ttp85 -55.14 -33.91 63.3 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.781 1.232 . . . . 71.129999999999995 112.577 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 34' ' ' SER . 24.2 mm-40 -67.96 -33.13 74.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.596 0.758 . . . . 74.519999999999996 111.578 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.485 ' HB3' HG21 ' A' ' 62' ' ' ILE . 91.8 mt -89.12 1.33 55.78 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.888 0.875 . . . . 73.120000000000005 112.45 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' B' ' 61' ' ' TYR . 60.7 t -110.05 100.3 43.0 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 123.297 0.639 . . . . 73.219999999999999 111.764 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -67.74 -8.45 22.47 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 123.131 2.554 . . . . 74.420000000000002 113.448 169.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.02 0.87 57.54 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 114.026 0.371 . . . . 44.030000000000001 114.026 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' B' ' 37' ' ' ARG . 97.6 t -81.13 117.39 67.92 Favored Pre-proline 0 CA--C 1.56 1.342 0 C-N-CA 123.779 0.832 . . . . 73.120000000000005 110.316 170.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.81 151.16 85.07 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.912 2.408 . . . . 63.32 113.167 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -72.71 99.52 2.61 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.464 0.706 . . . . 72.329999999999998 110.102 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.19 75.07 1.26 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-N 116.316 -0.402 . . . . 65.129999999999995 112.485 -175.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -140.56 173.06 11.87 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.957 0.903 . . . . 62.119999999999997 111.524 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -120.59 112.8 19.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.812 0.845 . . . . 71.310000000000002 110.359 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.24 102.28 6.38 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.703 0.801 . . . . 74.439999999999998 110.317 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 34.9 m -79.36 -75.13 0.26 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.783 0.433 . . . . 74.319999999999993 110.841 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -147.01 -55.76 0.25 Allowed 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 123.474 0.71 . . . . 73.140000000000001 110.948 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.12 -45.21 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.33 0.652 . . . . 53.420000000000002 110.393 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.64 -36.4 83.71 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.693 -1.139 . . . . 62.240000000000002 111.146 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.431 ' O ' HG23 ' B' ' 58' ' ' VAL . 58.8 mt -59.49 -50.39 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.358 0.663 . . . . 75.430000000000007 110.704 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 36' ' ' LEU . 95.9 mt -55.33 -42.37 73.69 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.281 0.632 . . . . 63.329999999999998 112.001 177.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -66.13 -35.88 81.68 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.975 0.91 . . . . 63.530000000000001 111.766 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -70.56 -34.28 72.05 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.888 0.475 . . . . 72.030000000000001 111.415 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.432 HG11 HG11 ' A' ' 58' ' ' VAL . 93.7 t -67.61 -44.77 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.016 0.526 . . . . 55.039999999999999 110.773 176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.489 HD13 ' HD3' ' A' ' 35' ' ' ARG . 70.1 mt -60.55 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.932 -0.396 . . . . 75.200000000000003 109.932 174.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -56.22 -37.97 70.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.066 0.946 . . . . 43.240000000000002 111.892 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.531 ' HB2' HG13 ' B' ' 40' ' ' VAL . 77.6 t80 -64.06 -46.7 83.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.946 0.898 . . . . 75.230000000000004 111.708 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 58' ' ' VAL . 52.8 mt -67.93 -39.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 120.859 0.361 . . . . 73.219999999999999 110.266 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.85 -32.43 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.186 0.994 . . . . 61.229999999999997 111.589 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.65 -38.03 89.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.136 0.974 . . . . 61.539999999999999 111.226 176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.48 -39.61 22.24 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.848 -0.615 . . . . 51.219999999999999 111.923 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -87.57 -67.34 0.83 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.48 0.712 . . . . 74.200000000000003 112.05 -175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 46.6 t -77.98 107.58 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.806 0.843 . . . . 54.509999999999998 111.53 -171.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 CA--C 1.569 1.678 0 C-N-CA 123.506 0.723 . . . . 71.430000000000007 112.459 178.038 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.735 0.302 . . . . 64.299999999999997 111.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.57 44.02 0.02 OUTLIER Glycine 0 N--CA 1.47 0.918 0 CA-C-N 115.676 -0.693 . . . . 71.140000000000001 111.588 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -63.87 127.32 30.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.959 0.903 . . . . 62.030000000000001 112.152 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -143.67 152.26 41.12 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.162 0.585 . . . . 74.209999999999994 110.125 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -88.45 -2.1 58.41 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.255 0.835 . . . . 75.530000000000001 113.255 -169.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -91.84 137.93 31.97 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.527 0.731 . . . . 71.040000000000006 111.128 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -125.38 114.23 18.59 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.838 0.855 . . . . 64.209999999999994 110.442 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -168.46 145.75 3.98 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.284 0.633 . . . . 73.540000000000006 111.313 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -152.59 -49.47 0.1 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.832 0.853 . . . . 71.420000000000002 110.876 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 63.11 23.38 13.91 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 124.192 0.997 . . . . 73.319999999999993 111.193 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.13 123.51 24.57 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.027 0.531 . . . . 64.409999999999997 110.845 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.73 108.94 0.33 Allowed Glycine 0 CA--C 1.534 1.259 0 CA-C-N 116.163 -0.472 . . . . 61.140000000000001 111.975 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.96 70.06 0.46 Allowed Glycine 0 N--CA 1.474 1.219 0 CA-C-N 116.935 0.367 . . . . 54.409999999999997 112.766 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.84 -156.19 11.79 Favored Glycine 0 N--CA 1.478 1.498 0 C-N-CA 122.933 0.301 . . . . 61.130000000000003 113.232 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -80.04 120.65 24.49 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.158 0.583 . . . . 72.430000000000007 110.781 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.18 167.28 53.27 Favored Glycine 0 CA--C 1.541 1.668 0 CA-C-O 119.907 -0.385 . . . . 41.210000000000001 113.831 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -84.36 178.89 4.84 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 123.373 2.715 . . . . 53.020000000000003 113.451 -178.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.38 137.49 32.29 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.457 0.703 . . . . 75.019999999999996 110.539 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 110.29 8.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.798 0.439 . . . . 72.439999999999998 112.152 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.17 -170.45 1.16 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.844 0.858 . . . . 74.109999999999999 111.057 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.92 125.85 84.36 Favored Pre-proline 0 CA--C 1.564 1.489 0 O-C-N 122.205 -0.309 . . . . 72.0 110.391 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.31 81.19 1.24 Allowed 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.995 2.464 . . . . 72.239999999999995 113.664 -171.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt 55.99 -87.3 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 125.054 1.342 . . . . 65.010000000000005 113.282 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 m -99.04 89.29 4.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.463 0.705 . . . . 74.310000000000002 111.082 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -20.13 62.17 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.678 0.791 . . . . 64.439999999999998 109.89 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.89 -36.75 84.97 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.168 0.987 . . . . 64.340000000000003 110.737 171.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 63.84 62.51 0.89 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.801 1.24 . . . . 75.530000000000001 112.146 -175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 31' ' ' HIS . 33.0 t70 -63.23 -30.98 72.02 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.88 0.472 . . . . 61.409999999999997 111.085 175.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.599 ' HG2' HG22 ' B' ' 52' ' ' VAL . 40.8 mtp -64.3 -35.66 81.58 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.785 -0.643 . . . . 73.209999999999994 111.288 177.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -64.01 -33.12 75.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.338 0.655 . . . . 52.109999999999999 111.508 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 28' ' ' ASP . 93.4 m-70 -63.19 -37.97 89.33 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.883 0.473 . . . . 70.420000000000002 111.137 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.1 m -71.75 -43.93 64.96 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 123.659 0.784 . . . . 65.25 111.879 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -64.09 -33.12 75.05 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.832 0.853 . . . . 73.209999999999994 111.693 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -55.44 -47.53 75.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.724 0.809 . . . . 74.409999999999997 111.093 172.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -31.64 61.56 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.34 -0.845 . . . . 75.439999999999998 111.345 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.3 mt -62.92 -27.1 69.15 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 118.294 0.497 . . . . 62.43 111.504 174.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -68.66 -30.84 69.62 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.798 0.332 . . . . 71.109999999999999 111.555 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.78 -31.94 25.65 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.842 0.857 . . . . 52.350000000000001 111.034 -175.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' B' ' 62' ' ' ILE . 57.7 mt -75.01 -19.45 60.06 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.083 0.953 . . . . 74.299999999999997 112.237 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.603 HG11 ' HG2' ' A' ' 57' ' ' ARG . 13.2 t -111.79 97.3 37.0 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 123.37 0.668 . . . . 54.409999999999997 109.925 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.38 -18.48 20.37 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.581 2.188 . . . . 54.030000000000001 113.143 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.82 4.77 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.051 0.358 . . . . 34.039999999999999 113.312 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.76 116.88 67.22 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.806 0.842 . . . . 65.430000000000007 109.561 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.89 125.66 19.72 Favored 'Trans proline' 0 C--N 1.381 2.265 0 C-N-CA 122.957 2.438 . . . . 73.0 113.715 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -65.29 103.98 0.87 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.223 0.609 . . . . 54.520000000000003 110.519 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.24 33.59 1.11 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-N 116.101 -0.5 . . . . 41.030000000000001 113.061 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -117.64 166.8 11.96 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.487 0.715 . . . . 62.149999999999999 111.285 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -116.11 -49.3 2.7 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.252 0.621 . . . . 71.400000000000006 111.168 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' NH1' ' A' ' 57' ' ' ARG . 42.9 mt 66.73 135.35 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 125.158 1.383 . . . . 71.540000000000006 112.621 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 m -131.52 -74.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.881 -0.512 . . . . 74.540000000000006 111.706 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -126.96 -78.71 0.59 Allowed 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 112.306 0.484 . . . . 64.519999999999996 112.306 -169.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.655 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.0 t -71.93 -33.43 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-O 121.673 0.749 . . . . 73.439999999999998 111.163 -171.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 3.6 mp0 -57.2 -32.27 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.482 1.513 . . . . 72.200000000000003 111.577 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.49 HG23 HH22 ' A' ' 57' ' ' ARG . 66.9 mt -67.48 -48.34 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.547 0.739 . . . . 72.510000000000005 111.214 176.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.33 -47.79 82.6 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.358 0.663 . . . . 71.329999999999998 111.46 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.51 -39.78 92.23 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.976 0.91 . . . . 73.340000000000003 111.672 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' HG2' HG11 ' A' ' 40' ' ' VAL . 32.2 ttp-105 -65.75 -31.76 72.93 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.588 0.755 . . . . 73.219999999999999 111.724 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' ILE . 84.7 t -69.2 -40.47 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.275 0.63 . . . . 71.239999999999995 110.905 173.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.69 -39.2 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 122.856 0.462 . . . . 75.25 110.502 173.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.22 -42.56 95.45 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.236 0.615 . . . . 75.439999999999998 111.715 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.507 ' HB2' HG13 ' A' ' 40' ' ' VAL . 79.0 t80 -58.96 -53.97 52.37 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.051 0.541 . . . . 72.519999999999996 111.759 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.29 -45.62 92.97 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 C-N-CA 123.125 0.57 . . . . 72.439999999999998 111.709 -174.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.78 -29.62 68.04 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.379 0.511 . . . . 72.329999999999998 112.379 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.86 -38.04 89.26 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 123.001 0.52 . . . . 63.149999999999999 111.075 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -70.57 -40.52 73.28 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.045 -0.525 . . . . 71.340000000000003 111.519 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -78.99 -34.39 44.14 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.276 0.843 . . . . 72.310000000000002 113.276 -175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.49 130.16 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 124.046 0.938 . . . . 73.239999999999995 111.402 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.572 1.808 0 C-N-CA 122.986 0.514 . . . . 72.219999999999999 112.035 175.446 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 110.79 -0.078 . . . . 74.430000000000007 110.79 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.27 144.59 2.99 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 123.239 0.337 . . . . 73.409999999999997 113.92 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -88.07 -38.65 15.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.383 0.673 . . . . 63.340000000000003 110.203 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.77 98.94 8.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.979 0.912 . . . . 71.439999999999998 110.343 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.6 89.16 7.04 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.302 0.641 . . . . 73.239999999999995 110.479 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -94.45 114.59 26.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.287 0.635 . . . . 54.509999999999998 111.504 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -109.18 97.83 7.37 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.883 0.873 . . . . 75.019999999999996 108.717 169.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -77.24 -55.59 5.28 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.405 0.682 . . . . 64.299999999999997 110.775 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.6 t 68.81 121.37 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.267 1.427 . . . . 64.450000000000003 114.366 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -133.3 147.27 51.89 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.913 0.885 . . . . 73.209999999999994 110.635 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.0 mmt -68.73 103.77 1.84 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.885 0.874 . . . . 53.530000000000001 111.672 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.92 -24.42 4.58 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 115.046 0.779 . . . . 75.230000000000004 115.046 173.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.98 80.43 0.95 Allowed Glycine 0 C--N 1.353 1.472 0 CA-C-N 117.512 0.656 . . . . 71.319999999999993 113.321 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.87 85.78 0.21 Allowed Glycine 0 C--N 1.349 1.262 0 CA-C-O 120.223 -0.21 . . . . 72.310000000000002 113.468 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -92.09 144.2 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.634 0.374 . . . . 75.510000000000005 111.947 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.88 141.02 21.4 Favored Glycine 0 CA--C 1.538 1.519 0 CA-C-O 118.548 -1.14 . . . . 50.530000000000001 110.516 163.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.7 99.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.948 2.432 . . . . 70.329999999999998 113.244 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.43 105.32 5.51 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.04 0.936 . . . . 34.409999999999997 112.262 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.46 139.52 8.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.584 0.754 . . . . 75.230000000000004 110.388 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.27 52.96 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.198 0.599 . . . . 72.420000000000002 110.944 175.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.29 135.0 62.04 Favored Pre-proline 0 CA--C 1.563 1.46 0 C-N-CA 123.187 0.595 . . . . 71.319999999999993 111.053 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.04 120.18 4.11 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.873 2.382 . . . . 72.409999999999997 113.303 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt 66.34 166.65 0.21 Allowed 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 125.088 1.355 . . . . 72.430000000000007 113.924 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.3 t -160.58 170.86 20.01 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.93 0.892 . . . . 73.409999999999997 110.135 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.7 123.51 27.23 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.035 0.534 . . . . 75.219999999999999 111.148 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tt -153.26 109.62 3.37 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.716 0.806 . . . . 41.119999999999997 108.949 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -119.05 100.29 7.25 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.794 -0.817 . . . . 71.430000000000007 108.794 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.0 -34.8 30.7 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 124.106 0.962 . . . . 53.030000000000001 112.499 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.655 ' HG2' HG22 ' A' ' 52' ' ' VAL . 31.2 mtp -66.31 -45.31 80.78 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.056 0.543 . . . . 74.129999999999995 111.42 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.59 -34.07 77.39 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.569 0.748 . . . . 65.150000000000006 111.446 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -65.21 -36.31 83.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.587 0.755 . . . . 52.43 111.496 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.19 -42.34 72.54 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.761 0.424 . . . . 51.399999999999999 110.842 172.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.84 -30.36 70.06 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.203 1.001 . . . . 75.439999999999998 111.937 175.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 53.2 m -58.72 -48.98 79.3 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.243 0.617 . . . . 62.100000000000001 110.664 175.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -75.2 -27.65 59.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.115 0.566 . . . . 73.420000000000002 112.508 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' B' ' 58' ' ' VAL . 82.0 mt -69.14 -22.28 63.96 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.935 0.398 . . . . 75.209999999999994 110.769 168.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' B' ' 43' ' ' VAL . 0.0 OUTLIER -88.37 -17.43 30.58 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.499 0.72 . . . . 75.109999999999999 111.451 173.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 34' ' ' SER . 15.5 mm-40 -88.82 -38.85 14.31 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 122.748 0.419 . . . . 63.030000000000001 111.791 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.37 -6.35 58.5 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.118 0.784 . . . . 64.439999999999998 113.118 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.98 102.41 50.55 Favored Pre-proline 0 N--CA 1.489 1.513 0 C-N-CA 122.872 0.469 . . . . 52.240000000000002 110.952 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.94 -3.84 12.46 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.822 2.348 . . . . 65.230000000000004 113.462 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.82 52.56 4.73 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 123.139 0.4 . . . . 71.030000000000001 113.602 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' B' ' 37' ' ' ARG . 60.3 t -104.26 136.46 19.18 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.876 1.27 . . . . 71.530000000000001 109.75 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.87 166.46 22.51 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.581 2.187 . . . . 75.329999999999998 113.441 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -71.95 94.8 1.5 Allowed 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 121.291 0.567 . . . . 75.340000000000003 109.756 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.34 -170.96 17.0 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 115.526 -0.761 . . . . 71.040000000000006 112.392 -167.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 30.8 m 65.96 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.808 1.243 . . . . 72.040000000000006 112.443 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -69.08 -13.79 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.959 0.904 . . . . 73.549999999999997 112.242 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 92.9 mt 74.1 108.57 0.07 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.908 1.683 . . . . 72.120000000000005 112.063 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.5 t -70.85 161.09 31.6 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.838 0.855 . . . . 62.420000000000002 111.219 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.41 -48.83 62.52 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 113.955 1.094 . . . . 73.319999999999993 113.955 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' A' ' 29' ' ' MET . 4.9 t -74.69 -35.61 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 122.935 0.494 . . . . 65.319999999999993 111.212 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.26 84.59 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.464 0.706 . . . . 53.229999999999997 110.55 177.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 58' ' ' VAL . 83.8 mt -58.16 -49.75 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.102 0.561 . . . . 61.409999999999997 110.517 173.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.432 ' O ' HG13 ' B' ' 59' ' ' ILE . 96.0 mt -53.73 -50.55 65.71 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.282 0.633 . . . . 75.400000000000006 111.923 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.474 HE21 HG12 ' B' ' 52' ' ' VAL . 78.6 mt-30 -66.65 -34.9 78.89 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.165 0.986 . . . . 64.530000000000001 112.123 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -74.81 -33.48 62.21 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.585 0.754 . . . . 75.439999999999998 111.717 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 54' ' ' ILE . 72.8 t -67.3 -39.39 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 122.88 0.472 . . . . 73.439999999999998 110.594 172.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 55' ' ' LEU . 91.5 mt -57.57 -52.74 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.642 0.377 . . . . 74.099999999999994 110.285 173.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -55.46 -42.85 74.86 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.1 0.96 . . . . 73.400000000000006 112.42 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.89 -47.69 83.84 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.51 0.724 . . . . 72.5 112.051 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 39' ' ' LEU . 65.1 mt -72.87 -26.67 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.354 0 CA-C-N 116.266 -0.425 . . . . 74.219999999999999 111.621 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 59' ' ' ILE . 78.9 mt -60.94 -35.14 75.95 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.981 0.512 . . . . 62.310000000000002 111.456 172.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.72 -32.29 73.77 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.17 0.588 . . . . 74.519999999999996 111.361 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.46 -30.14 42.02 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.602 0.761 . . . . 75.010000000000005 111.905 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -107.78 -161.6 0.79 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.049 0.94 . . . . 71.129999999999995 111.228 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -94.1 120.48 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.288 0.635 . . . . 74.510000000000005 112.362 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.488 -0.768 . . . . 73.099999999999994 109.645 168.128 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.541 0.21 . . . . 74.319999999999993 111.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.14 41.66 4.24 Favored Glycine 0 N--CA 1.48 1.629 0 C-N-CA 122.952 0.31 . . . . 75.230000000000004 113.164 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -97.17 84.33 3.48 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.655 0.782 . . . . 60.100000000000001 111.449 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.05 62.03 0.66 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 108.275 -1.009 . . . . 73.25 108.275 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -79.28 -25.48 42.48 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 115.255 -0.884 . . . . 74.129999999999995 112.022 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -77.45 100.55 6.05 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 121.141 0.496 . . . . 74.019999999999996 110.488 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -91.47 -46.75 7.81 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.688 0.795 . . . . 63.109999999999999 110.614 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 61.65 78.81 0.27 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.889 1.276 . . . . 71.230000000000004 111.852 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 t -168.27 83.34 0.17 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.31 0.644 . . . . 64.109999999999999 111.047 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -165.58 121.85 1.38 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.197 0.599 . . . . 70.329999999999998 111.096 174.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -131.73 173.86 10.72 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.937 0.895 . . . . 75.310000000000002 110.173 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.81 -8.35 0.04 OUTLIER Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.633 -0.537 . . . . 73.420000000000002 113.447 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.24 91.52 0.54 Allowed Glycine 0 CA--C 1.541 1.703 0 CA-C-N 117.019 0.409 . . . . 73.329999999999998 113.381 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.44 110.17 0.56 Allowed Glycine 0 C--N 1.351 1.399 0 CA-C-O 119.905 -0.386 . . . . 44.149999999999999 113.345 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 26.5 ttpt 70.59 171.87 0.31 Allowed 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 125.086 1.354 . . . . 74.140000000000001 112.406 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' H ' ' HG2' ' A' ' 15' ' ' LYS . . . 161.04 -83.39 0.13 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.591 -0.604 . . . . 61.420000000000002 111.591 173.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.576 ' HG3' ' H ' ' B' ' 26' ' ' LEU . 27.1 Cg_endo -88.15 176.34 3.79 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 123.313 2.675 . . . . 74.239999999999995 113.874 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' B' ' 10' ' ' HIS . . . -165.33 65.55 0.12 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.013 1.325 . . . . 70.400000000000006 108.428 170.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.96 129.06 38.31 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.205 0.602 . . . . 71.340000000000003 112.514 -172.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 44.1 mt-10 -98.1 155.7 17.01 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.759 0.824 . . . . 73.030000000000001 111.61 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 129.5 82.56 Favored Pre-proline 0 CA--C 1.562 1.426 0 C-N-CA 123.239 0.616 . . . . 75.239999999999995 111.619 -176.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.09 88.78 0.64 Allowed 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.815 2.343 . . . . 71.230000000000004 112.252 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.3 mt 69.78 155.78 0.14 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 125.229 1.412 . . . . 45.25 113.358 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -125.25 127.12 46.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.757 0.823 . . . . 65.299999999999997 109.329 172.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.2 mt -103.62 -55.25 2.42 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.737 0.815 . . . . 74.5 111.345 -170.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 tt -167.96 -49.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 106.662 -1.607 . . . . 64.129999999999995 106.662 -175.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 65.61 98.58 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 113.635 -1.62 . . . . 62.240000000000002 113.11 168.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.64 -28.05 69.65 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.929 -0.578 . . . . 74.319999999999993 110.491 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.544 ' HB3' HG22 ' B' ' 52' ' ' VAL . 3.3 ptp -64.73 -30.23 71.23 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 111.959 0.355 . . . . 73.209999999999994 111.959 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -64.18 -47.53 79.47 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.23 0.612 . . . . 74.340000000000003 109.838 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -63.68 -41.44 98.16 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.455 0.702 . . . . 75.299999999999997 111.265 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 88.6 m -64.23 -36.49 84.25 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.111 0.965 . . . . 52.229999999999997 112.318 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.15 -42.95 93.29 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 124.032 0.933 . . . . 74.420000000000002 111.672 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 57.3 m -64.88 -41.37 95.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.489 -0.778 . . . . 64.530000000000001 111.048 173.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.26 -29.21 67.96 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.382 1.073 . . . . 73.140000000000001 111.479 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 HD22 ' B' ' 55' ' ' LEU . 83.0 mt -60.82 -55.47 32.69 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.715 -0.846 . . . . 60.25 108.715 170.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 78.7 mtm180 -53.51 -27.3 24.8 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.916 0.886 . . . . 64.319999999999993 113.279 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 34' ' ' SER . 14.0 mm-40 -76.31 -36.29 58.38 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 121.102 0.477 . . . . 74.150000000000006 110.975 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' HB3' HG21 ' B' ' 62' ' ' ILE . 98.0 mt -92.0 -23.25 19.6 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.775 0.83 . . . . 72.430000000000007 113.14 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 61' ' ' TYR . 90.8 t -93.81 109.17 39.85 Favored Pre-proline 0 N--CA 1.488 1.463 0 C-N-CA 123.786 0.834 . . . . 71.420000000000002 111.98 -173.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.62 -12.93 29.64 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 123.117 2.545 . . . . 72.319999999999993 112.832 170.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.05 67.23 Favored Glycine 0 C--N 1.361 1.955 0 C-N-CA 122.996 0.332 . . . . 73.400000000000006 112.817 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' HG12 ' A' ' 40' ' ' VAL . 93.5 t -76.08 110.17 10.33 Favored Pre-proline 0 CA--C 1.562 1.405 0 C-N-CA 123.642 0.777 . . . . 74.310000000000002 109.092 165.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -178.12 1.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.742 2.295 . . . . 70.140000000000001 113.317 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -55.69 102.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.081 0.952 . . . . 72.319999999999993 112.269 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.69 -92.05 0.6 Allowed Glycine 0 C--N 1.35 1.361 0 CA-C-N 115.756 -0.656 . . . . 64.420000000000002 112.203 -174.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 m 71.22 148.2 0.08 Allowed 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.251 1.42 . . . . 75.099999999999994 113.075 173.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -95.89 97.36 9.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.683 0.793 . . . . 75.230000000000004 109.714 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 53' ' ' GLU . 88.7 mt -117.47 124.23 48.27 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.256 0.622 . . . . 75.129999999999995 111.155 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -77.98 177.85 7.94 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.471 0.709 . . . . 71.340000000000003 110.784 170.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -58.32 -38.74 77.72 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.497 0.719 . . . . 75.340000000000003 112.515 -177.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.671 HG22 ' HG2' ' B' ' 29' ' ' MET . 4.4 t -68.0 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-O 121.094 0.473 . . . . 65.439999999999998 110.462 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 49' ' ' LEU . 31.4 mm-40 -58.37 -36.01 72.84 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.5 1.12 . . . . 43.32 112.955 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.56 -46.88 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.315 0.246 . . . . 74.209999999999994 110.54 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -55.49 -45.38 77.01 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.481 0.712 . . . . 71.150000000000006 111.877 176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.74 -36.89 70.6 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.545 0.738 . . . . 73.450000000000003 111.985 -176.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -29.45 68.81 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.189 0.596 . . . . 72.230000000000004 111.639 174.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG22 HG21 ' A' ' 40' ' ' VAL . 79.0 t -67.14 -44.14 88.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 122.586 0.355 . . . . 61.310000000000002 110.499 169.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 76.1 mt -58.92 -41.54 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.761 0.424 . . . . 74.420000000000002 110.736 176.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.0 m-20 -59.54 -44.88 93.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.475 0.71 . . . . 51.049999999999997 111.562 174.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.526 ' HB2' HG13 ' A' ' 40' ' ' VAL . 49.8 t80 -56.85 -44.71 82.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.487 0.715 . . . . 62.020000000000003 111.786 175.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' B' ' 39' ' ' LEU . 39.9 mt -70.07 -28.6 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-N 116.42 -0.354 . . . . 54.32 110.546 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 59' ' ' ILE . 97.5 mt -62.99 -37.48 87.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.871 0.469 . . . . 53.020000000000003 111.241 172.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -60.76 -39.3 88.22 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.076 0.55 . . . . 70.299999999999997 111.91 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 62' ' ' ILE . 55.3 mt -70.42 -45.95 64.89 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.957 0.903 . . . . 74.349999999999994 112.059 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -71.33 -59.14 2.93 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.338 -0.846 . . . . 72.310000000000002 111.641 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.11 147.62 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.739 0.816 . . . . 74.510000000000005 110.727 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 CA--C 1.572 1.81 0 CA-C-O 118.422 -0.799 . . . . 71.439999999999998 111.827 179.781 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.561 0.219 . . . . 52.439999999999998 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.65 95.72 0.17 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.837 -0.505 . . . . 34.140000000000001 111.837 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -95.14 -160.63 0.8 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.329 1.052 . . . . 71.319999999999993 111.074 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.78 111.12 2.64 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 123.65 0.78 . . . . 63.229999999999997 112.229 -175.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 60.65 -80.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 125.326 1.45 . . . . 74.239999999999995 113.726 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 57.14 85.11 0.09 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.229 1.412 . . . . 70.420000000000002 110.494 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.16 168.42 14.08 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.751 0.82 . . . . 30.219999999999999 112.721 -174.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -47.89 100.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.62 1.168 . . . . 71.129999999999995 113.222 -176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.422 ' HB3' ' HG3' ' A' ' 20' ' ' GLU . 49.0 m -87.52 100.72 12.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.796 0.838 . . . . 61.409999999999997 110.601 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 9.3 p80 -150.55 79.27 1.33 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.09 0.948 . . . . 42.329999999999998 111.392 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -78.86 -54.68 5.81 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.424 -0.584 . . . . 74.230000000000004 109.424 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.01 122.88 0.68 Allowed Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.213 -0.903 . . . . 61.240000000000002 111.971 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.5 159.48 9.55 Favored Glycine 0 CA--C 1.535 1.287 0 CA-C-N 116.958 0.379 . . . . 62.240000000000002 113.463 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 15' ' ' LYS . . . 143.75 -162.24 27.73 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 119.649 -0.528 . . . . 72.340000000000003 112.501 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt 68.85 130.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.085 1.354 . . . . 52.009999999999998 112.495 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.1 -132.46 2.56 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-O 119.08 -0.845 . . . . 40.240000000000002 112.846 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.18 81.59 2.22 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 123.264 2.643 . . . . 52.340000000000003 113.004 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.97 116.79 2.84 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.633 -0.712 . . . . 72.430000000000007 110.797 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.91 -40.62 75.48 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.447 0.642 . . . . 75.510000000000005 110.34 170.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -158.46 137.35 11.31 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.8 1.24 . . . . 74.209999999999994 108.511 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -125.16 158.86 62.04 Favored Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 123.007 0.523 . . . . 61.409999999999997 112.394 -168.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . 0.536 ' HD2' HD21 ' B' ' 26' ' ' LEU . 93.3 Cg_endo -80.88 115.53 3.05 Favored 'Trans proline' 0 CA--C 1.564 1.988 0 C-N-CA 122.516 2.144 . . . . 62.140000000000001 110.872 159.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 84.31 0.5 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.415 0.686 . . . . 65.129999999999995 112.376 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 21.0 t -170.7 -83.34 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.01 0.924 . . . . 71.439999999999998 110.101 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -115.6 139.67 49.88 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.784 0.834 . . . . 70.420000000000002 111.073 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.576 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 75.0 mt -152.78 -68.4 0.16 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.919 1.687 . . . . 72.230000000000004 107.828 -177.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 64.8 117.52 0.02 OUTLIER 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.164 1.786 . . . . 62.409999999999997 112.261 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.48 -30.77 69.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.01 0.924 . . . . 61.229999999999997 111.389 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.671 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.6 mtp -62.8 -46.07 89.69 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.877 0.471 . . . . 64.120000000000005 111.06 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.65 -39.81 94.33 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.401 1.081 . . . . 71.109999999999999 111.659 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -69.46 -38.14 77.62 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.889 0.476 . . . . 73.230000000000004 110.553 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.423 ' O ' ' HG ' ' B' ' 36' ' ' LEU . 99.1 m -65.53 -39.84 92.24 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.158 0.583 . . . . 72.329999999999998 111.607 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -63.74 -36.39 83.7 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.095 0.958 . . . . 74.340000000000003 111.489 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -60.79 -51.3 69.93 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.4 0.68 . . . . 43.32 110.372 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -65.88 -28.03 68.65 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 113.42 0.896 . . . . 71.519999999999996 113.42 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.439 ' O ' HG23 ' B' ' 40' ' ' VAL . 84.0 mt -60.27 -54.47 45.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 109.092 -0.707 . . . . 60.109999999999999 109.092 169.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -63.13 -20.91 65.82 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 113.631 0.974 . . . . 75.150000000000006 113.631 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -85.28 -37.69 19.73 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 122.506 0.322 . . . . 71.430000000000007 111.029 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 62' ' ' ILE . 70.4 mt -91.31 -11.16 38.81 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.368 0.667 . . . . 65.099999999999994 112.573 -175.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 36' ' ' LEU . 58.2 t -99.91 105.72 36.58 Favored Pre-proline 0 N--CA 1.49 1.554 0 C-N-CA 123.337 0.655 . . . . 63.350000000000001 110.731 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.52 -2.5 12.29 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.497 2.132 . . . . 54.539999999999999 113.166 173.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.66 -12.65 80.6 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.884 -0.398 . . . . 75.409999999999997 114.063 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.15 119.48 49.43 Favored Pre-proline 0 CA--C 1.567 1.617 0 C-N-CA 123.553 0.741 . . . . 73.329999999999998 111.189 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.54 142.98 55.44 Favored 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.817 2.344 . . . . 71.129999999999995 112.444 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' B' ' 45' ' ' ARG . 3.2 mpt_? -75.88 132.41 40.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 72.219999999999999 110.543 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.99 -14.01 40.7 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-O 119.771 -0.461 . . . . 73.329999999999998 114.225 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -83.58 114.72 21.73 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 117.58 0.69 . . . . 73.040000000000006 110.974 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -76.16 120.71 21.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.018 0.527 . . . . 64.530000000000001 110.309 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.82 130.69 53.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.461 0.704 . . . . 60.409999999999997 111.542 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.9 t -79.43 172.66 13.48 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.092 0.557 . . . . 74.329999999999998 110.959 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -46.92 -48.34 21.4 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.57 1.148 . . . . 61.310000000000002 113.456 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.56 HG12 HE21 ' B' ' 56' ' ' GLN . 11.8 t -72.62 -40.3 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 114.959 -1.019 . . . . 71.099999999999994 111.212 -177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -59.35 -33.73 71.51 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.134 0.974 . . . . 71.400000000000006 111.912 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 58' ' ' VAL . 90.6 mt -58.71 -56.36 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.59 0.756 . . . . 71.5 110.466 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.506 HD22 HD11 ' A' ' 36' ' ' LEU . 88.8 mt -60.55 -38.26 83.92 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.842 0.857 . . . . 71.140000000000001 112.605 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.56 HE21 HG12 ' B' ' 52' ' ' VAL . 74.5 mt-30 -57.5 -51.42 69.52 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.969 0.908 . . . . 73.120000000000005 111.492 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -75.44 -19.13 59.66 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 112.773 0.657 . . . . 63.420000000000002 112.773 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.454 ' O ' HG13 ' B' ' 62' ' ' ILE . 78.0 t -68.21 -43.82 84.53 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 109.683 -0.488 . . . . 74.310000000000002 109.683 167.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.36 -49.87 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.029 0.532 . . . . 73.510000000000005 110.567 173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.16 -37.28 79.67 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.812 0.845 . . . . 73.319999999999993 112.662 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 79.7 t80 -58.92 -48.03 82.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.471 1.108 . . . . 71.409999999999997 111.138 175.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 39' ' ' LEU . 60.5 mt -69.98 -38.58 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.729 0.812 . . . . 43.530000000000001 111.247 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.12 -34.11 74.54 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.923 0.889 . . . . 64.030000000000001 112.696 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.86 -36.12 82.88 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.973 0.909 . . . . 75.219999999999999 111.222 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 61' ' ' TYR . 73.2 mt -73.63 -41.83 62.26 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.632 0.773 . . . . 74.140000000000001 111.692 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.5 HE21 HG22 ' B' ' 62' ' ' ILE . 47.2 mt-30 -93.74 -175.65 3.81 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.348 -0.842 . . . . 65.519999999999996 112.839 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.24 132.61 32.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 C-N-CA 123.79 0.836 . . . . 72.0 112.355 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.493 1.701 0 C-N-CA 124.614 1.166 . . . . 73.400000000000006 110.6 175.002 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.258 0.075 . . . . 65.120000000000005 111.01 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.92 140.01 11.07 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.276 0.36 . . . . 74.430000000000007 113.028 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.8 145.92 43.21 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.469 0.707 . . . . 73.150000000000006 110.842 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -71.6 88.93 0.96 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.335 0.654 . . . . 74.109999999999999 111.625 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -108.99 135.09 50.73 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.614 0.766 . . . . 72.530000000000001 109.959 172.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -76.35 120.25 21.34 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 123.428 0.691 . . . . 53.229999999999997 110.855 -176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -126.42 124.43 40.14 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.914 0.886 . . . . 74.549999999999997 109.44 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -119.03 86.08 2.48 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.556 0.742 . . . . 75.420000000000002 109.936 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.9 p -167.79 151.05 5.98 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.457 0.703 . . . . 62.439999999999998 111.388 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -86.47 121.67 29.35 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.483 0.713 . . . . 73.530000000000001 110.52 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtt -83.66 129.19 34.95 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.775 0.83 . . . . 75.25 111.68 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 112.45 3.76 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-N 116.49 -0.323 . . . . 63.240000000000002 113.588 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.49 79.08 1.86 Allowed Glycine 0 CA--C 1.537 1.455 0 CA-C-N 116.724 0.262 . . . . 62.439999999999998 112.89 177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 176.53 53.92 Favored Glycine 0 CA--C 1.541 1.718 0 N-CA-C 114.181 0.432 . . . . 63.100000000000001 114.181 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -78.56 174.18 11.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.447 0.699 . . . . 74.510000000000005 111.817 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.75 -112.51 0.97 Allowed Glycine 0 CA--C 1.537 1.454 0 CA-C-O 119.197 -0.779 . . . . 51.130000000000003 112.545 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.18 157.44 33.73 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.828 2.352 . . . . 75.349999999999994 113.765 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.89 -72.31 0.66 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.641 0.776 . . . . 51.32 111.049 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.77 120.22 3.81 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.631 0.772 . . . . 72.129999999999995 110.022 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -135.03 118.44 16.8 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.714 0.805 . . . . 70.540000000000006 110.747 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -85.87 148.47 48.41 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 123.728 0.811 . . . . 72.209999999999994 110.567 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.13 129.09 33.42 Favored 'Trans proline' 0 C--N 1.383 2.375 0 C-N-CA 123.043 2.495 . . . . 73.519999999999996 112.889 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.21 73.03 0.93 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.793 0.837 . . . . 71.519999999999996 110.764 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -159.35 160.8 35.45 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.642 1.177 . . . . 34.030000000000001 109.942 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.83 146.57 53.56 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.088 0.471 . . . . 75.010000000000005 111.3 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.51 -176.98 3.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.356 0.662 . . . . 71.549999999999997 110.565 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.68 60.68 5.38 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.192 0.597 . . . . 74.129999999999995 110.627 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.03 -43.25 60.86 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 123.903 0.881 . . . . 75.450000000000003 112.099 -174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.2 ttm -65.38 -42.96 92.16 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 114.569 -1.196 . . . . 65.200000000000003 112.62 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -69.71 -38.92 77.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.847 0.459 . . . . 74.409999999999997 111.582 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -57.94 -44.42 86.95 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.455 0.702 . . . . 63.299999999999997 110.8 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' HB3' ' HB3' ' B' ' 55' ' ' LEU . 99.0 m -63.74 -45.85 88.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.35 -0.841 . . . . 72.430000000000007 112.053 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -65.93 -36.16 82.59 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.646 0.778 . . . . 54.340000000000003 112.519 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.6 m -65.79 -43.79 87.66 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.696 0.398 . . . . 62.119999999999997 110.308 174.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -31.46 69.65 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.734 -0.667 . . . . 73.430000000000007 111.316 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.8 mt -58.41 -54.84 42.44 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.44 -0.578 . . . . 62.229999999999997 109.44 171.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.2 -25.9 59.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.291 1.036 . . . . 75.040000000000006 112.624 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.57 -44.32 35.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.721 0.409 . . . . 55.25 111.036 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HB3' HG21 ' B' ' 62' ' ' ILE . 91.0 mt -76.11 -17.49 59.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.173 0.589 . . . . 64.25 111.974 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 61' ' ' TYR . 59.9 t -100.56 101.49 15.45 Favored Pre-proline 0 N--CA 1.486 1.339 0 C-N-CA 123.608 0.763 . . . . 62.210000000000001 111.406 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 13.0 Cg_exo -71.59 -10.09 26.12 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.149 2.566 . . . . 55.439999999999998 112.559 170.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.23 -13.48 53.97 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 123.437 0.542 . . . . 25.239999999999998 114.272 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG22 ' HG2' ' A' ' 57' ' ' ARG . 24.4 t -81.65 114.39 49.63 Favored Pre-proline 0 CA--C 1.562 1.408 0 C-N-CA 123.304 0.642 . . . . 73.099999999999994 110.029 170.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.38 -178.81 1.6 Allowed 'Trans proline' 0 CA--C 1.563 1.947 0 C-N-CA 122.473 2.115 . . . . 72.040000000000006 113.501 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -68.52 110.53 4.24 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.541 0.737 . . . . 73.319999999999993 112.053 -173.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.64 22.48 75.25 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 115.056 0.783 . . . . 42.32 115.056 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.2 m -73.63 111.0 8.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.152 0.581 . . . . 61.219999999999999 111.582 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -81.78 110.5 17.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.771 0.828 . . . . 73.430000000000007 111.26 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.03 146.15 42.4 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.869 0.867 . . . . 75.230000000000004 110.63 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.6 p -71.65 164.64 25.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 109.888 -0.412 . . . . 74.430000000000007 109.888 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -55.89 -31.18 62.61 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 123.114 0.566 . . . . 74.040000000000006 111.911 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' B' ' 29' ' ' MET . 2.9 t -69.55 -47.72 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.271 0.629 . . . . 53.420000000000002 110.298 176.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.1 -26.49 65.84 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 115.302 -0.863 . . . . 75.310000000000002 112.535 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.8 mt -65.3 -48.35 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 N-CA-C 109.339 -0.615 . . . . 75.239999999999995 109.339 172.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.53 -45.07 69.65 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.339 0.656 . . . . 65.420000000000002 111.681 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.47 HE21 HG12 ' A' ' 52' ' ' VAL . 69.6 mt-30 -65.29 -36.93 85.6 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.184 0.994 . . . . 74.5 112.158 177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.582 ' HG2' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -70.57 -34.47 72.24 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.804 0.442 . . . . 73.340000000000003 110.631 178.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ILE . 86.6 t -69.13 -39.86 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 115.57 -0.741 . . . . 71.340000000000003 110.432 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.75 -49.75 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.276 0.63 . . . . 73.409999999999997 110.339 173.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.0 -39.99 83.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.961 0.904 . . . . 75.340000000000003 111.547 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 40' ' ' VAL . 63.9 t80 -65.23 -46.25 81.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.636 0.775 . . . . 72.420000000000002 112.52 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 48.1 mt -68.61 -33.23 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 109.568 -0.53 . . . . 72.049999999999997 109.568 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.86 -35.9 75.75 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.207 0.603 . . . . 74.439999999999998 111.775 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 61' ' ' TYR . 24.0 t70 -61.17 -32.39 72.13 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.322 0.649 . . . . 63.420000000000002 111.51 172.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.79 -30.52 22.96 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.632 0.773 . . . . 73.439999999999998 112.514 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 62' ' ' ILE . 12.6 mm-40 -90.12 -65.55 1.01 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.376 0.67 . . . . 72.120000000000005 111.528 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -118.84 108.23 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.81 0.844 . . . . 45.219999999999999 110.443 -172.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 CA--C 1.569 1.693 0 C-N-CA 123.124 0.57 . . . . 53.329999999999998 111.365 -176.818 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 112.276 0.473 . . . . 64.109999999999999 112.276 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.32 55.99 2.42 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 122.691 0.186 . . . . 64.319999999999993 113.518 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -85.01 53.86 2.89 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.568 0.747 . . . . 71.230000000000004 110.926 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.419 ' HB3' ' HD2' ' B' ' 6' ' ' HIS . 71.2 m80 -106.96 110.83 23.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.811 0.845 . . . . 73.329999999999998 110.643 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -87.55 54.89 3.29 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 122.154 0.978 . . . . 74.329999999999998 111.507 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.419 ' HD2' ' HB3' ' B' ' 4' ' ' HIS . 87.0 m-70 -111.34 38.65 2.51 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 114.855 -1.066 . . . . 51.109999999999999 108.702 174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -106.39 17.75 22.94 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.665 1.186 . . . . 73.310000000000002 112.048 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -85.77 56.47 3.98 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.763 0.825 . . . . 71.129999999999995 112.23 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.8 t -158.13 152.25 24.18 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.779 0.832 . . . . 70.109999999999999 110.495 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -131.7 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.55 0.74 . . . . 62.32 110.231 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 26.4 ttt 54.14 90.93 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.882 1.273 . . . . 74.209999999999994 111.807 -174.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.09 -142.18 4.55 Favored Glycine 0 CA--C 1.535 1.341 0 CA-C-N 116.22 -0.446 . . . . 71.120000000000005 113.963 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.68 111.51 0.47 Allowed Glycine 0 C--N 1.344 0.982 0 CA-C-N 116.739 0.269 . . . . 53.409999999999997 112.938 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.98 24.76 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 122.735 0.207 . . . . 74.239999999999995 112.935 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -74.72 99.62 3.76 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.366 0.666 . . . . 74.049999999999997 110.421 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.51 167.27 53.88 Favored Glycine 0 CA--C 1.541 1.687 0 CA-C-O 119.658 -0.523 . . . . 74.439999999999998 113.633 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.46 165.46 29.09 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 123.045 2.497 . . . . 64.430000000000007 113.534 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.24 159.01 42.52 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.972 0.909 . . . . 75.129999999999995 110.991 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.7 -177.06 0.16 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.744 1.217 . . . . 60.210000000000001 113.789 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -122.48 159.47 27.59 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.862 0.865 . . . . 74.349999999999994 109.891 170.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.46 152.93 75.76 Favored Pre-proline 0 N--CA 1.482 1.161 0 C-N-CA 122.977 0.511 . . . . 71.450000000000003 110.567 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.13 142.36 91.76 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.703 2.269 . . . . 72.540000000000006 111.749 166.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.65 81.1 0.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.458 0.647 . . . . 63.020000000000003 110.667 178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.3 p -164.83 109.1 0.91 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.192 0.997 . . . . 75.099999999999994 110.571 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -81.16 112.69 18.74 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.699 -0.852 . . . . 73.049999999999997 108.699 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -156.57 -55.57 0.08 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.613 -0.884 . . . . 63.140000000000001 108.613 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 63.36 84.95 0.14 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.807 1.243 . . . . 64.200000000000003 112.041 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.54 -28.89 67.38 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.787 0.835 . . . . 72.040000000000006 111.325 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 52' ' ' VAL . 26.3 mtp -65.42 -46.89 78.19 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.612 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.2 -29.16 69.94 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.519 0.728 . . . . 75.420000000000002 111.181 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -62.54 -47.25 84.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.726 0.81 . . . . 74.430000000000007 110.628 173.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.94 -40.49 87.58 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.386 -0.825 . . . . 31.140000000000001 111.419 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -62.61 -36.58 83.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.04 0.936 . . . . 74.200000000000003 111.983 176.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' B' ' 38' ' ' GLU . 32.4 t -65.19 -40.81 94.74 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.199 0.6 . . . . 73.129999999999995 110.938 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -71.75 -30.97 66.17 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.73 0.412 . . . . 61.409999999999997 111.847 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' HG23 ' B' ' 40' ' ' VAL . 83.7 mt -60.66 -47.36 86.61 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.649 0.379 . . . . 73.319999999999993 110.397 171.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -53.33 -27.41 23.17 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.932 0.893 . . . . 73.230000000000004 113.154 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 34' ' ' SER . 21.8 mm-40 -84.68 -36.37 21.95 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.883 0.873 . . . . 75.109999999999999 110.459 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.4 ' HB3' HG21 ' A' ' 62' ' ' ILE . 81.9 mt -85.02 -6.95 59.32 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.08 0.952 . . . . 45.520000000000003 113.232 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 36' ' ' LEU . 47.1 t -112.44 95.14 30.29 Favored Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 123.024 0.529 . . . . 71.530000000000001 111.062 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.83 -8.1 18.65 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.848 2.365 . . . . 72.519999999999996 113.716 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 7.11 31.8 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 114.58 0.592 . . . . 55.130000000000003 114.58 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.89 116.9 64.45 Favored Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 123.368 0.667 . . . . 65.400000000000006 110.19 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.75 172.53 6.84 Favored 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.412 2.741 . . . . 71.310000000000002 113.946 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -71.71 84.71 0.9 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.299 0.64 . . . . 71.349999999999994 110.206 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.9 122.59 0.65 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 116.003 -0.544 . . . . 63.140000000000001 112.262 -172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 8.1 t -160.5 175.19 13.02 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.474 0.71 . . . . 72.540000000000006 110.913 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -111.96 89.96 3.21 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 122.048 0.927 . . . . 74.439999999999998 110.903 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -105.42 100.55 10.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.752 0.821 . . . . 71.400000000000006 110.34 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -82.71 -80.94 0.16 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.562 0.345 . . . . 63.109999999999999 110.796 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -143.87 -56.07 0.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.236 0.614 . . . . 71.010000000000005 110.393 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.25 -36.99 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 123.085 0.554 . . . . 71.349999999999994 110.361 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -57.12 -40.76 77.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.739 0.816 . . . . 74.040000000000006 111.491 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 58' ' ' VAL . 69.1 mt -65.19 -48.79 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-N 115.314 -0.857 . . . . 52.32 110.45 177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 32' ' ' CYS . 90.1 mt -57.0 -49.58 75.33 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.352 0.661 . . . . 73.319999999999993 112.086 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.97 -38.45 91.16 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.397 1.079 . . . . 74.430000000000007 111.768 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -71.56 -33.62 69.26 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.28 0.632 . . . . 74.019999999999996 111.638 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 54' ' ' ILE . 68.3 t -67.16 -46.36 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.978 0.511 . . . . 62.0 110.456 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.28 -49.11 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.024 0.53 . . . . 73.439999999999998 110.642 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.38 -37.68 81.54 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.371 0.669 . . . . 63.299999999999997 111.56 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.96 -51.61 68.51 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.774 0.83 . . . . 71.239999999999995 111.122 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 39' ' ' LEU . 69.9 mt -65.27 -46.09 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 CA-C-N 115.1 -0.954 . . . . 74.450000000000003 111.323 -177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.27 -33.06 72.92 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.709 0.803 . . . . 62.32 111.865 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.12 -31.03 67.25 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.518 0.727 . . . . 72.019999999999996 111.155 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.0 mt -77.36 -43.7 31.96 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.008 0.523 . . . . 75.439999999999998 111.632 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.36 -38.64 81.63 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.656 0.782 . . . . 54.350000000000001 111.799 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 43.9 t 60.36 96.61 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.52 0 C-N-CA 124.955 1.302 . . . . 74.450000000000003 112.132 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 CA--C 1.578 2.023 0 C-N-CA 124.985 1.314 . . . . 75.019999999999996 112.181 178.266 . . . . . . . . 0 0 . 1 stop_ save_