data_1ahd_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 1ahd _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 107.657 -1.238 . . . . 4.9800000000000004 107.657 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -77.93 109.91 12.39 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.149 -1.426 . . . . 4.0 107.149 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.89 146.75 29.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.381 0.672 . . . . 3.4100000000000001 112.408 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -24.28 -64.93 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 127.892 2.477 . . . . 9.0700000000000003 113.756 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -47.93 -44.38 29.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.11 0.868 . . . . 5.5499999999999998 111.885 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -62.96 -53.74 49.32 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.173 -1.417 . . . . 3.8199999999999998 107.173 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -20.75 34.15 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.676 1.19 . . . . 2.75 113.923 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.31 -68.49 0.38 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.723 -1.236 . . . . 4.3899999999999997 110.294 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.6 -33.33 70.93 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.026 -0.534 . . . . 3.73 110.143 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.41 -40.77 87.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 123.198 0.311 . . . . 2.75 110.566 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.79 -45.82 88.99 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.861 0.755 . . . . 3.8300000000000001 110.926 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -62.57 -47.73 82.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 4.9199999999999999 110.128 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -51.74 -58.42 6.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 122.001 -0.437 . . . . 3.27 109.881 169.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.25 -46.22 35.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.394 0.678 . . . . 4.6600000000000001 111.332 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -52.25 -49.12 64.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.181 0.592 . . . . 5.5099999999999998 110.192 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -69.81 -45.14 68.54 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.934 0.494 . . . . 6.6500000000000004 112.069 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.32 98.92 1.88 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.524 1.53 . . . . 3.1299999999999999 111.28 -163.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -63.65 -55.22 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.104 -1.073 . . . . 5.6600000000000001 108.104 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -66.35 126.19 27.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.085 1.354 . . . . 4.3700000000000001 107.988 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mp -107.55 135.12 49.54 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 105.304 -2.109 . . . . 3.0600000000000001 105.304 162.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -57.36 136.19 56.57 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.976 -1.49 . . . . 5.6200000000000001 106.976 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -33.42 -72.32 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.171 1.789 . . . . 7.7400000000000002 113.709 -159.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -74.52 0.26 15.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.581 0.956 . . . . 11.789999999999999 113.581 -168.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.2 79.98 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.305 -1.497 . . . . 5.2400000000000002 108.079 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -51.49 -43.27 62.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.935 -1.103 . . . . 6.1799999999999997 110.352 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.36 -47.89 86.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 124.242 1.017 . . . . 3.71 109.501 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.09 -44.3 91.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 109.169 -0.678 . . . . 4.2400000000000002 109.169 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -56.58 -52.13 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.515 -0.741 . . . . 3.27 109.632 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -43.34 61.88 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.005 0.922 . . . . 1.9299999999999999 111.577 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -71.66 -50.2 32.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 119.651 -0.214 . . . . 2.8500000000000001 110.78 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.43 16.23 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.267 0.84 . . . . 2.79 113.267 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 68.0 mt -106.31 -8.35 17.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.519 1.303 . . . . 2.8399999999999999 114.519 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 66.51 53.93 0.92 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.173 0.897 . . . . 2.6000000000000001 112.462 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -120.54 -172.26 2.34 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.886 2.074 . . . . 2.5099999999999998 106.965 173.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.77 151.38 25.78 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.917 -1.114 . . . . 3.04 108.662 173.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.01 -50.8 10.5 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.885 0.874 . . . . 3.6400000000000001 110.274 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -36.21 -60.62 0.55 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.318 1.847 . . . . 6.8200000000000003 109.81 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.13 -32.42 73.98 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.985 0.914 . . . . 2.5800000000000001 110.798 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -74.34 -25.29 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.188 -0.945 . . . . 1.8300000000000001 110.898 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.91 -60.22 3.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.193 -1.567 . . . . 3.3599999999999999 107.111 164.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -57.98 -53.42 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 124.888 1.275 . . . . 1.5600000000000001 111.696 -162.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -50.1 -46.69 53.82 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.097 0.951 . . . . 1.78 110.167 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -69.17 -47.32 65.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.773 -0.579 . . . . 2.1200000000000001 110.099 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.15 -57.99 9.06 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.461 1.104 . . . . 4.6699999999999999 108.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -48.39 -54.49 13.82 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.112 1.365 . . . . 4.0300000000000002 112.143 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -53.29 -54.89 29.73 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 121.274 -0.17 . . . . 4.5 111.084 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -49.56 -55.86 11.98 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.434 1.094 . . . . 5.5 111.593 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -59.36 1.84 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.11 1.364 . . . . 2.5600000000000001 110.478 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -68.87 -50.28 51.13 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.127 -0.488 . . . . 6.1100000000000003 109.754 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 t90 . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 125.358 1.463 . . . . 3.0600000000000001 111.8 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 106.843 -1.54 . . . . 7.5599999999999996 106.843 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -48.52 148.44 2.02 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.679 1.192 . . . . 4.3300000000000001 110.632 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -69.28 157.49 36.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.9 -0.5 . . . . 3.96 110.236 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -54.65 -52.43 62.34 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.465 -0.939 . . . . 8.0800000000000001 108.465 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -46.11 -54.71 8.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.309 1.044 . . . . 4.1200000000000001 111.697 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -59.13 -56.09 26.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.792 -0.447 . . . . 3.5600000000000001 109.792 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.45 -39.16 64.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.73 0.3 . . . . 3.9900000000000002 110.881 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.56 -54.59 35.27 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.31 1.044 . . . . 4.8899999999999997 112.983 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.55 -30.63 33.03 Favored 'General case' 0 CA--C 1.522 -0.126 0 O-C-N 121.88 -0.513 . . . . 3.6000000000000001 110.843 -175.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.85 -50.22 73.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.675 -0.491 . . . . 2.2999999999999998 109.675 172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -58.5 -39.37 79.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.459 -0.776 . . . . 4.5999999999999996 111.55 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -53.89 -60.65 3.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.166 -0.445 . . . . 7.4100000000000001 109.915 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.77 -39.89 78.49 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.331 0.969 . . . . 3.4900000000000002 110.444 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.08 -37.76 72.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.934 -0.479 . . . . 2.5699999999999998 111.937 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -76.79 -50.62 13.07 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.117 0.967 . . . . 6.7999999999999998 110.115 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.62 -37.92 80.13 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.56 1.544 . . . . 5.2999999999999998 111.46 -167.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.9 -111.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.801 1.641 . . . . 3.8100000000000001 106.667 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -161.07 -52.0 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 120.371 1.441 . . . . 5.5099999999999998 109.951 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.46 9.31 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.892 0.701 . . . . 7.9400000000000004 112.892 -156.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.43 150.3 0.1 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.351 1.46 . . . . 3.6299999999999999 109.354 -171.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -67.87 -72.76 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.048 0.939 . . . . 5.1799999999999997 109.976 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -159.43 -88.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 6.8600000000000003 107.404 171.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -52.01 -32.67 34.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.804 2.093 . . . . 8.0099999999999998 113.401 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -44.53 -35.96 2.76 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.381 0.992 . . . . 4.4500000000000002 112.037 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -50.39 -55.1 17.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.42 1.488 . . . . 4.1500000000000004 110.796 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.49 -48.78 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.067 0.947 . . . . 3.7799999999999998 108.53 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.0 -39.08 93.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.624 0.37 . . . . 3.6800000000000002 111.573 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -57.57 -58.75 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 125.173 1.389 . . . . 3.3199999999999998 108.277 170.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.48 55.45 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.73 -0.668 . . . . 2.75 111.054 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.72 -52.37 63.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.179 0.591 . . . . 3.3100000000000001 110.884 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.85 3.78 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.495 0.718 . . . . 2.5899999999999999 110.628 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.28 -16.94 63.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.598 0.759 . . . . 2.77 111.533 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m 64.18 38.92 7.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.861 2.064 . . . . 2.4300000000000002 110.772 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.44 179.82 4.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.711 1.605 . . . . 2.7999999999999998 107.691 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -89.09 146.84 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.291 1.037 . . . . 3.0600000000000001 109.759 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -46.51 -44.11 17.42 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 118.439 0.563 . . . . 3.2999999999999998 109.961 170.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttm105 -46.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.347 0.659 . . . . 4.4699999999999998 109.856 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -55.36 -41.14 72.15 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.726 -0.609 . . . . 5.5300000000000002 110.491 -172.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.51 -52.65 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 109.976 -0.379 . . . . 1.8 109.976 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -53.8 -48.36 69.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 120.928 -1.107 . . . . 3.1699999999999999 109.5 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.734 0.697 . . . . 2.1899999999999999 111.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -53.83 -59.65 4.35 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.106 0.866 . . . . 2.3100000000000001 109.838 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.94 -50.4 74.21 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.466 -0.772 . . . . 1.8999999999999999 110.443 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -43.2 -68.6 0.18 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.707 1.603 . . . . 4.6900000000000004 109.469 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . 0.263 21.0 p30 -66.7 -38.86 87.6 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.103 -0.373 . . . . 4.1200000000000001 111.705 -166.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -55.6 -54.35 45.21 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.417 -0.586 . . . . 3.75 109.417 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttp85 -56.3 -37.96 70.6 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.967 -1.083 . . . . 5.4500000000000002 111.716 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.81 -46.86 80.24 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.163 0.506 . . . . 2.4700000000000002 110.065 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -93.21 41.32 1.08 Allowed 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.3 1.44 . . . . 5.5999999999999996 111.702 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.4 t90 . . . . . 0 N--CA 1.435 -1.216 0 C-N-CA 125.419 1.488 . . . . 4.1399999999999997 107.762 -177.566 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.234 0.288 0 N-CA-C 106.547 -1.649 . . . . 5.4100000000000001 106.547 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -105.2 146.85 28.7 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.395 0.678 . . . . 3.96 110.808 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -70.48 -90.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.445 0.698 . . . . 4.4400000000000004 109.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -172.94 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.714 2.406 . . . . 8.0999999999999996 107.19 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -43.36 -48.76 7.01 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.198 1.399 . . . . 4.1799999999999997 110.997 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.59 -56.99 14.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.573 -0.899 . . . . 3.2400000000000002 108.573 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.08 82.97 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.808 1.243 . . . . 2.9500000000000002 111.822 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.23 -47.12 72.54 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.474 -0.766 . . . . 4.0999999999999996 112.346 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.77 -52.82 10.52 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 124.559 1.144 . . . . 5.0899999999999999 110.044 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.56 -38.11 59.45 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.615 -1.175 . . . . 2.4900000000000002 108.927 -164.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.53 -42.72 83.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.642 -0.661 . . . . 3.1099999999999999 110.365 167.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -59.06 -48.83 80.15 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.459 -0.776 . . . . 5.8300000000000001 110.681 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.6 -51.86 65.73 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 121.638 -0.664 . . . . 3.2999999999999998 109.343 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.8 -43.89 81.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.421 0.629 . . . . 2.6200000000000001 110.659 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -64.16 -33.08 74.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.16 0.984 . . . . 6.1600000000000001 111.318 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.77 -70.74 0.22 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.353 0.661 . . . . 4.7699999999999996 109.38 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.81 -165.09 1.19 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.24 1.016 . . . . 4.7400000000000002 109.551 170.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -118.72 -27.84 5.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.575 0.75 . . . . 4.7300000000000004 112.831 -171.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -93.02 78.31 4.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.368 -0.975 . . . . 5.0800000000000001 108.368 -176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.52 150.3 15.58 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.689 -0.804 . . . . 2.5800000000000001 110.098 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -72.32 157.73 37.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.107 0.963 . . . . 4.5099999999999998 108.434 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -64.21 -51.66 62.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 106.927 -1.509 . . . . 7.2000000000000002 106.927 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -75.6 40.8 0.18 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.543 0.687 . . . . 6.8499999999999996 111.592 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -129.6 -47.19 1.16 Allowed 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.503 -1.295 . . . . 5.6600000000000001 107.503 143.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -62.15 -30.29 70.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.803 0.841 . . . . 5.2699999999999996 112.275 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.18 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 107.722 -1.214 . . . . 3.4399999999999999 107.722 167.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.45 -51.68 34.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.239 1.815 . . . . 4.0800000000000001 110.245 -169.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -41.31 -61.83 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 128.164 2.586 . . . . 2.6499999999999999 110.687 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.01 57.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.824 0.85 . . . . 1.6699999999999999 110.626 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -66.28 -41.55 89.69 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.235 0.541 . . . . 2.7400000000000002 110.13 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.47 82.66 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 124.342 1.057 . . . . 2.3300000000000001 111.918 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.0 mt -91.54 -14.19 30.78 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.044 0.538 . . . . 2.6099999999999999 111.996 175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 39.6 m 51.85 67.35 0.98 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.994 0.917 . . . . 2.27 109.606 -164.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.94 155.55 45.88 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.51 -2.033 . . . . 2.0699999999999998 105.51 165.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' THR . . . . . 0.422 ' HG1' ' CD ' ' P' ' 44' ' ' GLN . 78.0 p -69.37 150.97 46.72 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.761 -0.829 . . . . 3.2999999999999998 108.761 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.54 -37.36 72.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.582 -0.699 . . . . 3.48 109.754 170.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -40.22 -69.41 0.13 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.204 1.002 . . . . 4.4199999999999999 110.22 164.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . 0.422 ' CD ' ' HG1' ' P' ' 41' ' ' THR . 22.2 mt-30 -57.06 -37.97 72.59 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.675 -0.641 . . . . 2.5699999999999998 111.169 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.61 -55.58 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.286 0.948 . . . . 1.52 110.371 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -48.81 -55.58 11.16 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.357 -0.979 . . . . 3.3700000000000001 108.357 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.08 -47.53 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.182 0.993 . . . . 1.49 111.862 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -53.54 -51.91 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.171 -0.956 . . . . 1.54 108.935 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -62.26 -46.29 89.47 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 121.586 -0.696 . . . . 1.8600000000000001 110.331 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -49.32 -58.49 4.99 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.203 1.401 . . . . 4.6699999999999999 108.974 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -51.5 -51.36 55.81 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 122.385 1.088 . . . . 3.5699999999999998 108.235 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -62.33 -56.61 16.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.407 -0.815 . . . . 4.4000000000000004 110.141 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -53.05 -44.86 67.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.139 1.375 . . . . 5.8799999999999999 110.764 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -73.43 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.909 0.483 . . . . 2.21 110.258 171.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -55.14 -43.47 74.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.743 -0.598 . . . . 4.9199999999999999 111.612 -168.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 11.1 t90 . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 127.005 2.122 . . . . 3.04 113.568 -179.206 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 107.459 -1.312 . . . . 5.0899999999999999 107.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -75.15 162.46 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.367 -0.975 . . . . 4.7199999999999998 108.367 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -84.81 159.24 20.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.779 -1.193 . . . . 3.1699999999999999 107.779 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -64.57 -51.19 64.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 107.661 -1.237 . . . . 7.2599999999999998 107.661 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -37.68 -56.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.502 1.521 . . . . 4.5499999999999998 113.148 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.74 -44.2 78.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.936 -0.706 . . . . 4.2199999999999998 110.499 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -52.96 -42.94 65.97 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.111 0.564 . . . . 3.21 110.341 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.97 -48.82 51.96 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.085 0.954 . . . . 4.25 113.258 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -76.96 -30.06 55.86 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.606 0.639 . . . . 5.0499999999999998 110.308 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -48.61 75.54 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.521 0.729 . . . . 3.2400000000000002 110.032 172.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.93 -44.05 70.31 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.358 -0.839 . . . . 3.46 111.151 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.52 -32.5 73.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.266 0.626 . . . . 6.5199999999999996 112.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.46 -41.24 93.61 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.264 -0.897 . . . . 3.3500000000000001 109.036 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.63 -25.97 64.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.812 -0.555 . . . . 2.75 111.783 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.41 -53.91 30.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.469 -0.937 . . . . 5.4699999999999998 108.469 172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -57.98 -48.84 78.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.764 0.826 . . . . 5.6699999999999999 111.351 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 164.14 28.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.405 1.082 . . . . 4.1100000000000003 109.749 -158.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -116.03 -55.71 2.38 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.837 -0.54 . . . . 5.3700000000000001 109.699 166.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -95.56 102.66 14.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.237 1.415 . . . . 5.2000000000000002 109.673 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.82 135.71 55.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.607 -1.257 . . . . 2.5899999999999999 107.607 174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -68.18 115.35 7.55 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.555 -1.646 . . . . 3.9700000000000002 106.555 166.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 23.57 -98.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.956 2.102 . . . . 6.4100000000000001 113.675 165.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -71.11 -18.52 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 118.758 -0.639 . . . . 8.9399999999999995 111.544 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -46.07 -42.28 13.3 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 119.802 1.183 . . . . 4.2999999999999998 109.449 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -61.16 -38.37 86.21 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.314 -0.866 . . . . 5.1200000000000001 111.768 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -68.43 -45.86 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 124.235 1.014 . . . . 3.7799999999999998 109.474 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.06 -48.82 80.13 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 122.101 -0.374 . . . . 3.5 110.154 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.38 -56.87 3.09 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 C-N-CA 125.459 1.504 . . . . 2.75 109.068 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.28 18.86 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.26 0.624 . . . . 2.0699999999999998 111.313 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -57.62 -51.2 70.48 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.837 -0.431 . . . . 3.7400000000000002 109.837 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.09 -53.84 30.41 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.95 0.9 . . . . 3.6400000000000001 111.255 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.32 -20.55 62.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.494 0.718 . . . . 2.5 111.814 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 63.8 m 66.78 51.27 1.05 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.815 1.646 . . . . 2.4199999999999999 110.39 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.11 -151.96 0.49 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.909 1.684 . . . . 2.6899999999999999 106.722 167.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 72.6 p -127.72 161.68 28.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.045 -1.095 . . . . 2.9399999999999999 108.045 168.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -36.62 71.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.169 0.803 . . . . 4.2999999999999998 113.169 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttm105 -37.72 -63.97 0.42 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.868 0.467 . . . . 4.8700000000000001 111.181 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.54 -49.8 55.01 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 123.922 0.764 . . . . 3.8599999999999999 110.966 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.74 -45.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.908 -0.775 . . . . 1.6499999999999999 108.908 -174.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -52.13 -56.19 16.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.568 -0.707 . . . . 4.1200000000000001 109.337 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -56.99 -47.16 83.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 O-C-N 123.238 0.336 . . . . 1.3999999999999999 110.548 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -51.6 -58.94 4.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.709 0.766 . . . . 1.71 109.506 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -64.85 -51.29 62.84 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.022 -1.049 . . . . 2.2799999999999998 111.183 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -41.19 -54.16 2.98 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.302 1.041 . . . . 4.5800000000000001 110.399 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.0 -55.9 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.222 -1.029 . . . . 4.6900000000000004 108.222 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -53.18 -40.29 64.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.992 0.917 . . . . 3.5499999999999998 111.763 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -57.66 -18.1 18.56 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.898 -1.126 . . . . 6.0999999999999996 113.696 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.97 -70.86 0.36 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.502 -1.296 . . . . 2.9900000000000002 107.502 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -49.04 -40.4 31.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.985 1.714 . . . . 6.0800000000000001 113.937 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 C-N-CA 126.591 1.956 . . . . 3.6000000000000001 112.675 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.293 -1.003 . . . . 6.4500000000000002 108.293 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.37 159.81 14.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.179 1.392 . . . . 5.6299999999999999 110.734 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -78.35 127.32 32.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 117.396 -1.287 . . . . 5.2999999999999998 108.501 165.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -44.23 -43.06 6.99 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.911 0.757 . . . . 9.7799999999999994 111.146 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -38.75 -51.51 1.7 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.754 1.221 . . . . 6.71 111.48 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.04 -58.02 10.33 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.634 -0.666 . . . . 4.4900000000000002 109.287 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -52.33 -33.13 41.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.861 1.265 . . . . 5.5700000000000003 111.788 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -59.95 3.83 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.972 0.909 . . . . 8.1300000000000008 111.979 -168.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.52 -36.83 83.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.825 -0.75 . . . . 6.7400000000000002 109.183 -173.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.3 mt -53.62 -44.93 69.89 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.77 1.228 . . . . 3.75 111.779 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.08 -48.35 61.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.43 1.014 . . . . 6.2999999999999998 110.726 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.71 -40.84 97.75 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 110.074 -0.343 . . . . 9.6500000000000004 110.074 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.28 -45.34 93.66 Favored 'General case' 0 C--O 1.224 -0.265 0 O-C-N 121.336 -0.853 . . . . 6.6399999999999997 110.929 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.2 -48.48 81.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.563 0.619 . . . . 3.96 110.253 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.24 -43.02 74.18 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.795 -0.566 . . . . 8.1199999999999992 109.66 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -65.05 -43.51 92.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.4 0.68 . . . . 7.2300000000000004 112.456 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.77 151.74 20.52 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.906 0.883 . . . . 4.5999999999999996 111.772 -161.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -116.93 -40.89 3.08 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.716 1.607 . . . . 4.3300000000000001 109.617 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -91.37 101.34 14.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.491 0.716 . . . . 4.9000000000000004 110.302 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.3 177.92 3.11 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.303 -0.999 . . . . 3.6400000000000001 108.303 165.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 2.2 t -132.34 -177.88 4.67 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.184 -0.673 . . . . 6.3600000000000003 109.184 159.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -85.39 41.54 0.9 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.908 0.883 . . . . 6.6699999999999999 112.522 -158.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -129.03 -53.46 1.21 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.13 -1.433 . . . . 12.460000000000001 107.13 153.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -50.88 -39.55 54.36 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.067 0.849 . . . . 7.46 110.76 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -44.44 -49.25 9.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.226 0.61 . . . . 5.0700000000000003 111.538 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.09 -49.02 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.632 1.173 . . . . 5.96 109.496 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -55.23 -46.92 76.0 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-O 118.574 -0.727 . . . . 7.5999999999999996 111.562 -174.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.22 -60.05 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.355 -0.98 . . . . 4.3200000000000003 108.355 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.99 -56.83 5.0 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.343 1.057 . . . . 3.3199999999999998 110.123 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.28 -41.35 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.142 -0.974 . . . . 5.1399999999999997 112.456 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.76 73.98 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.321 1.049 . . . . 5.04 110.053 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.35 -8.26 48.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.915 0.886 . . . . 5.1900000000000004 111.444 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 66.13 37.07 5.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.659 1.984 . . . . 5.2000000000000002 111.81 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.51 171.9 7.11 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.785 1.634 . . . . 3.0699999999999998 108.778 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 37.3 p -101.1 152.44 20.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.156 0.982 . . . . 3.0 110.427 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -57.06 -39.32 74.69 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.35 -0.844 . . . . 4.9800000000000004 111.812 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -43.07 -63.46 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 108.955 -0.757 . . . . 4.5 108.955 168.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.69 -45.94 81.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.076 -0.712 . . . . 2.77 109.076 -173.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.85 -37.84 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.791 0.723 . . . . 3.2000000000000002 112.343 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -52.14 -61.93 1.96 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.559 -1.274 . . . . 5.2300000000000004 107.559 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.07 -47.25 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 113.356 -1.747 . . . . 2.6400000000000001 109.507 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -51.4 -54.3 27.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.97 0.908 . . . . 3.1699999999999999 110.048 -168.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.06 -54.55 8.25 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 123.799 0.84 . . . . 2.6899999999999999 109.033 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -47.63 -60.6 2.44 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 122.104 0.954 . . . . 7.3499999999999996 109.839 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.39 -22.15 61.17 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.641 -0.662 . . . . 6.4000000000000004 110.575 -167.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.56 -35.81 78.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.878 -1.139 . . . . 5.3300000000000001 110.039 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -56.7 -29.9 62.9 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.774 -1.204 . . . . 4.7199999999999998 111.145 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.0 mmt -89.63 -31.15 17.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.095 0.958 . . . . 2.7200000000000002 110.282 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -57.46 -49.22 76.97 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.863 -0.792 . . . . 5.0599999999999996 108.863 165.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 10.8 t90 . . . . . 0 N--CA 1.427 -1.59 0 C-N-CA 126.523 1.929 . . . . 4.3899999999999997 107.352 171.347 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 107.766 -1.198 . . . . 5.6100000000000003 107.766 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.03 126.53 55.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.608 -1.626 . . . . 4.8799999999999999 106.608 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -92.37 154.84 18.3 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.079 0.952 . . . . 4.9000000000000004 112.706 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -42.31 -55.4 3.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.518 2.327 . . . . 12.539999999999999 111.89 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -62.88 -52.74 61.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.369 0.604 . . . . 5.7599999999999998 111.408 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -30.09 69.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.406 -0.361 . . . . 6.25 110.833 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -65.25 -43.81 90.14 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.616 -0.678 . . . . 4.0599999999999996 110.34 171.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -51.37 4.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.008 1.323 . . . . 7.6399999999999997 113.523 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -45.97 -54.85 7.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 122.582 1.182 . . . . 7.0999999999999996 109.669 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 mt -76.65 -31.08 57.11 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.559 -1.655 . . . . 3.7999999999999998 110.348 -164.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.95 -48.75 67.12 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.561 -0.533 . . . . 5.1600000000000001 109.561 168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.42 -52.67 56.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 119.021 -0.514 . . . . 7.0499999999999998 111.185 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -48.78 -63.04 1.21 Allowed 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.19 -0.67 . . . . 4.4199999999999999 109.19 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.5 -41.88 86.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.794 0.294 . . . . 2.5099999999999998 111.794 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.53 -36.7 62.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.355 0.262 . . . . 4.6900000000000004 110.838 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.62 -48.34 7.35 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.326 1.05 . . . . 6.2599999999999998 112.167 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.83 145.95 12.62 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.592 1.557 . . . . 3.9399999999999999 112.227 -161.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -107.24 -71.37 0.76 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.897 1.279 . . . . 4.6500000000000004 111.93 -170.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.46 127.32 30.98 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.723 -0.611 . . . . 5.3600000000000003 110.472 -168.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.71 164.31 11.92 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.917 0.865 . . . . 4.6799999999999997 110.347 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -84.57 153.08 23.45 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.067 -1.086 . . . . 6.7800000000000002 108.067 158.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -39.58 -64.58 0.46 Allowed 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.613 1.165 . . . . 6.2800000000000002 111.138 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -65.14 -41.08 95.11 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 118.257 -0.878 . . . . 10.359999999999999 110.342 -167.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -51.57 -51.54 54.6 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.995 1.27 . . . . 8.7200000000000006 109.938 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -26.84 68.74 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.98 -0.45 . . . . 6.7000000000000002 111.421 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.08 -52.61 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.046 -1.033 . . . . 5.2300000000000004 110.293 167.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -50.65 -49.36 57.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.922 0.889 . . . . 6.1399999999999997 110.356 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.58 -53.69 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 122.16 0.981 . . . . 4.4800000000000004 108.851 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.01 70.84 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.669 -0.696 . . . . 3.2200000000000002 112.364 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -67.06 -52.22 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.606 -0.438 . . . . 4.2400000000000002 110.467 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.97 22.7 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.526 1.13 . . . . 4.6200000000000001 110.798 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 54.2 mt -80.39 -11.76 59.66 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.385 0.674 . . . . 4.8300000000000001 111.938 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 21.2 m 56.68 58.27 4.23 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 4.1100000000000003 109.496 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -133.35 169.15 17.35 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.144 1.778 . . . . 2.9300000000000002 106.785 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.7 p -66.38 157.81 30.89 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.23 -0.655 . . . . 2.4199999999999999 109.23 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -54.23 -44.97 72.16 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.232 -0.655 . . . . 4.0899999999999999 109.232 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -55.82 -56.56 19.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 119.363 -0.351 . . . . 4.2000000000000002 111.187 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -51.17 -40.42 58.57 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.291 0.496 . . . . 2.73 110.951 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.05 -56.06 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 O-C-N 121.772 -0.58 . . . . 2.5800000000000001 110.931 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.95 -54.64 7.95 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 109.214 -0.661 . . . . 4.0800000000000001 109.214 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -62.37 -41.46 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.584 -0.446 . . . . 1.5800000000000001 110.423 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -52.12 -48.08 65.0 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.942 -0.473 . . . . 2.29 110.291 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -66.28 -60.63 2.6 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.722 -0.611 . . . . 2.8500000000000001 110.944 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.13 -56.89 0.73 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.686 1.995 . . . . 5.9199999999999999 110.935 174.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.45 72.13 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.03 -0.419 . . . . 5.5300000000000002 110.213 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -38.58 81.98 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.798 -0.445 . . . . 4.3099999999999996 109.798 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -61.32 -57.9 10.44 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.058 0.943 . . . . 5.5899999999999999 111.301 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mmt -51.8 -50.54 60.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.5 0.591 . . . . 2.3100000000000001 109.491 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -47.72 -56.65 6.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.891 0.853 . . . . 5.1299999999999999 111.248 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 8.2 t90 . . . . . 0 N--CA 1.44 -0.964 0 CA-C-O 123.394 1.569 . . . . 3.4100000000000001 109.137 -175.557 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.239 0.546 0 N-CA-C 107.669 -1.234 . . . . 5.7599999999999998 107.669 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -76.6 134.66 39.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.591 -2.374 . . . . 4.3899999999999997 104.591 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 59.6 p -67.28 159.17 29.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.028 -0.73 . . . . 5.0 109.028 -171.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -47.83 69.02 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.763 0.71 . . . . 9.9399999999999995 110.148 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -48.16 -49.89 30.81 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.666 0.786 . . . . 3.9399999999999999 111.65 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.73 -52.51 56.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.694 0.398 . . . . 3.6000000000000001 110.144 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -56.39 -51.77 67.11 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.972 -0.381 . . . . 2.9100000000000001 109.972 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.37 -46.72 13.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.964 2.106 . . . . 3.79 112.369 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.65 -62.97 1.31 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.02 -1.104 . . . . 4.8899999999999997 108.02 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.92 -26.66 63.3 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.124 -1.853 . . . . 2.8900000000000001 112.062 -161.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -51.08 -32.37 21.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.316 0.507 . . . . 3.5899999999999999 110.794 167.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -82.05 -51.75 7.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.454 -0.573 . . . . 6.1699999999999999 109.454 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -51.45 -51.28 56.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.665 0.786 . . . . 3.6299999999999999 110.389 -173.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -58.3 -45.63 87.63 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.913 0.485 . . . . 2.4900000000000002 111.468 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -62.91 -21.98 66.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 119.297 -0.382 . . . . 7.3899999999999997 111.364 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.93 -44.94 10.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.898 1.279 . . . . 4.9400000000000004 111.91 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 146.01 6.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.27 1.428 . . . . 2.9700000000000002 109.116 -169.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -127.2 -58.63 1.27 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.838 -0.539 . . . . 6.0999999999999996 110.036 -159.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.18 134.35 45.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.872 -1.899 . . . . 4.71 105.872 165.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.08 155.19 25.33 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.344 -0.984 . . . . 3.5699999999999998 108.344 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.39 139.17 54.09 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 105.562 -2.014 . . . . 5.8300000000000001 105.562 158.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -43.35 -58.93 2.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.322 0.965 . . . . 6.9199999999999999 112.79 -169.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 -58.6 -23.72 59.35 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.276 -0.89 . . . . 6.54 113.111 -176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.17 -31.71 73.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.631 -1.918 . . . . 4.9400000000000004 109.894 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -58.07 -49.89 75.35 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.226 -1.398 . . . . 5.9699999999999998 107.226 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.65 -44.48 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.859 1.264 . . . . 3.9500000000000002 110.916 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.29 -36.2 68.89 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.661 -1.275 . . . . 4.3799999999999999 113.972 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.68 -53.11 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 108.694 -0.854 . . . . 3.2599999999999998 108.694 167.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.02 -48.83 52.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.41 1.084 . . . . 1.9299999999999999 110.535 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.81 -55.32 35.77 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.922 0.489 . . . . 2.96 110.302 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.55 -55.23 20.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.223 0.535 . . . . 2.8100000000000001 110.946 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 mt -77.27 -13.48 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.132 0.79 . . . . 3.4300000000000002 113.132 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.44 36.51 8.81 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.643 1.177 . . . . 2.4399999999999999 110.481 -173.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.46 171.52 7.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.3 -1.37 . . . . 2.3700000000000001 107.3 172.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -85.67 160.74 19.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.529 -0.545 . . . . 2.6299999999999999 109.529 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.42 -48.91 77.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.932 -0.766 . . . . 3.6899999999999999 108.932 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -44.38 -60.84 1.75 Allowed 'General case' 0 C--N 1.338 0.084 0 C-N-CA 124.415 1.086 . . . . 5.2800000000000002 109.236 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -54.46 -40.25 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 119.658 -0.211 . . . . 2.9100000000000001 111.33 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 mm -72.72 -19.78 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 O-C-N 119.981 -1.699 . . . . 1.6000000000000001 112.81 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -64.58 -63.12 1.21 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.231 -1.543 . . . . 3.1699999999999999 106.976 163.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -55.72 -45.26 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 114.636 -1.165 . . . . 1.4099999999999999 111.011 -167.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -51.59 -43.35 62.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.293 -0.879 . . . . 1.8300000000000001 110.799 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -75.84 -54.1 7.44 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.311 1.045 . . . . 2.6099999999999999 111.364 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -48.04 -59.48 3.34 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.233 -1.025 . . . . 6.1100000000000003 108.233 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.37 0.25 1.56 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 125.358 1.463 . . . . 4.0599999999999996 112.767 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -97.1 -64.76 1.01 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 119.617 1.098 . . . . 3.9700000000000002 108.374 163.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -54.09 -39.17 66.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.637 1.562 . . . . 6.9199999999999999 112.128 -170.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -60.95 1.99 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.617 -0.883 . . . . 2.6699999999999999 108.617 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -45.27 -38.37 5.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.727 2.411 . . . . 6.21 112.793 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 . . . . . 0 N--CA 1.444 -0.768 0 C-N-CA 128.299 2.64 . . . . 3.71 107.497 169.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 121.741 0.781 . . . . 5.3300000000000001 109.678 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -80.0 92.26 5.56 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.225 -1.398 . . . . 3.4199999999999999 107.225 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.36 153.7 40.46 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 125.534 1.534 . . . . 3.1400000000000001 110.706 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -46.09 -52.64 11.69 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.439 0.696 . . . . 7.3799999999999999 111.861 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -43.96 -47.9 8.58 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.563 0.745 . . . . 3.7400000000000002 112.108 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -72.68 -51.75 18.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.626 -0.879 . . . . 3.3100000000000001 108.626 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -52.78 -34.22 52.29 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.581 -0.736 . . . . 2.5299999999999998 111.201 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.63 -61.64 2.46 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.064 0.946 . . . . 3.9900000000000002 110.865 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -66.5 -28.51 68.62 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.471 -0.891 . . . . 3.4700000000000002 110.677 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.48 -48.24 64.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.595 1.158 . . . . 2.23 111.457 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.74 -19.55 65.94 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 120.75 -1.219 . . . . 3.4700000000000002 112.011 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -73.68 -59.33 2.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.12 1.368 . . . . 6.0499999999999998 110.565 167.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -45.6 -56.82 4.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.292 1.037 . . . . 2.8799999999999999 110.272 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -43.16 -50.24 6.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.935 1.694 . . . . 2.7999999999999998 111.614 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -56.72 -40.89 76.48 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.068 0.547 . . . . 4.9699999999999998 109.924 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -69.21 -59.3 3.11 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.414 -0.804 . . . . 5.54 110.583 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.77 148.85 37.86 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.484 1.114 . . . . 2.9900000000000002 111.774 -166.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -48.57 6.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.766 1.226 . . . . 4.6399999999999997 109.108 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -83.73 133.04 34.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.333 -1.358 . . . . 4.2800000000000002 107.333 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 127.92 48.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 105.413 -2.069 . . . . 3.2999999999999998 105.413 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -78.6 165.72 23.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 119.055 0.843 . . . . 4.0099999999999998 111.297 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -56.95 119.32 6.07 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.09 -1.818 . . . . 5.1900000000000004 106.09 163.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 85.62 29.07 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 130.743 3.617 . . . . 6.5999999999999996 111.677 -175.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -135.98 -47.66 0.66 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.779 1.232 . . . . 4.3399999999999999 107.831 155.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -50.72 -56.37 12.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.696 1.198 . . . . 5.6699999999999999 109.789 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.72 -49.4 35.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 123.63 0.772 . . . . 3.3799999999999999 109.383 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -61.95 -45.25 94.5 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.791 -0.623 . . . . 4.2400000000000002 110.889 -166.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -70.73 -40.16 76.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 124.096 0.872 . . . . 4.2400000000000002 110.868 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.82 23.89 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 110.057 -0.349 . . . . 1.6899999999999999 110.057 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.92 -52.08 65.52 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.77 -0.581 . . . . 2.6000000000000001 111.162 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.14 -54.3 13.79 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.841 0.856 . . . . 2.3500000000000001 111.707 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -88.39 -4.05 58.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.139 1.376 . . . . 2.6400000000000001 112.362 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 70.61 59.93 0.21 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.664 1.186 . . . . 2.3399999999999999 111.073 171.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 31.5 mt -136.18 -179.21 5.53 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.754 2.022 . . . . 3.4900000000000002 107.415 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -94.06 161.93 14.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.527 0.731 . . . . 3.3300000000000001 109.852 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -46.18 -52.2 12.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.848 0.859 . . . . 3.7799999999999998 111.189 173.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -49.56 -49.1 47.73 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.997 -0.371 . . . . 4.4199999999999999 109.997 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.17 -41.4 97.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.78 -0.575 . . . . 2.6400000000000001 110.728 -171.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.3 -54.23 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 121.453 -0.779 . . . . 1.5600000000000001 109.255 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -46.61 -57.56 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.467 -0.771 . . . . 4.5700000000000003 110.304 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mm -49.23 -59.33 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 C-N-CA 126.207 1.803 . . . . 1.3400000000000001 110.631 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -49.02 -49.82 39.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.746 0.703 . . . . 1.48 110.089 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.74 -48.26 72.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.63 -0.669 . . . . 2.04 110.319 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.72 -55.53 33.71 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.802 -0.561 . . . . 6.54 109.796 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.8 -53.55 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.522 1.129 . . . . 3.73 110.05 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -39.67 66.99 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.316 0.579 . . . . 3.5899999999999999 110.107 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -63.35 -47.77 80.74 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.119 -1.613 . . . . 4.5499999999999998 112.355 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -56.21 -45.53 79.83 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.609 -0.682 . . . . 2.1499999999999999 109.849 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.73 -58.82 5.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.456 1.102 . . . . 7.0199999999999996 111.409 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.447 0 C-N-CA 126.926 2.09 . . . . 3.0099999999999998 114.079 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 106.595 -1.631 . . . . 5.7199999999999998 106.595 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -77.36 125.9 30.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.065 -1.087 . . . . 3.75 108.065 -175.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -61.82 142.18 57.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.459 -1.682 . . . . 4.9199999999999999 106.459 153.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -46.44 -42.21 14.97 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.809 0.731 . . . . 6.9400000000000004 111.351 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -39.09 -47.75 1.59 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.394 1.478 . . . . 6.3399999999999999 113.1 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.11 -49.79 68.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.288 0.495 . . . . 4.1299999999999999 109.67 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.54 -48.14 69.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.496 0.719 . . . . 3.5600000000000001 110.811 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -44.27 -59.64 2.28 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.742 1.015 . . . . 4.29 113.742 -166.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.48 -25.64 64.17 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.079 -1.013 . . . . 4.8300000000000001 112.144 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.88 -35.16 72.24 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.542 0.737 . . . . 2.9900000000000002 109.536 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.29 -41.41 68.86 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.262 -0.899 . . . . 3.1299999999999999 110.549 167.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.37 -38.04 68.61 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.9 0.48 . . . . 5.1100000000000003 110.911 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.43 -49.2 70.54 Favored 'General case' 0 C--O 1.226 -0.154 0 O-C-N 121.233 -0.917 . . . . 3.27 110.119 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.01 -44.81 94.33 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.58 -0.526 . . . . 3.4199999999999999 109.58 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -51.49 -58.66 5.66 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.744 -0.836 . . . . 5.9100000000000001 108.744 171.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.73 -76.77 0.08 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.961 0.356 . . . . 5.5700000000000003 111.961 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.11 93.91 4.68 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.555 1.942 . . . . 3.75 108.884 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -48.88 -44.08 39.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.169 -0.444 . . . . 5.9100000000000001 111.792 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -105.05 131.2 52.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.759 1.224 . . . . 5.5899999999999999 108.23 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.38 133.56 39.19 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.581 -0.699 . . . . 3.1800000000000002 110.269 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -59.27 144.67 45.58 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 107.488 -1.301 . . . . 4.2000000000000002 107.488 158.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -57.41 -38.51 74.43 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 120.7 -1.25 . . . . 5.1500000000000004 109.596 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -67.15 64.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.8 1.64 . . . . 7.0099999999999998 109.712 164.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 178.39 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.32 3.048 . . . . 4.3700000000000001 105.027 171.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -51.62 -54.46 27.54 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 4.9800000000000004 109.434 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.48 -47.12 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 124.282 1.033 . . . . 3.1000000000000001 110.085 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.29 -45.05 67.09 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 3.6000000000000001 108.543 -165.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.51 -43.24 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 123.556 0.743 . . . . 3.8399999999999999 111.104 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.91 -47.74 31.98 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.483 -0.562 . . . . 2.79 109.483 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -62.98 -49.26 75.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.035 -0.507 . . . . 3.1000000000000001 111.958 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 -67.66 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.751 1.22 . . . . 2.77 110.412 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.22 -20.46 65.69 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.937 0.895 . . . . 3.6600000000000001 111.338 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m 63.9 53.16 1.96 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.889 1.276 . . . . 2.52 109.939 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.6 176.28 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.478 2.311 . . . . 2.4500000000000002 107.505 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.8 p -77.76 158.62 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.297 0.57 . . . . 3.5800000000000001 110.766 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.89 -47.17 71.39 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.058 -1.09 . . . . 4.1900000000000004 108.058 167.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -38.06 -59.95 0.8 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 124.554 1.142 . . . . 4.5800000000000001 110.945 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -50.96 -41.76 59.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 122.123 -0.361 . . . . 4.7000000000000002 111.511 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.54 -2.07 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.304 -0.872 . . . . 2.5499999999999998 111.729 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -77.15 -62.9 1.5 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 119.197 -2.19 . . . . 5.6500000000000004 108.308 152.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -52.2 -54.63 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 126.242 1.817 . . . . 2.23 113.461 -168.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -55.85 -52.41 64.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.301 0.572 . . . . 1.8799999999999999 110.524 -170.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -62.25 -55.96 23.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 123.09 0.556 . . . . 2.0699999999999998 110.221 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -41.06 -66.17 0.36 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.688 1.595 . . . . 4.5999999999999996 109.701 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -61.26 -51.32 69.4 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.716 0.806 . . . . 4.8099999999999996 110.668 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -51.7 -31.18 25.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.082 0.953 . . . . 3.98 111.953 -166.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -51.19 -37.16 45.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.699 0.681 . . . . 6.1600000000000001 112.717 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mmt -54.68 -33.48 60.88 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.663 -0.648 . . . . 4.0099999999999998 111.795 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -103.25 -45.15 4.98 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.402 1.096 . . . . 4.7000000000000002 110.953 -169.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.437 -1.1 0 N-CA-C 104.824 -2.287 . . . . 7.1399999999999997 104.824 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.671 -0.492 . . . . 4.46 109.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -63.76 142.16 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.694 -0.23 . . . . 3.6800000000000002 110.596 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -74.82 -90.42 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.352 -0.61 . . . . 5.5800000000000001 109.352 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -168.35 -49.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.324 1.45 . . . . 8.3499999999999996 107.618 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -38.23 -48.1 1.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.002 1.321 . . . . 5.2300000000000004 111.813 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.18 -66.43 0.46 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.498 0.719 . . . . 4.3300000000000001 109.817 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -39.57 10.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.728 1.211 . . . . 3.3799999999999999 111.928 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.97 -54.15 46.59 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.212 0.605 . . . . 5.9400000000000004 112.467 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.72 -32.52 57.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 119.756 -0.777 . . . . 5.2199999999999998 110.203 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.93 -52.04 46.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.75 1.22 . . . . 4.4699999999999998 110.402 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.41 -52.91 33.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.274 0.63 . . . . 4.1900000000000004 110.448 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -52.24 -52.97 49.36 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.624 0.37 . . . . 6.3300000000000001 111.476 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.33 -41.58 93.86 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.381 -0.825 . . . . 4.6900000000000004 110.507 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.09 -44.15 87.44 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.913 0.338 . . . . 2.54 111.913 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.23 -42.99 87.52 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.808 -0.558 . . . . 6.3899999999999997 110.484 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.47 -75.7 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.882 0.372 . . . . 4.8899999999999997 111.107 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.24 74.31 9.23 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.102 0.961 . . . . 4.2000000000000002 110.051 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -52.7 -51.1 61.78 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.73 -0.606 . . . . 4.9299999999999997 110.282 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -85.33 127.8 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.66 -1.608 . . . . 4.5700000000000003 106.66 159.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 23.4 tp -105.33 108.18 19.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 106.374 -1.713 . . . . 3.3199999999999998 106.374 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -62.52 145.01 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.359 -0.978 . . . . 3.8599999999999999 108.359 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -48.77 -51.51 28.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.281 1.032 . . . . 6.5999999999999996 112.855 -167.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -59.53 -48.07 83.09 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.154 -0.684 . . . . 9.3800000000000008 109.154 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -54.54 -40.9 69.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.005 0.366 . . . . 4.3499999999999996 110.367 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm105 -57.39 -47.31 82.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 121.009 -1.057 . . . . 4.2300000000000004 111.362 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -54.95 -45.11 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.747 -0.464 . . . . 4.5 109.747 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.12 -54.93 41.19 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.5 -0.75 . . . . 5.2699999999999996 111.507 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.59 -57.81 5.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 125.11 1.364 . . . . 2.8999999999999999 109.19 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.86 -56.26 7.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.719 -1.128 . . . . 2.98 109.112 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.7 -40.77 96.22 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.261 -0.274 . . . . 3.4399999999999999 110.519 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.42 72.83 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.187 0.595 . . . . 3.3300000000000001 111.045 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 62.6 mt -83.85 -3.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.556 0.343 . . . . 3.8700000000000001 111.158 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m 62.53 51.29 3.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.016 1.326 . . . . 3.46 110.872 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.61 -175.84 3.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 128.182 2.593 . . . . 2.7400000000000002 107.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.5 p -102.94 153.47 20.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.786 0.803 . . . . 3.6600000000000001 111.681 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.86 -48.22 67.24 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.371 -0.974 . . . . 4.5999999999999996 108.371 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -56.97 -57.18 13.65 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.697 -0.229 . . . . 4.7000000000000002 110.776 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -53.11 -46.04 68.55 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.336 -0.853 . . . . 2.96 111.042 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 110.194 -0.298 . . . . 2.79 110.194 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -48.99 -56.11 9.92 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.746 -0.835 . . . . 3.4300000000000002 108.746 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mm -59.97 -40.16 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.066 0.546 . . . . 2.25 111.571 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -64.5 -49.67 70.42 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.927 -1.108 . . . . 2.3500000000000001 109.107 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -58.41 -50.7 72.75 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.068 -0.716 . . . . 2.4300000000000002 109.068 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.02 -58.24 6.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.073 1.349 . . . . 4.7400000000000002 108.136 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.18 -63.87 0.98 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.419 -0.585 . . . . 4.25 109.419 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -56.84 -38.51 72.77 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.979 -0.451 . . . . 4.9500000000000002 110.554 -173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -54.9 -44.47 74.19 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 120.711 -1.243 . . . . 4.75 113.292 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -59.06 6.03 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 107.342 -1.355 . . . . 2.5499999999999998 107.342 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -53.75 -42.27 68.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.958 0.885 . . . . 5.75 111.561 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 . . . . . 0 N--CA 1.449 -0.49 0 C-N-CA 126.969 2.108 . . . . 3.6899999999999999 112.604 -175.761 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.087 -1.079 . . . . 6.7199999999999998 108.087 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -78.76 128.46 33.44 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.726 -0.609 . . . . 4.5599999999999996 109.673 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -66.17 141.75 57.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.43 -1.322 . . . . 5.71 107.43 156.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -49.03 -36.74 18.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.112 0.965 . . . . 10.869999999999999 111.899 -175.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -43.38 -42.52 4.68 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.82 1.044 . . . . 5.1600000000000001 113.82 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.08 -57.29 5.13 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.048 -1.093 . . . . 4.21 108.048 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -51.96 -36.17 48.62 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.207 1.403 . . . . 3.6899999999999999 113.08 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -47.09 35.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.273 1.829 . . . . 5.6600000000000001 111.762 -169.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.73 -61.5 1.91 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.755 1.264 . . . . 4.4800000000000004 109.334 171.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.89 -33.08 75.01 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 112.638 -2.074 . . . . 3.0699999999999998 110.023 -162.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.87 -49.91 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.483 0.583 . . . . 4.4500000000000002 110.588 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.75 -46.4 82.34 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.524 -0.547 . . . . 6.7800000000000002 109.524 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.17 -43.68 70.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.258 -0.401 . . . . 4.2999999999999998 110.147 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.6 -39.95 95.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.433 0.56 . . . . 3.54 111.061 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -58.29 -34.97 71.12 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.357 -0.839 . . . . 5.6100000000000003 110.119 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -46.86 23.84 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.467 0.707 . . . . 7.0 112.842 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.58 179.3 7.91 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 124.76 1.224 . . . . 4.4500000000000002 110.051 -161.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.67 -54.76 2.58 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.876 0.871 . . . . 5.7999999999999998 111.494 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -128.6 1.96 5.54 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.419 1.266 . . . . 5.79 114.419 -164.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.22 177.35 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 125.492 1.517 . . . . 4.1200000000000001 112.177 174.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.7 m -97.59 145.86 25.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.75 -1.574 . . . . 4.5199999999999996 106.75 159.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -42.05 -52.57 4.2 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.543 1.537 . . . . 6.1900000000000004 110.955 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -42.16 -64.62 0.56 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.892 0.877 . . . . 7.5199999999999996 111.683 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -59.07 -37.34 76.84 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 121.23 -0.919 . . . . 4.9400000000000004 111.128 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -55.03 -45.68 75.21 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.39 0.996 . . . . 5.8200000000000003 110.374 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.68 -51.04 77.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.341 -0.614 . . . . 3.9900000000000002 109.341 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.72 -43.41 98.9 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.417 -0.802 . . . . 5.0300000000000002 111.483 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.43 -58.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.276 1.43 . . . . 4.0800000000000001 109.206 166.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.15 -52.0 22.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.337 0.655 . . . . 2.0600000000000001 111.625 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -68.32 -44.13 76.04 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.631 0.651 . . . . 2.6299999999999999 111.569 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.44 -53.97 52.11 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.818 0.847 . . . . 2.9399999999999999 110.178 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.47 -25.12 62.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.136 0.574 . . . . 3.0800000000000001 111.034 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 12.2 m 65.47 63.25 0.64 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.25 1.42 . . . . 2.1400000000000001 109.154 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 75.7 mt -130.7 164.51 24.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.495 2.318 . . . . 1.8500000000000001 106.209 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -76.75 153.3 35.14 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.69 0.757 . . . . 2.2999999999999998 110.656 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.67 -42.1 92.14 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.489 -0.757 . . . . 4.1600000000000001 109.066 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -36.82 -71.57 0.07 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.091 1.356 . . . . 4.1100000000000003 109.251 163.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -50.35 -50.3 51.62 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.546 0.738 . . . . 2.4500000000000002 112.091 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.05 -49.88 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 119.579 1.082 . . . . 1.6000000000000001 109.83 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -49.59 -57.82 6.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.058 0.943 . . . . 3.1800000000000002 109.1 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mm -51.41 -46.62 35.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 125.017 1.327 . . . . 1.6200000000000001 112.849 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -55.39 -52.43 63.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.929 -0.767 . . . . 2.3500000000000001 108.929 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -67.78 -42.7 81.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.067 0.547 . . . . 3.1200000000000001 110.759 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -46.02 -58.82 3.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.572 0.701 . . . . 4.6100000000000003 109.841 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -71.02 -43.47 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.134 -0.691 . . . . 4.7699999999999996 109.134 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -54.09 -47.62 71.56 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.1 -0.333 . . . . 4.3200000000000003 110.1 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -52.31 -58.8 5.54 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.023 -1.048 . . . . 5.5800000000000001 110.672 171.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 34.9 mmt -50.54 -47.53 57.61 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.56 0.695 . . . . 2.2799999999999998 111.027 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -67.2 -47.0 72.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.38 0.672 . . . . 4.7000000000000002 109.795 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.3 t90 . . . . . 0 C--O 1.226 -0.144 0 C-N-CA 125.942 1.697 . . . . 3.0899999999999999 111.437 172.324 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 CA--C 1.527 0.08 0 N-CA-C 111.782 0.289 . . . . 6.2000000000000002 111.782 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -33.09 135.21 0.1 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.741 2.416 . . . . 4.04 113.087 -161.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 150.27 42.98 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.739 0.816 . . . . 5.4299999999999997 108.854 175.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -54.24 -42.91 70.4 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.285 -0.26 . . . . 7.0099999999999998 111.242 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -39.86 -45.99 1.91 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.895 2.078 . . . . 5.0 112.367 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.94 -54.94 11.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.878 -0.786 . . . . 3.73 108.878 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -45.97 61.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.967 0.413 . . . . 4.3399999999999999 110.824 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.05 -47.32 74.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 118.338 -0.839 . . . . 4.1500000000000004 113.134 -170.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.74 -27.5 50.49 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.082 -1.047 . . . . 4.3799999999999999 111.047 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.01 -44.97 90.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 118.59 0.632 . . . . 2.7200000000000002 109.935 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -56.66 -30.96 63.92 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.892 -0.505 . . . . 3.0099999999999998 111.628 170.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -76.44 -47.9 21.51 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.958 1.303 . . . . 6.3200000000000003 110.205 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -52.89 -63.08 1.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.008 -1.479 . . . . 3.52 107.008 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -80.5 63.14 4.84 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 123.103 1.43 . . . . 3.0099999999999998 110.702 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -168.13 -49.32 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 127.339 2.256 . . . . 5.4500000000000002 105.332 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.09 -57.63 12.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.499 -0.556 . . . . 5.0800000000000001 109.499 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 179.81 6.11 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.734 1.614 . . . . 3.0299999999999998 110.454 -170.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -139.51 -54.54 0.56 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 123.234 0.614 . . . . 6.0800000000000001 112.179 -174.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -96.03 122.31 38.71 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.629 -0.878 . . . . 4.71 108.629 -167.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.02 132.67 46.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.512 0.725 . . . . 3.1400000000000001 109.87 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -65.71 153.26 42.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.139 -1.43 . . . . 4.9900000000000002 107.139 165.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.62 -46.39 77.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.466 1.03 . . . . 5.8499999999999996 109.836 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -65.93 9.68 0.13 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.494 1.118 . . . . 7.0300000000000002 113.829 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -116.24 -49.42 2.68 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 119.964 -1.71 . . . . 5.0899999999999999 108.41 158.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.12 -44.87 3.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.351 2.26 . . . . 6.4299999999999997 111.62 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.04 -64.76 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.352 1.061 . . . . 3.1499999999999999 108.648 170.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -49.25 -42.23 40.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.468 1.507 . . . . 4.9400000000000004 113.566 -166.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.84 -55.11 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 124.389 1.056 . . . . 3.71 108.789 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.56 83.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.097 0.559 . . . . 1.8999999999999999 111.703 -170.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -62.2 -50.41 71.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.787 -0.82 . . . . 2.8100000000000001 108.787 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.44 -55.47 31.32 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.76 0.824 . . . . 2.6899999999999999 111.194 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.38 -43.65 93.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.099 -0.704 . . . . 4.3300000000000001 109.099 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m 72.49 45.06 0.37 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.381 1.872 . . . . 2.71 111.086 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.43 -120.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 105.118 -2.178 . . . . 3.2000000000000002 105.118 152.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -146.13 164.24 32.82 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.587 1.085 . . . . 3.6499999999999999 109.392 166.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.28 80.44 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.502 0.721 . . . . 4.0899999999999999 110.155 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -52.23 -55.59 20.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.089 0.471 . . . . 4.5199999999999996 109.772 173.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.36 -37.87 82.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.512 -0.743 . . . . 2.8399999999999999 111.636 -169.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.96 -51.57 68.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.093 0.86 . . . . 2.4900000000000002 110.308 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -45.31 -57.29 4.11 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 108.565 -0.902 . . . . 3.0899999999999999 108.565 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.8 -41.89 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.388 -0.824 . . . . 1.27 111.527 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -59.56 -49.73 76.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.663 1.119 . . . . 1.6799999999999999 109.251 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -61.89 -52.42 64.19 Favored 'General case' 0 C--N 1.334 -0.081 0 O-C-N 121.781 -0.574 . . . . 5.0 109.539 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -46.97 -63.59 1.0 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.152 1.381 . . . . 4.6799999999999997 108.886 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -56.87 -58.99 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.425 1.09 . . . . 4.3499999999999996 110.515 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.09 -47.92 74.28 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.051 -0.352 . . . . 5.0700000000000003 110.051 -173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -68.13 -45.5 73.43 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.08 -0.387 . . . . 4.5499999999999998 110.797 -176.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -39.69 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.228 -0.92 . . . . 3.6699999999999999 110.36 -175.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -71.18 -40.18 71.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.218 1.007 . . . . 6.2000000000000002 109.404 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.515 0 CA-C-O 125.602 2.62 . . . . 3.5600000000000001 109.509 166.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 105.597 -2.001 . . . . 4.5700000000000003 105.597 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.84 122.9 11.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 122.282 1.039 . . . . 3.3500000000000001 111.956 -166.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.66 158.05 28.38 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.047 1.739 . . . . 3.3799999999999999 110.005 174.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -48.97 -53.7 18.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.558 0.743 . . . . 7.0999999999999996 110.609 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -40.93 -51.6 3.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.353 1.061 . . . . 4.0700000000000003 111.971 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.24 -42.0 76.22 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.246 0.618 . . . . 3.8700000000000001 110.515 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -63.62 -36.57 84.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.603 -0.686 . . . . 2.71 111.454 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -56.34 15.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.907 0.883 . . . . 5.9500000000000002 111.053 -158.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.75 -33.96 76.81 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 118.835 -1.146 . . . . 3.6000000000000001 110.713 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.15 -38.02 89.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.639 1.176 . . . . 2.6600000000000001 111.601 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.84 -47.85 64.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.986 0.812 . . . . 3.3399999999999999 110.364 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -67.71 -41.79 83.01 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.853 -0.594 . . . . 4.6100000000000003 110.284 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.18 -61.24 2.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 118.485 0.584 . . . . 3.2799999999999998 109.779 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -48.73 -53.26 19.64 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.96 0.904 . . . . 2.96 111.578 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.15 -47.91 81.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.337 -0.847 . . . . 4.9299999999999997 110.067 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.44 -47.86 68.94 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.824 0.821 . . . . 5.54 111.469 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 105.62 2.43 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.775 1.63 . . . . 3.0099999999999998 110.944 -163.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 ttp-105 -72.3 -53.87 11.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.143 0.977 . . . . 6.1299999999999999 109.556 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -65.19 132.27 48.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.101 -1.814 . . . . 4.9900000000000002 106.101 162.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.23 -92.76 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.393 -1.706 . . . . 4.9000000000000004 106.393 170.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . 0.252 1.8 t -170.45 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.09 -1.007 . . . . 4.9100000000000001 108.474 163.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -141.68 -75.35 0.3 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.709 -1.219 . . . . 9.7799999999999994 107.709 162.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -79.79 59.39 3.1 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.86 -1.15 . . . . 8.5099999999999998 110.087 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 27.2 mmm-85 -123.31 -47.7 1.99 Allowed 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.106 -1.442 . . . . 4.3799999999999999 107.106 152.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -45.51 25.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.82 1.191 . . . . 6.7400000000000002 113.313 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.5 -56.12 18.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 107.54 -1.281 . . . . 3.5299999999999998 107.54 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.75 -42.45 79.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.262 1.425 . . . . 4.2699999999999996 110.541 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.27 -50.7 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 119.379 0.991 . . . . 3.6699999999999999 109.967 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.16 84.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.74 -0.664 . . . . 2.6499999999999999 110.056 -172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.73 -56.1 6.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.563 0.745 . . . . 3.48 109.017 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.7 -65.3 0.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.909 1.684 . . . . 2.6400000000000001 109.821 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.06 -18.77 63.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.842 -0.599 . . . . 3.2200000000000002 111.745 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 57.38 55.59 5.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.943 0.792 . . . . 2.5899999999999999 108.917 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -127.89 159.68 34.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 104.971 -2.233 . . . . 1.96 104.971 171.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -68.36 152.09 45.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.671 0.748 . . . . 3.1299999999999999 109.81 -171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -45.26 65.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.548 -0.72 . . . . 5.5899999999999999 109.654 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -46.42 -66.76 0.36 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.536 1.135 . . . . 4.6799999999999997 109.957 168.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -49.86 -44.36 49.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.662 0.385 . . . . 2.5 111.372 -173.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.55 -55.94 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.405 0.548 . . . . 2.3999999999999999 110.24 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -50.68 -54.45 22.98 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.128 -0.693 . . . . 4.2699999999999996 109.128 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -53.59 -41.09 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.266 0.626 . . . . 1.3500000000000001 111.235 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -60.35 -54.06 50.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.443 1.02 . . . . 1.6499999999999999 110.606 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -59.38 -48.88 79.94 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.428 -0.795 . . . . 1.8700000000000001 110.0 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.91 -47.16 77.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.997 0.919 . . . . 6.2800000000000002 110.505 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.14 -55.78 24.44 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.518 -0.919 . . . . 3.6699999999999999 108.518 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.96 -36.65 68.06 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 119.006 -0.521 . . . . 3.9700000000000002 111.967 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.95 -53.48 56.35 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.548 1.067 . . . . 5.5700000000000003 110.562 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -58.57 -37.03 74.88 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.028 0.751 . . . . 2.48 113.028 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -68.83 -47.06 66.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.319 1.057 . . . . 6.1399999999999997 109.344 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 71.3 t90 . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 106.532 -1.655 . . . . 3.1899999999999999 106.532 169.485 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.237 0.415 0 N-CA-C 108.919 -0.771 . . . . 6.4299999999999997 108.919 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.56 115.75 26.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.907 -0.496 . . . . 4.29 111.847 -163.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 63.0 p -56.28 155.98 6.26 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 109.585 -0.524 . . . . 5.0800000000000001 109.585 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -49.94 -50.61 45.98 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.956 -0.387 . . . . 8.6899999999999995 109.956 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.48 -51.32 36.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.723 -0.611 . . . . 5.5300000000000002 110.536 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -82.2 42.86 0.76 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.683 -0.636 . . . . 4.21 111.132 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -146.72 -55.05 0.25 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 4.7699999999999996 105.945 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -40.88 -43.69 2.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.969 2.108 . . . . 5.0499999999999998 115.166 -172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.64 -35.67 14.08 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 119.073 0.851 . . . . 5.3200000000000003 112.076 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.28 -33.78 63.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.923 0.889 . . . . 3.6800000000000002 110.06 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.3 -60.16 2.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 4.8200000000000003 111.601 169.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -66.79 -36.69 83.0 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 119.434 -0.317 . . . . 8.7200000000000006 111.287 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -58.3 -54.03 51.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 120.425 -0.51 . . . . 4.9299999999999997 110.458 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.02 -44.92 61.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.271 0.487 . . . . 3.8100000000000001 109.756 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -57.15 -58.26 8.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.374 -0.346 . . . . 7.4500000000000002 111.005 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.22 -57.05 10.6 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.895 0.771 . . . . 8.4900000000000002 111.231 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 112.0 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.895 1.678 . . . . 4.8600000000000003 111.048 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -71.28 -51.09 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.143 -1.058 . . . . 7.7999999999999998 108.143 160.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.88 78.22 4.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.301 -0.629 . . . . 5.25 109.301 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.35 125.93 25.54 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.668 -1.234 . . . . 4.3300000000000001 107.668 162.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 145.24 20.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.872 -1.159 . . . . 6.3399999999999999 107.872 161.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -44.96 -64.16 0.77 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.554 0.742 . . . . 7.3899999999999997 110.064 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -83.61 42.55 0.85 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.981 -1.075 . . . . 8.7400000000000002 112.043 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -114.47 -52.82 2.7 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 106.23 -1.767 . . . . 10.19 106.23 146.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -50.83 -41.73 57.89 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.688 1.195 . . . . 6.0 111.971 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.64 -48.57 86.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 120.901 -1.125 . . . . 4.8600000000000003 109.835 172.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.9 -36.78 75.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.612 1.165 . . . . 6.0199999999999996 112.407 -174.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 32.6 mm -47.39 -55.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.377 0.608 . . . . 4.8399999999999999 110.014 168.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.64 65.36 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.657 1.183 . . . . 3.3700000000000001 109.824 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -57.25 -56.46 21.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.377 -0.231 . . . . 5.3499999999999996 110.377 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.47 -55.69 20.24 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.816 0.846 . . . . 4.4800000000000004 111.592 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -75.18 -17.93 60.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.186 -0.461 . . . . 4.5700000000000003 111.003 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m 59.41 60.15 2.4 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.346 1.458 . . . . 4.5 108.953 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -126.5 162.51 25.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.961 -1.866 . . . . 3.4500000000000002 105.961 171.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.76 151.99 41.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.816 -0.809 . . . . 4.1900000000000004 108.816 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -48.01 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.967 0.907 . . . . 4.9800000000000004 110.567 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -49.68 -55.61 13.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.678 -0.86 . . . . 3.7999999999999998 108.678 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -51.28 -48.29 62.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.273 0.559 . . . . 4.25 110.888 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -54.93 -49.13 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.221 0.534 . . . . 2.5899999999999999 109.714 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -48.54 77.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.727 -0.608 . . . . 4.29 110.257 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.89 -49.1 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.144 0.578 . . . . 1.5800000000000001 110.1 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -47.76 -52.32 19.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.864 0.756 . . . . 2.8900000000000001 109.352 175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -62.68 -58.81 6.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.92 -0.488 . . . . 3.9500000000000002 110.1 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -59.01 -49.65 77.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.386 0.674 . . . . 6.2999999999999998 110.05 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.95 -50.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.95 -0.759 . . . . 3.9700000000000002 108.95 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -60.28 -32.34 71.1 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.453 -0.573 . . . . 4.6399999999999997 109.453 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -50.88 63.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.371 -1.455 . . . . 5.8499999999999996 111.333 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -51.9 -44.75 63.91 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.899 0.857 . . . . 3.3599999999999999 110.566 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -57.72 -64.86 0.75 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.31 1.444 . . . . 7.04 110.626 169.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.226 -0.132 0 C-N-CA 128.227 2.611 . . . . 3.71 113.381 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 107.357 -1.349 . . . . 4.6900000000000004 107.357 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -62.84 149.11 45.12 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.609 -1.626 . . . . 3.96 106.609 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -79.02 -140.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.42 -0.585 . . . . 3.7200000000000002 109.42 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -100.42 -47.01 5.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 120.249 -1.532 . . . . 10.31 107.616 160.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -50.8 -52.08 44.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.51 0.724 . . . . 3.6400000000000001 111.715 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.43 -42.51 87.44 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.281 -0.637 . . . . 4.1200000000000001 109.281 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -67.2 -30.86 70.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.479 1.112 . . . . 3.1000000000000001 111.536 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -70.29 0.1 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.082 1.353 . . . . 3.8399999999999999 113.078 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.45 -28.43 69.27 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.252 -0.579 . . . . 3.8199999999999998 111.054 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.52 -38.2 88.97 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 119.091 -0.48 . . . . 2.9700000000000002 110.873 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.23 -47.3 86.7 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.61 1.096 . . . . 3.79 110.702 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -53.89 -49.8 67.77 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.57 -0.53 . . . . 5.1799999999999997 109.57 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -66.14 -62.25 1.59 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.533 1.133 . . . . 3.1800000000000002 109.042 -174.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -57.35 -40.41 77.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.77 1.168 . . . . 4.8399999999999999 112.919 -172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -68.72 -14.59 63.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.819 -1.175 . . . . 9.9000000000000004 111.545 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.34 -71.63 0.7 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.314 1.046 . . . . 6.1399999999999997 110.024 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -90.56 97.9 11.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 127.442 2.297 . . . . 4.3099999999999996 108.048 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.54 -56.57 5.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.133 -1.062 . . . . 7.4500000000000002 108.133 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -82.89 125.75 31.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.572 -1.27 . . . . 5.79 107.572 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -117.31 120.05 37.01 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.563 1.945 . . . . 3.3999999999999999 106.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.2 p -67.69 159.73 29.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.361 0.528 . . . . 4.0599999999999996 109.821 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -54.21 -53.15 57.44 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.33 0.652 . . . . 5.0899999999999999 109.59 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -48.68 -61.39 2.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.056 0.542 . . . . 7.2300000000000004 110.265 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -58.07 -43.83 87.17 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 118.056 0.389 . . . . 5.0899999999999999 110.17 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -55.96 -47.45 77.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.521 1.055 . . . . 5.1699999999999999 112.249 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -54.9 -49.5 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.343 -0.243 . . . . 3.1699999999999999 110.343 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -59.51 -50.19 74.86 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 118.911 -0.566 . . . . 3.6600000000000001 111.884 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.19 -57.27 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 125.775 1.63 . . . . 2.6099999999999999 108.279 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.04 -49.61 60.22 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 1.8100000000000001 111.044 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -67.98 -36.93 80.86 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.874 -0.516 . . . . 2.6000000000000001 112.293 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.09 -56.06 17.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.035 0.934 . . . . 2.3700000000000001 109.55 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.74 -18.51 60.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 118.949 -0.548 . . . . 3.1000000000000001 111.883 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m 66.02 67.12 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.154 0.981 . . . . 2.2599999999999998 109.286 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.21 168.28 19.92 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.173 2.189 . . . . 2.1800000000000002 106.269 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 21.0 p -77.55 158.87 29.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.269 0.94 . . . . 2.8599999999999999 109.51 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -55.03 -41.13 70.99 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.662 -0.866 . . . . 3.6800000000000002 108.662 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -51.35 -54.48 25.95 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.244 -0.65 . . . . 4.4500000000000002 109.244 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -54.88 -44.49 74.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.037 -0.665 . . . . 2.4100000000000001 111.153 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.99 -52.37 61.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 110.357 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -45.98 -59.57 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.495 1.518 . . . . 2.9500000000000002 108.875 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.6 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 C-N-CA 126.302 1.841 . . . . 1.52 110.975 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -54.5 -54.45 40.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.956 0.884 . . . . 1.97 109.176 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.93 -53.06 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.537 0.735 . . . . 2.27 110.174 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -48.38 -62.16 1.63 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.749 1.62 . . . . 4.7400000000000002 108.986 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -46.09 -52.7 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.114 1.766 . . . . 3.4399999999999999 110.461 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.76 -47.03 64.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 119.032 -0.508 . . . . 4.5800000000000001 111.595 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -50.72 -43.81 58.06 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.657 1.117 . . . . 5.71 113.097 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -54.66 43.45 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 107.967 -1.123 . . . . 2.3300000000000001 107.967 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -69.79 -48.78 57.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 6.5599999999999996 108.744 -170.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.5 t90 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 126.949 2.1 . . . . 2.8599999999999999 112.657 172.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.234 0.275 0 N-CA-C 113.721 1.008 . . . . 5.4699999999999998 113.721 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -63.03 137.16 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.804 -1.554 . . . . 4.0800000000000001 106.804 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -69.13 165.45 20.31 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.179 -1.045 . . . . 3.7599999999999998 108.179 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -58.08 -51.83 68.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.124 -1.03 . . . . 10.279999999999999 108.685 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -39.47 -47.47 1.84 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.327 1.451 . . . . 5.4000000000000004 113.162 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -57.71 -64.74 0.8 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.079 0.943 . . . . 3.7999999999999998 109.813 173.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -45.73 -39.27 7.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.289 1.836 . . . . 3.0899999999999999 113.424 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.21 -54.43 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.926 0.89 . . . . 6.0999999999999996 112.265 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.5 -28.96 62.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.21 -0.596 . . . . 4.8099999999999996 110.902 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.54 -44.44 90.82 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.748 0.819 . . . . 2.8500000000000001 110.539 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -55.83 -42.82 76.3 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.925 -1.109 . . . . 3.8300000000000001 110.923 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.18 -48.37 80.52 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.46 0.475 . . . . 5.9400000000000004 109.818 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.61 -49.29 75.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.961 -1.019 . . . . 4.1399999999999997 110.703 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -52.5 -45.07 66.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.72 0.691 . . . . 3.21 110.143 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -53.96 -56.58 16.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 5.6299999999999999 109.786 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.12 -53.84 39.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 123.654 0.782 . . . . 9.6199999999999992 111.146 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.88 117.1 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.101 -1.074 . . . . 4.8799999999999999 108.101 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -69.06 -39.12 79.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.452 0.701 . . . . 6.2999999999999998 109.459 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 120.52 39.18 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.29 -0.882 . . . . 7.3200000000000003 109.326 167.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.13 161.0 26.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.598 1.159 . . . . 3.4399999999999999 108.578 164.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -91.47 160.94 15.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.651 1.98 . . . . 4.9400000000000004 108.716 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -82.9 59.92 5.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.342 -0.849 . . . . 5.3700000000000001 111.312 -170.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -143.57 -61.94 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 104.596 -2.372 . . . . 10.15 104.596 161.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -47.67 -46.09 28.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.861 1.265 . . . . 5.9299999999999997 112.114 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm105 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.378 -0.826 . . . . 5.7699999999999996 110.922 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.82 -54.72 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 108.168 -1.049 . . . . 4.2599999999999998 108.168 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -49.28 -39.41 30.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.171 0.188 . . . . 4.3099999999999996 111.158 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -68.67 -44.64 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 124.063 0.945 . . . . 4.2599999999999998 112.02 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.95 34.47 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.145 -0.347 . . . . 1.8999999999999999 110.783 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -68.41 -51.58 42.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.448 -0.311 . . . . 3.02 110.832 171.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.86 -56.79 3.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.457 1.503 . . . . 2.5499999999999998 112.277 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.96 -11.0 54.18 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.299 0.639 . . . . 3.9100000000000001 112.083 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m 65.01 43.1 3.89 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.53 1.132 . . . . 2.48 110.69 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.29 -162.6 0.94 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.767 -1.568 . . . . 2.9100000000000001 106.767 167.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.3 160.35 22.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.396 -1.705 . . . . 4.46 106.396 170.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.1 -40.69 70.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.273 -1.346 . . . . 4.6900000000000004 112.73 -173.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -49.13 -49.33 42.7 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 119.917 1.235 . . . . 4.5300000000000002 110.052 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -55.86 -51.66 66.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 118.407 0.549 . . . . 4.4900000000000002 110.593 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.93 -56.59 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.014 -1.054 . . . . 1.74 109.629 -175.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -41.75 -58.04 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.377 1.871 . . . . 3.23 109.416 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.79 -54.97 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.209 1.404 . . . . 1.8600000000000001 110.981 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -52.99 -50.38 64.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.022 -0.733 . . . . 1.8400000000000001 109.022 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -59.05 -55.77 30.82 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.636 -0.665 . . . . 2.5099999999999998 110.513 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -51.86 -59.53 4.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.493 1.139 . . . . 6.6500000000000004 109.693 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -62.05 -41.97 98.69 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.596 1.558 . . . . 4.0800000000000001 110.067 -171.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -39.36 93.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.215 0.606 . . . . 4.2300000000000004 109.901 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.01 -53.25 58.23 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.245 -0.909 . . . . 4.6399999999999997 112.063 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -35.71 -53.75 0.71 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.253 1.502 . . . . 2.1800000000000002 110.765 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -79.33 -38.45 35.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.059 -1.882 . . . . 6.8899999999999997 110.289 -165.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 7.2 t90 . . . . . 0 N--CA 1.438 -1.073 0 N-CA-C 106.504 -1.665 . . . . 6.0300000000000002 106.504 170.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 1 O4'-C1'-N19 113.73 7.412 . . . . 5.8300000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C4'-C3' 108.426 2.826 . . . . 4.2000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 P-O3'-C3' 123.367 3.056 . . . . 4.5199999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.495 1 O4'-C1'-N19 111.454 4.568 . . . . 5.5099999999999998 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.623 3.529 . . . . 2.5099999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 O3'-P-O5' 110.086 3.203 . . . . 2.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C4'-C3'-C2' 99.28 -3.92 . . . . 1.4399999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.341 0 O4'-C4'-C3' 109.401 3.801 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 1 O4'-C1'-C2' 101.689 -4.01 . . . . 2.5299999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.884 0 P-O3'-C3' 124.308 3.84 . . . . 2.1299999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . 0.416 ' C2 ' ' C2 ' ' B' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 C4'-C3'-C2' 98.925 -4.275 . . . . 3.3700000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.214 2 O4'-C1'-N19 111.741 4.926 . . . . 4.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 1 O4'-C4'-C3' 109.985 4.385 . . . . 2.4900000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 C4'-C3'-C2' 99.926 -3.274 . . . . 3.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.488 1 O4'-C1'-N19 111.849 5.062 . . . . 6.6799999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 0 P-O3'-C3' 123.227 2.939 . . . . 5.7199999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.011 0 P-O3'-C3' 123.375 3.063 . . . . 4.8799999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.123 3 O5'-C5'-C4' 118.122 5.659 . . . . 3.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . 0.416 ' C2 ' ' C2 ' ' A' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.272 1 P-O3'-C3' 124.563 4.053 . . . . 2.6600000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 2 O4'-C1'-N19 111.832 5.04 . . . . 2.5699999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 123.538 3.198 . . . . 1.72 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.545 0 P-O3'-C3' 123.623 3.269 . . . . 2.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.929 0 P-O3'-C3' 124.14 3.7 . . . . 3.0299999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 P-O3'-C3' 123.691 3.326 . . . . 3.7999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 112.462 5.827 . . . . 4.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.636 0 O4'-C1'-N19 110.375 3.219 . . . . 4.9900000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 2 O4'-C1'-N19 111.661 4.827 . . . . 4.8499999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O4'-C1'-N19 110.42 3.275 . . . . 5.3200000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 109.66 -0.496 . . . . 20.02 109.66 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -75.57 66.51 1.94 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.452 -0.78 . . . . 22.940000000000001 111.297 174.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 tttm 176.99 120.01 0.03 OUTLIER 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.739 2.415 . . . . 21.190000000000001 106.091 159.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 33.63 66.86 0.22 Allowed 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 127.106 2.162 . . . . 13.76 110.813 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -35.33 -51.16 0.95 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.349 1.928 . . . . 9.7400000000000002 111.784 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -19.39 -59.25 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.818 3.247 . . . . 9.4600000000000009 114.945 162.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -170.12 89.45 0.16 Allowed 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 129.496 3.118 . . . . 5.46 108.091 -164.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -76.79 110.12 11.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.657 -1.238 . . . . 4.9800000000000004 107.657 167.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -77.93 109.91 12.39 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.149 -1.426 . . . . 4.0 107.149 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.89 146.75 29.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.381 0.672 . . . . 3.4100000000000001 112.408 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -24.28 -64.93 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 127.892 2.477 . . . . 9.0700000000000003 113.756 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -47.93 -44.38 29.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.11 0.868 . . . . 5.5499999999999998 111.885 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -62.96 -53.74 49.32 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.173 -1.417 . . . . 3.8199999999999998 107.173 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -20.75 34.15 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.676 1.19 . . . . 2.75 113.923 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.31 -68.49 0.38 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.723 -1.236 . . . . 4.3899999999999997 110.294 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.6 -33.33 70.93 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.026 -0.534 . . . . 3.73 110.143 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.41 -40.77 87.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 123.198 0.311 . . . . 2.75 110.566 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.79 -45.82 88.99 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.861 0.755 . . . . 3.8300000000000001 110.926 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -62.57 -47.73 82.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 4.9199999999999999 110.128 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -51.74 -58.42 6.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 122.001 -0.437 . . . . 3.27 109.881 169.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.25 -46.22 35.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.394 0.678 . . . . 4.6600000000000001 111.332 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -52.25 -49.12 64.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.181 0.592 . . . . 5.5099999999999998 110.192 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -69.81 -45.14 68.54 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.934 0.494 . . . . 6.6500000000000004 112.069 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.32 98.92 1.88 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.524 1.53 . . . . 3.1299999999999999 111.28 -163.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -63.65 -55.22 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.104 -1.073 . . . . 5.6600000000000001 108.104 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -66.35 126.19 27.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.085 1.354 . . . . 4.3700000000000001 107.988 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mp -107.55 135.12 49.54 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 105.304 -2.109 . . . . 3.0600000000000001 105.304 162.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -57.36 136.19 56.57 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.976 -1.49 . . . . 5.6200000000000001 106.976 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -33.42 -72.32 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.171 1.789 . . . . 7.7400000000000002 113.709 -159.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -74.52 0.26 15.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.581 0.956 . . . . 11.789999999999999 113.581 -168.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.2 79.98 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.305 -1.497 . . . . 5.2400000000000002 108.079 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -51.49 -43.27 62.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.935 -1.103 . . . . 6.1799999999999997 110.352 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.36 -47.89 86.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 124.242 1.017 . . . . 3.71 109.501 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.09 -44.3 91.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 109.169 -0.678 . . . . 4.2400000000000002 109.169 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -56.58 -52.13 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.515 -0.741 . . . . 3.27 109.632 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -43.34 61.88 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.005 0.922 . . . . 1.9299999999999999 111.577 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -71.66 -50.2 32.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 119.651 -0.214 . . . . 2.8500000000000001 110.78 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.43 16.23 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.267 0.84 . . . . 2.79 113.267 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 68.0 mt -106.31 -8.35 17.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.519 1.303 . . . . 2.8399999999999999 114.519 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 66.51 53.93 0.92 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.173 0.897 . . . . 2.6000000000000001 112.462 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 mt -120.54 -172.26 2.34 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.886 2.074 . . . . 2.5099999999999998 106.965 173.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.77 151.38 25.78 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.917 -1.114 . . . . 3.04 108.662 173.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.01 -50.8 10.5 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.885 0.874 . . . . 3.6400000000000001 110.274 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -36.21 -60.62 0.55 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.318 1.847 . . . . 6.8200000000000003 109.81 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.13 -32.42 73.98 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.985 0.914 . . . . 2.5800000000000001 110.798 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -74.34 -25.29 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.188 -0.945 . . . . 1.8300000000000001 110.898 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.91 -60.22 3.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.193 -1.567 . . . . 3.3599999999999999 107.111 164.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -57.98 -53.42 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 124.888 1.275 . . . . 1.5600000000000001 111.696 -162.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -50.1 -46.69 53.82 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.097 0.951 . . . . 1.78 110.167 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -69.17 -47.32 65.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.773 -0.579 . . . . 2.1200000000000001 110.099 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.15 -57.99 9.06 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.461 1.104 . . . . 4.6699999999999999 108.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -48.39 -54.49 13.82 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.112 1.365 . . . . 4.0300000000000002 112.143 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -53.29 -54.89 29.73 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 121.274 -0.17 . . . . 4.5 111.084 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -49.56 -55.86 11.98 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.434 1.094 . . . . 5.5 111.593 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -59.36 1.84 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.11 1.364 . . . . 2.5600000000000001 110.478 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -68.87 -50.28 51.13 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.127 -0.488 . . . . 6.1100000000000003 109.754 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -43.95 -40.69 4.82 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.358 1.463 . . . . 3.0600000000000001 111.8 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -57.32 -53.21 60.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.798 -0.564 . . . . 5.9900000000000002 110.632 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -56.48 -42.94 79.12 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.572 0.624 . . . . 9.3699999999999992 109.516 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -78.2 -45.4 23.17 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.943 1.09 . . . . 4.8099999999999996 113.943 -167.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER -86.64 64.87 8.75 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 122.485 1.136 . . . . 5.7400000000000002 111.94 -155.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 pttp 53.78 58.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.537 1.935 . . . . 11.970000000000001 111.172 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.1 p -105.27 65.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.586 0.754 . . . . 13.09 109.846 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -67.22 176.29 2.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.723 -0.844 . . . . 16.079999999999998 108.723 161.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.0 -45.46 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.361 -0.837 . . . . 20.649999999999999 111.493 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -28.9 118.47 0.28 Allowed Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 127.972 2.509 . . . . 21.210000000000001 110.141 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -45.14 123.46 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.366 2.71 . . . . 26.460000000000001 111.943 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 107.616 -2.193 . . . . 25.620000000000001 107.616 -176.076 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 2 C4'-C3'-C2' 97.424 -5.776 . . . . 5.3499999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.986 3.982 . . . . 6.3499999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 123.97 3.559 . . . . 5.8399999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C4'-C3' 108.314 2.714 . . . . 3.8199999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.254 3.067 . . . . 2.6499999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.371 1 P-O3'-C3' 124.958 4.382 . . . . 2.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 111.839 5.049 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 0 OP1-P-OP2 115.246 -2.902 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 2 O4'-C1'-N19 111.693 4.866 . . . . 1.76 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C4'-C3' 108.269 2.669 . . . . 2.0099999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.798 4.997 . . . . 2.8199999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 0 C1'-O4'-C4' 105.686 -2.867 . . . . 3.2799999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.986 0 N19-C1'-C2' 108.33 -3.668 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 2 P-O3'-C3' 125.767 5.056 . . . . 3.7400000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.96 1 O4'-C1'-N19 113.388 6.985 . . . . 4.4299999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.536 1 O4'-C1'-N19 112.4 5.75 . . . . 3.6000000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.754 0 O4'-C1'-N19 110.704 3.63 . . . . 3.8100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 0 O4'-C1'-C2' 102.072 -3.662 . . . . 3.0899999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 P-O3'-C3' 123.624 3.27 . . . . 2.8900000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 3 O4'-C1'-N19 112.339 5.674 . . . . 2.8100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 1 P-O3'-C3' 125.281 4.651 . . . . 1.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.223 0 P-O3'-C3' 124.005 3.587 . . . . 2.4300000000000002 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.631 3.276 . . . . 2.8799999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.074 0 P-O3'-C3' 124.417 3.931 . . . . 2.2999999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 0 O4'-C1'-C2' 102.216 -3.531 . . . . 2.2599999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.663 2 O4'-C1'-N19 113.204 6.755 . . . . 2.8300000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.466 3.332 . . . . 3.5299999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 1 O4'-C1'-N19 112.916 6.395 . . . . 4.8899999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 17.6 mtt . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 109.22 -0.659 . . . . 16.260000000000002 109.22 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -50.76 119.85 4.24 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.214 1.006 . . . . 14.51 110.367 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -60.78 151.22 30.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.136 0.493 . . . . 13.19 111.552 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -119.67 154.08 34.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.657 -2.349 . . . . 8.6999999999999993 104.657 157.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.47 167.82 39.1 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 108.923 -1.671 . . . . 5.7400000000000002 108.923 166.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.21 -165.86 1.21 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.077 -1.823 . . . . 6.4500000000000002 106.077 147.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -160.94 111.64 1.77 Allowed 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.175 -0.953 . . . . 6.4900000000000002 111.008 -163.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.32 89.15 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.843 -1.54 . . . . 7.5599999999999996 106.843 154.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -48.52 148.44 2.02 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.679 1.192 . . . . 4.3300000000000001 110.632 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -69.28 157.49 36.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.9 -0.5 . . . . 3.96 110.236 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -54.65 -52.43 62.34 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.465 -0.939 . . . . 8.0800000000000001 108.465 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -46.11 -54.71 8.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.309 1.044 . . . . 4.1200000000000001 111.697 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -59.13 -56.09 26.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.792 -0.447 . . . . 3.5600000000000001 109.792 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.45 -39.16 64.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.73 0.3 . . . . 3.9900000000000002 110.881 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.56 -54.59 35.27 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.31 1.044 . . . . 4.8899999999999997 112.983 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.55 -30.63 33.03 Favored 'General case' 0 CA--C 1.522 -0.126 0 O-C-N 121.88 -0.513 . . . . 3.6000000000000001 110.843 -175.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.85 -50.22 73.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.675 -0.491 . . . . 2.2999999999999998 109.675 172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -58.5 -39.37 79.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.459 -0.776 . . . . 4.5999999999999996 111.55 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -53.89 -60.65 3.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.166 -0.445 . . . . 7.4100000000000001 109.915 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.77 -39.89 78.49 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.331 0.969 . . . . 3.4900000000000002 110.444 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.08 -37.76 72.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.934 -0.479 . . . . 2.5699999999999998 111.937 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -76.79 -50.62 13.07 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.117 0.967 . . . . 6.7999999999999998 110.115 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.62 -37.92 80.13 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.56 1.544 . . . . 5.2999999999999998 111.46 -167.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.9 -111.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.801 1.641 . . . . 3.8100000000000001 106.667 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -161.07 -52.0 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 120.371 1.441 . . . . 5.5099999999999998 109.951 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.46 9.31 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.892 0.701 . . . . 7.9400000000000004 112.892 -156.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.43 150.3 0.1 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.351 1.46 . . . . 3.6299999999999999 109.354 -171.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -67.87 -72.76 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.048 0.939 . . . . 5.1799999999999997 109.976 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -159.43 -88.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 6.8600000000000003 107.404 171.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -52.01 -32.67 34.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.804 2.093 . . . . 8.0099999999999998 113.401 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -44.53 -35.96 2.76 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.381 0.992 . . . . 4.4500000000000002 112.037 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -50.39 -55.1 17.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.42 1.488 . . . . 4.1500000000000004 110.796 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.49 -48.78 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.067 0.947 . . . . 3.7799999999999998 108.53 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.0 -39.08 93.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.624 0.37 . . . . 3.6800000000000002 111.573 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -57.57 -58.75 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 125.173 1.389 . . . . 3.3199999999999998 108.277 170.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.48 55.45 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.73 -0.668 . . . . 2.75 111.054 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.72 -52.37 63.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.179 0.591 . . . . 3.3100000000000001 110.884 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.85 3.78 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.495 0.718 . . . . 2.5899999999999999 110.628 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.28 -16.94 63.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.598 0.759 . . . . 2.77 111.533 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m 64.18 38.92 7.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.861 2.064 . . . . 2.4300000000000002 110.772 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.44 179.82 4.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.711 1.605 . . . . 2.7999999999999998 107.691 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -89.09 146.84 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.291 1.037 . . . . 3.0600000000000001 109.759 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -46.51 -44.11 17.42 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 118.439 0.563 . . . . 3.2999999999999998 109.961 170.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttm105 -46.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.347 0.659 . . . . 4.4699999999999998 109.856 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -55.36 -41.14 72.15 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.726 -0.609 . . . . 5.5300000000000002 110.491 -172.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.51 -52.65 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 109.976 -0.379 . . . . 1.8 109.976 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -53.8 -48.36 69.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 120.928 -1.107 . . . . 3.1699999999999999 109.5 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.734 0.697 . . . . 2.1899999999999999 111.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -53.83 -59.65 4.35 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.106 0.866 . . . . 2.3100000000000001 109.838 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.94 -50.4 74.21 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.466 -0.772 . . . . 1.8999999999999999 110.443 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -43.2 -68.6 0.18 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.707 1.603 . . . . 4.6900000000000004 109.469 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . 0.263 21.0 p30 -66.7 -38.86 87.6 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.103 -0.373 . . . . 4.1200000000000001 111.705 -166.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -55.6 -54.35 45.21 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.417 -0.586 . . . . 3.75 109.417 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttp85 -56.3 -37.96 70.6 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.967 -1.083 . . . . 5.4500000000000002 111.716 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.81 -46.86 80.24 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.163 0.506 . . . . 2.4700000000000002 110.065 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -93.21 41.32 1.08 Allowed 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.3 1.44 . . . . 5.5999999999999996 111.702 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -148.71 146.81 28.28 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 125.419 1.488 . . . . 4.1399999999999997 107.762 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 138.64 -66.22 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 1 C-N-CA 135.816 5.647 . . . . 9.9199999999999999 106.77 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -55.59 -59.5 4.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.744 0.702 . . . . 8.4000000000000004 109.262 171.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.51 53.94 2.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.042 0.937 . . . . 4.8200000000000003 109.078 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -48.36 -51.22 27.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.003 0.742 . . . . 6.6200000000000001 113.003 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . 0.412 ' HZ3' ' CD ' ' P' ' 65' ' ' GLU . 8.4 ttpt -117.47 158.15 25.01 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 102.547 -3.131 . . . . 13.869999999999999 102.547 166.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.47 116.16 4.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 104.993 -2.225 . . . . 13.109999999999999 104.993 158.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -85.49 62.26 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 106.389 -1.708 . . . . 14.68 106.389 -172.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.81 41.2 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 110.17 -1.172 . . . . 16.719999999999999 110.17 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . 0.412 ' CD ' ' HZ3' ' P' ' 61' ' ' LYS . 3.4 mp0 -56.56 126.83 71.41 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-O 118.611 -0.709 . . . . 18.43 109.39 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.96 176.17 7.28 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.712 1.608 . . . . 22.199999999999999 109.934 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.745 0 N-CA-C 109.992 -1.243 . . . . 22.899999999999999 109.992 179.279 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 1 O4'-C1'-N19 112.066 5.332 . . . . 5.7199999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C4'-C3' 108.291 2.691 . . . . 5.8899999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.065 0 P-O3'-C3' 124.394 3.911 . . . . 5.4500000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.472 4 O4'-C1'-N19 113.569 7.211 . . . . 3.9199999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.851 0 O4'-C1'-N19 110.814 3.768 . . . . 3.1000000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.89 1 O4'-C1'-N19 113.734 7.418 . . . . 2.9500000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 1 O4'-C1'-N19 111.891 5.113 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.648 0 O4'-C1'-C2' 102.391 -3.372 . . . . 1.26 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.108 1 O4'-C1'-N19 111.661 4.826 . . . . 2.0099999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 103.035 -2.786 . . . . 2.1000000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.915 1 O4'-C1'-N19 111.64 4.8 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 0 O4'-C4'-C3' 108.496 2.896 . . . . 2.3900000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 2 P-O3'-C3' 127.114 6.178 . . . . 2.6200000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 0 O4'-C1'-N19 109.546 2.182 . . . . 3.04 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 2 O4'-C1'-N19 112.101 5.376 . . . . 5.6100000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.302 1 O4'-C1'-N19 111.012 4.016 . . . . 4.4100000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 O3'-P-O5' 111.154 3.765 . . . . 3.6699999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 2 P-O3'-C3' 124.607 4.089 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 0 O4'-C1'-N19 109.841 2.552 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 2 O4'-C1'-N19 112.686 6.107 . . . . 2.6899999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.519 1 P-O3'-C3' 126.539 5.699 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 0 N19-C1'-C2' 109.26 -3.087 . . . . 2.0800000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 P-O3'-C3' 123.832 3.443 . . . . 1.8799999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 C4'-C3'-C2' 99.998 -3.202 . . . . 2.3700000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.598 2.998 . . . . 3.7000000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 1 O4'-C1'-N19 111.187 4.233 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 O4'-C1'-N19 110.263 3.079 . . . . 4.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 0 O4'-C1'-N19 110.738 3.673 . . . . 4.6600000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 34.6 mtm . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 109.854 -0.424 . . . . 16.690000000000001 109.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -93.4 164.35 13.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.053 -1.092 . . . . 18.170000000000002 108.053 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -58.12 163.01 3.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.071 -0.714 . . . . 14.1 109.071 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -57.27 158.27 5.56 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.072 -1.085 . . . . 7.9199999999999999 108.072 158.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.55 164.53 36.3 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 106.889 -2.484 . . . . 6.0099999999999998 106.889 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -94.05 151.3 19.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.492 1.146 . . . . 6.6299999999999999 110.412 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -80.87 179.75 7.68 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.24 1.016 . . . . 4.5199999999999996 109.949 170.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -150.54 146.67 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.547 -1.649 . . . . 5.4100000000000001 106.547 172.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -105.2 146.85 28.7 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.395 0.678 . . . . 3.96 110.808 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -70.48 -90.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.445 0.698 . . . . 4.4400000000000004 109.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -172.94 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.714 2.406 . . . . 8.0999999999999996 107.19 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -43.36 -48.76 7.01 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.198 1.399 . . . . 4.1799999999999997 110.997 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.59 -56.99 14.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.573 -0.899 . . . . 3.2400000000000002 108.573 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.08 82.97 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.808 1.243 . . . . 2.9500000000000002 111.822 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.23 -47.12 72.54 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.474 -0.766 . . . . 4.0999999999999996 112.346 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.77 -52.82 10.52 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 124.559 1.144 . . . . 5.0899999999999999 110.044 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.56 -38.11 59.45 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.615 -1.175 . . . . 2.4900000000000002 108.927 -164.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.53 -42.72 83.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.642 -0.661 . . . . 3.1099999999999999 110.365 167.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -59.06 -48.83 80.15 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.459 -0.776 . . . . 5.8300000000000001 110.681 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.6 -51.86 65.73 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 121.638 -0.664 . . . . 3.2999999999999998 109.343 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.8 -43.89 81.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.421 0.629 . . . . 2.6200000000000001 110.659 -175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -64.16 -33.08 74.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.16 0.984 . . . . 6.1600000000000001 111.318 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.77 -70.74 0.22 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.353 0.661 . . . . 4.7699999999999996 109.38 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.81 -165.09 1.19 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.24 1.016 . . . . 4.7400000000000002 109.551 170.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -118.72 -27.84 5.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.575 0.75 . . . . 4.7300000000000004 112.831 -171.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -93.02 78.31 4.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.368 -0.975 . . . . 5.0800000000000001 108.368 -176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.52 150.3 15.58 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.689 -0.804 . . . . 2.5800000000000001 110.098 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -72.32 157.73 37.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.107 0.963 . . . . 4.5099999999999998 108.434 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -64.21 -51.66 62.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 106.927 -1.509 . . . . 7.2000000000000002 106.927 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -75.6 40.8 0.18 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.543 0.687 . . . . 6.8499999999999996 111.592 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -129.6 -47.19 1.16 Allowed 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.503 -1.295 . . . . 5.6600000000000001 107.503 143.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -62.15 -30.29 70.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.803 0.841 . . . . 5.2699999999999996 112.275 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.18 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 107.722 -1.214 . . . . 3.4399999999999999 107.722 167.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -49.45 -51.68 34.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.239 1.815 . . . . 4.0800000000000001 110.245 -169.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -41.31 -61.83 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 128.164 2.586 . . . . 2.6499999999999999 110.687 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.01 57.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.824 0.85 . . . . 1.6699999999999999 110.626 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -66.28 -41.55 89.69 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.235 0.541 . . . . 2.7400000000000002 110.13 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.47 82.66 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 124.342 1.057 . . . . 2.3300000000000001 111.918 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.0 mt -91.54 -14.19 30.78 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.044 0.538 . . . . 2.6099999999999999 111.996 175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 39.6 m 51.85 67.35 0.98 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.994 0.917 . . . . 2.27 109.606 -164.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.94 155.55 45.88 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.51 -2.033 . . . . 2.0699999999999998 105.51 165.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' THR . . . . . 0.422 ' HG1' ' CD ' ' P' ' 44' ' ' GLN . 78.0 p -69.37 150.97 46.72 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.761 -0.829 . . . . 3.2999999999999998 108.761 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.54 -37.36 72.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.582 -0.699 . . . . 3.48 109.754 170.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -40.22 -69.41 0.13 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.204 1.002 . . . . 4.4199999999999999 110.22 164.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . 0.422 ' CD ' ' HG1' ' P' ' 41' ' ' THR . 22.2 mt-30 -57.06 -37.97 72.59 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.675 -0.641 . . . . 2.5699999999999998 111.169 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.61 -55.58 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.286 0.948 . . . . 1.52 110.371 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -48.81 -55.58 11.16 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.357 -0.979 . . . . 3.3700000000000001 108.357 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.08 -47.53 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.182 0.993 . . . . 1.49 111.862 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -53.54 -51.91 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.171 -0.956 . . . . 1.54 108.935 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -62.26 -46.29 89.47 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 121.586 -0.696 . . . . 1.8600000000000001 110.331 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -49.32 -58.49 4.99 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.203 1.401 . . . . 4.6699999999999999 108.974 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -51.5 -51.36 55.81 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 122.385 1.088 . . . . 3.5699999999999998 108.235 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -62.33 -56.61 16.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.407 -0.815 . . . . 4.4000000000000004 110.141 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -53.05 -44.86 67.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.139 1.375 . . . . 5.8799999999999999 110.764 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -73.43 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.909 0.483 . . . . 2.21 110.258 171.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -55.14 -43.47 74.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.743 -0.598 . . . . 4.9199999999999999 111.612 -168.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -47.31 -29.15 2.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.005 2.122 . . . . 3.04 113.568 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -45.38 -57.54 3.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.041 0.837 . . . . 6.4000000000000004 111.932 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -65.01 -62.17 1.71 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 109.752 -0.462 . . . . 7.04 109.752 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -47.31 -46.82 25.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.692 0.997 . . . . 5.0300000000000002 113.692 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -65.64 -29.15 69.69 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.231 -0.89 . . . . 6.4000000000000004 113.393 -169.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -99.78 -6.27 27.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.163 0.801 . . . . 14.76 113.163 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -68.72 98.31 0.89 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 105.173 -2.158 . . . . 11.970000000000001 105.173 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? 63.6 96.48 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.97 1.308 . . . . 14.529999999999999 107.6 -157.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.36 -80.7 1.39 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.363 -1.495 . . . . 13.869999999999999 109.363 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -130.84 68.27 81.6 Favored Pre-proline 0 C--O 1.236 0.35 0 C-N-CA 124.235 1.014 . . . . 18.460000000000001 111.535 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.03 -65.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.129 0 N-CA-C 107.792 -1.657 . . . . 20.359999999999999 107.792 161.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 108.405 -1.878 . . . . 22.050000000000001 108.405 176.55 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 112.828 6.285 . . . . 5.3200000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 0 O4'-C1'-C2' 102.659 -3.128 . . . . 4.7400000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 O4'-C1'-N19 110.931 3.914 . . . . 4.5 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 0 O3'-P-O5' 110.46 3.4 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 1 P-O3'-C3' 125.105 4.504 . . . . 2.9399999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 O4'-C1'-N19 110.133 2.916 . . . . 2.4300000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.398 2 O4'-C1'-N19 113.4 7.0 . . . . 1.6899999999999999 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C4'-C3' 108.654 3.054 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.978 0 O4'-C1'-N19 110.828 3.785 . . . . 1.8400000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.076 0 P-O3'-C3' 123.224 2.936 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.515 4.644 . . . . 2.3199999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 1 P-O3'-C3' 124.85 4.292 . . . . 2.96 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 N19-C1'-C2' 108.845 -3.347 . . . . 2.1299999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 P-O3'-C3' 123.161 2.884 . . . . 3.96 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 1 O4'-C1'-N19 112.119 5.398 . . . . 4.8799999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.162 0 P-O3'-C3' 122.602 2.419 . . . . 4.0999999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.515 0 O5'-C5'-C4' 115.739 3.957 . . . . 6.1600000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.118 0 C4'-C3'-C2' 100.214 -2.986 . . . . 3.2400000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 O5'-C5'-C4' 116.229 4.306 . . . . 2.9199999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 1 P-O3'-C3' 126.213 5.427 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 123.394 3.079 . . . . 1.6000000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.822 0 C5'-C4'-O4' 113.456 2.535 . . . . 1.8999999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 P-O3'-C3' 123.906 3.505 . . . . 1.8899999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 1 O4'-C1'-N19 111.429 4.536 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-C2' 103.219 -2.619 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.249 1 O4'-C1'-N19 111.662 4.827 . . . . 2.46 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.054 2.795 . . . . 3.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.329 0 P-O3'-C3' 122.449 2.291 . . . . 4.0099999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 108.374 -0.973 . . . . 21.620000000000001 108.374 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 67.82 101.29 0.05 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.8 1.64 . . . . 20.940000000000001 114.284 167.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -161.61 90.4 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.343 -0.848 . . . . 14.880000000000001 109.422 163.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.6 169.23 1.37 Allowed 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 121.871 -0.518 . . . . 9.3900000000000006 112.014 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.41 75.27 0.02 OUTLIER Glycine 0 CA--C 1.526 0.766 0 CA-C-N 118.721 0.691 . . . . 5.8499999999999996 114.211 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.93 134.29 56.95 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.749 0.819 . . . . 6.3899999999999997 110.261 170.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -100.47 174.83 5.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.484 1.513 . . . . 4.1100000000000003 110.55 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m -90.94 109.07 20.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.459 -1.312 . . . . 5.0899999999999999 107.459 163.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -75.15 162.46 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.367 -0.975 . . . . 4.7199999999999998 108.367 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -84.81 159.24 20.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.779 -1.193 . . . . 3.1699999999999999 107.779 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -64.57 -51.19 64.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 107.661 -1.237 . . . . 7.2599999999999998 107.661 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -37.68 -56.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.502 1.521 . . . . 4.5499999999999998 113.148 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.74 -44.2 78.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.936 -0.706 . . . . 4.2199999999999998 110.499 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -52.96 -42.94 65.97 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.111 0.564 . . . . 3.21 110.341 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.97 -48.82 51.96 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.085 0.954 . . . . 4.25 113.258 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -76.96 -30.06 55.86 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.606 0.639 . . . . 5.0499999999999998 110.308 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -48.61 75.54 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.521 0.729 . . . . 3.2400000000000002 110.032 172.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.93 -44.05 70.31 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.358 -0.839 . . . . 3.46 111.151 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.52 -32.5 73.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.266 0.626 . . . . 6.5199999999999996 112.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.46 -41.24 93.61 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.264 -0.897 . . . . 3.3500000000000001 109.036 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.63 -25.97 64.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.812 -0.555 . . . . 2.75 111.783 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.41 -53.91 30.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.469 -0.937 . . . . 5.4699999999999998 108.469 172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -57.98 -48.84 78.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.764 0.826 . . . . 5.6699999999999999 111.351 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 164.14 28.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.405 1.082 . . . . 4.1100000000000003 109.749 -158.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -116.03 -55.71 2.38 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.837 -0.54 . . . . 5.3700000000000001 109.699 166.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -95.56 102.66 14.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.237 1.415 . . . . 5.2000000000000002 109.673 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.82 135.71 55.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.607 -1.257 . . . . 2.5899999999999999 107.607 174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -68.18 115.35 7.55 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.555 -1.646 . . . . 3.9700000000000002 106.555 166.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 23.57 -98.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.956 2.102 . . . . 6.4100000000000001 113.675 165.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -71.11 -18.52 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 118.758 -0.639 . . . . 8.9399999999999995 111.544 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -46.07 -42.28 13.3 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 119.802 1.183 . . . . 4.2999999999999998 109.449 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -61.16 -38.37 86.21 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.314 -0.866 . . . . 5.1200000000000001 111.768 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -68.43 -45.86 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 124.235 1.014 . . . . 3.7799999999999998 109.474 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.06 -48.82 80.13 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 122.101 -0.374 . . . . 3.5 110.154 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.38 -56.87 3.09 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 C-N-CA 125.459 1.504 . . . . 2.75 109.068 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.28 18.86 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.26 0.624 . . . . 2.0699999999999998 111.313 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -57.62 -51.2 70.48 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.837 -0.431 . . . . 3.7400000000000002 109.837 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.09 -53.84 30.41 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.95 0.9 . . . . 3.6400000000000001 111.255 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.32 -20.55 62.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.494 0.718 . . . . 2.5 111.814 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 63.8 m 66.78 51.27 1.05 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.815 1.646 . . . . 2.4199999999999999 110.39 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.11 -151.96 0.49 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.909 1.684 . . . . 2.6899999999999999 106.722 167.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 72.6 p -127.72 161.68 28.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.045 -1.095 . . . . 2.9399999999999999 108.045 168.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -36.62 71.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.169 0.803 . . . . 4.2999999999999998 113.169 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttm105 -37.72 -63.97 0.42 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.868 0.467 . . . . 4.8700000000000001 111.181 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.54 -49.8 55.01 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 123.922 0.764 . . . . 3.8599999999999999 110.966 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.74 -45.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.908 -0.775 . . . . 1.6499999999999999 108.908 -174.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -52.13 -56.19 16.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.568 -0.707 . . . . 4.1200000000000001 109.337 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -56.99 -47.16 83.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 O-C-N 123.238 0.336 . . . . 1.3999999999999999 110.548 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -51.6 -58.94 4.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.709 0.766 . . . . 1.71 109.506 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -64.85 -51.29 62.84 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.022 -1.049 . . . . 2.2799999999999998 111.183 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -41.19 -54.16 2.98 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.302 1.041 . . . . 4.5800000000000001 110.399 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.0 -55.9 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.222 -1.029 . . . . 4.6900000000000004 108.222 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -53.18 -40.29 64.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.992 0.917 . . . . 3.5499999999999998 111.763 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -57.66 -18.1 18.56 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.898 -1.126 . . . . 6.0999999999999996 113.696 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.97 -70.86 0.36 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.502 -1.296 . . . . 2.9900000000000002 107.502 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -49.04 -40.4 31.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.985 1.714 . . . . 6.0800000000000001 113.937 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -30.82 -43.93 0.05 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 126.591 1.956 . . . . 3.6000000000000001 112.675 170.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -74.67 72.54 1.98 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.116 -0.698 . . . . 6.8399999999999999 109.116 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp 142.87 -55.14 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.478 1 C-N-CA 132.228 4.211 . . . . 8.0500000000000007 107.822 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.28 -29.5 61.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.748 0.647 . . . . 4.6500000000000004 112.748 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -70.23 -30.54 67.63 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 122.114 -0.366 . . . . 5.75 111.572 -175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt 57.87 12.13 1.62 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.293 1.437 . . . . 10.869999999999999 113.967 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -62.65 128.85 37.88 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.293 -1.373 . . . . 10.43 107.293 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? 46.23 33.08 1.67 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.74 1.216 . . . . 15.01 112.235 -170.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.7 -44.21 2.25 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.918 -1.114 . . . . 12.380000000000001 112.483 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 119.88 80.93 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.262 1 C-N-CA 132.797 4.439 . . . . 15.91 105.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -48.52 -65.56 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 124.395 3.397 . . . . 18.690000000000001 113.207 -169.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.545 0 N-CA-C 110.912 -0.875 . . . . 20.059999999999999 110.912 -174.083 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 2 O4'-C1'-N19 114.914 8.892 . . . . 4.5499999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.724 1 O4'-C1'-N19 111.074 4.093 . . . . 4.3600000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.65 0 P-O3'-C3' 124.052 3.626 . . . . 3.7999999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 1 O5'-C5'-C4' 115.954 4.11 . . . . 4.3300000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.22 2 O4'-C1'-N19 112.765 6.206 . . . . 3.1499999999999999 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-C2' 102.078 -3.657 . . . . 2.1099999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 1 O4'-C1'-N19 113.715 7.394 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 P-O3'-C3' 123.584 3.237 . . . . 2.1899999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 111.302 4.378 . . . . 2.8999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 P-O3'-C3' 123.271 2.976 . . . . 2.1499999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.921 0 O4'-C1'-C2' 102.317 -3.439 . . . . 2.4399999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.965 1 O4'-C1'-N19 112.413 5.767 . . . . 3.6000000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.011 0 N19-C1'-C2' 108.198 -3.751 . . . . 3.7200000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.968 0 O4'-C1'-N19 110.69 3.612 . . . . 4.7699999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 116.351 10.689 . . . . 7.6100000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 2 O4'-C1'-N19 115.517 9.646 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.714 6.143 . . . . 5.8499999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.255 3 O4'-C1'-N19 116.172 10.465 . . . . 5.1200000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.997 3.581 . . . . 3.5699999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 1 C2'-C3'-O3' 121.628 4.084 . . . . 2.7799999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 1 P-O3'-C3' 126.875 5.98 . . . . 2.0600000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 109.982 2.728 . . . . 2.75 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 O5'-C5'-C4' 115.42 3.728 . . . . 2.2400000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 1 P-O3'-C3' 124.541 4.034 . . . . 2.8300000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.568 0 O4'-C1'-N19 110.613 3.516 . . . . 4.0800000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 111.184 4.229 . . . . 2.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 0 P-O3'-C3' 122.899 2.666 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 C4'-C3'-C2' 100.187 -3.013 . . . . 4.5899999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 108.382 -0.97 . . . . 16.370000000000001 108.382 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.51 72.4 1.38 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.505 -0.554 . . . . 20.0 109.505 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 155.73 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.618 0.767 . . . . 13.77 110.752 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 mtt85 -77.26 156.28 31.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.966 1.307 . . . . 10.369999999999999 108.775 168.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.13 -112.97 3.47 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 107.665 -2.174 . . . . 6.8899999999999997 107.665 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 28.1 ttp-105 104.15 136.64 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 130.909 3.684 . . . . 9.1300000000000008 106.23 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -153.89 108.61 3.1 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.256 -1.016 . . . . 5.3099999999999996 108.256 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.66 21.8 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.293 -1.003 . . . . 6.4500000000000002 108.293 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.37 159.81 14.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.179 1.392 . . . . 5.6299999999999999 110.734 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -78.35 127.32 32.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 117.396 -1.287 . . . . 5.2999999999999998 108.501 165.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -44.23 -43.06 6.99 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.911 0.757 . . . . 9.7799999999999994 111.146 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -38.75 -51.51 1.7 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.754 1.221 . . . . 6.71 111.48 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.04 -58.02 10.33 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.634 -0.666 . . . . 4.4900000000000002 109.287 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -52.33 -33.13 41.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.861 1.265 . . . . 5.5700000000000003 111.788 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -59.95 3.83 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.972 0.909 . . . . 8.1300000000000008 111.979 -168.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.52 -36.83 83.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.825 -0.75 . . . . 6.7400000000000002 109.183 -173.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.3 mt -53.62 -44.93 69.89 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.77 1.228 . . . . 3.75 111.779 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.08 -48.35 61.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.43 1.014 . . . . 6.2999999999999998 110.726 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.71 -40.84 97.75 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 110.074 -0.343 . . . . 9.6500000000000004 110.074 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.28 -45.34 93.66 Favored 'General case' 0 C--O 1.224 -0.265 0 O-C-N 121.336 -0.853 . . . . 6.6399999999999997 110.929 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.2 -48.48 81.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.563 0.619 . . . . 3.96 110.253 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.24 -43.02 74.18 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.795 -0.566 . . . . 8.1199999999999992 109.66 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -65.05 -43.51 92.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.4 0.68 . . . . 7.2300000000000004 112.456 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.77 151.74 20.52 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.906 0.883 . . . . 4.5999999999999996 111.772 -161.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -116.93 -40.89 3.08 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.716 1.607 . . . . 4.3300000000000001 109.617 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -91.37 101.34 14.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.491 0.716 . . . . 4.9000000000000004 110.302 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.3 177.92 3.11 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.303 -0.999 . . . . 3.6400000000000001 108.303 165.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 2.2 t -132.34 -177.88 4.67 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.184 -0.673 . . . . 6.3600000000000003 109.184 159.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -85.39 41.54 0.9 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.908 0.883 . . . . 6.6699999999999999 112.522 -158.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -129.03 -53.46 1.21 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.13 -1.433 . . . . 12.460000000000001 107.13 153.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -50.88 -39.55 54.36 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.067 0.849 . . . . 7.46 110.76 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -44.44 -49.25 9.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.226 0.61 . . . . 5.0700000000000003 111.538 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.09 -49.02 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.632 1.173 . . . . 5.96 109.496 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -55.23 -46.92 76.0 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-O 118.574 -0.727 . . . . 7.5999999999999996 111.562 -174.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.22 -60.05 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.355 -0.98 . . . . 4.3200000000000003 108.355 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.99 -56.83 5.0 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.343 1.057 . . . . 3.3199999999999998 110.123 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.28 -41.35 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.142 -0.974 . . . . 5.1399999999999997 112.456 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.76 73.98 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.321 1.049 . . . . 5.04 110.053 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.35 -8.26 48.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.915 0.886 . . . . 5.1900000000000004 111.444 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 66.13 37.07 5.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.659 1.984 . . . . 5.2000000000000002 111.81 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.51 171.9 7.11 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.785 1.634 . . . . 3.0699999999999998 108.778 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 37.3 p -101.1 152.44 20.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.156 0.982 . . . . 3.0 110.427 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -57.06 -39.32 74.69 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.35 -0.844 . . . . 4.9800000000000004 111.812 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -43.07 -63.46 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 108.955 -0.757 . . . . 4.5 108.955 168.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.69 -45.94 81.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.076 -0.712 . . . . 2.77 109.076 -173.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.85 -37.84 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.791 0.723 . . . . 3.2000000000000002 112.343 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -52.14 -61.93 1.96 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.559 -1.274 . . . . 5.2300000000000004 107.559 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.07 -47.25 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 113.356 -1.747 . . . . 2.6400000000000001 109.507 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -51.4 -54.3 27.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.97 0.908 . . . . 3.1699999999999999 110.048 -168.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.06 -54.55 8.25 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 123.799 0.84 . . . . 2.6899999999999999 109.033 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -47.63 -60.6 2.44 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 122.104 0.954 . . . . 7.3499999999999996 109.839 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.39 -22.15 61.17 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.641 -0.662 . . . . 6.4000000000000004 110.575 -167.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.56 -35.81 78.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.878 -1.139 . . . . 5.3300000000000001 110.039 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -56.7 -29.9 62.9 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.774 -1.204 . . . . 4.7199999999999998 111.145 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.0 mmt -89.63 -31.15 17.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.095 0.958 . . . . 2.7200000000000002 110.282 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -57.46 -49.22 76.97 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.863 -0.792 . . . . 5.0599999999999996 108.863 165.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.14 -179.26 0.14 Allowed 'General case' 0 N--CA 1.427 -1.59 0 C-N-CA 126.523 1.929 . . . . 4.3899999999999997 107.352 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttt 62.6 -67.08 0.08 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 128.482 2.713 . . . . 6.1600000000000001 109.797 -163.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -60.32 -71.45 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.197 -1.408 . . . . 9.6300000000000008 107.197 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -94.42 57.19 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.831 -1.544 . . . . 7.5700000000000003 106.831 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -43.99 -50.84 8.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.557 1.143 . . . . 6.2999999999999998 113.386 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -77.25 81.17 3.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.745 -1.206 . . . . 11.369999999999999 107.745 168.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.42 114.78 1.33 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.15 -1.426 . . . . 12.289999999999999 107.15 166.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -79.88 -21.94 43.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.553 1.316 . . . . 19.739999999999998 114.553 -140.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.4 123.18 4.12 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.411 1.005 . . . . 18.48 111.93 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.46 106.24 38.26 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 125.425 1.49 . . . . 21.59 107.702 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.97 146.45 82.63 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.591 1.527 . . . . 23.390000000000001 111.449 -169.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.494 0 N-CA-C 107.602 -2.199 . . . . 27.48 107.602 178.137 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 1 C4'-C3'-C2' 98.607 -4.593 . . . . 6.5099999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.336 1 O4'-C1'-N19 111.306 4.383 . . . . 5.2300000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.42 0 O4'-C1'-N19 110.549 3.436 . . . . 5.0899999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.939 1 O4'-C4'-C3' 109.805 4.205 . . . . 4.3300000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 O4'-C1'-N19 111.665 4.832 . . . . 2.8300000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.452 0 O4'-C4'-C3' 108.249 2.649 . . . . 2.8799999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 2 O4'-C1'-N19 111.862 5.077 . . . . 1.5800000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 1 O4'-C1'-N19 111.254 4.317 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.898 0 O4'-C1'-N19 110.756 3.695 . . . . 1.9099999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 P-O3'-C3' 124.407 3.922 . . . . 2.0899999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 C4'-C3'-O3' 118.524 3.738 . . . . 1.9099999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.156 1 P-O3'-C3' 126.585 5.737 . . . . 3.5699999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.102 2 O4'-C4'-C3' 110.212 4.612 . . . . 2.1299999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 0 P-O3'-C3' 124.119 3.683 . . . . 3.1899999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 114.24 8.05 . . . . 5.4800000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.521 3.402 . . . . 4.5499999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 0 C4'-C3'-C2' 99.309 -3.891 . . . . 3.9199999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.478 1 P-O3'-C3' 124.869 4.308 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 O4'-C1'-C2' 102.077 -3.658 . . . . 2.1299999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 2 O4'-C1'-N19 111.62 4.775 . . . . 2.2400000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 1 C4'-C3'-C2' 98.895 -4.305 . . . . 1.8899999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.762 0 N19-C1'-C2' 109.714 -2.804 . . . . 3.8599999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 1 P-O3'-C3' 125.588 4.906 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 C4'-C3'-C2' 99.606 -3.594 . . . . 3.1499999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.007 0 O4'-C1'-N19 110.966 3.957 . . . . 3.1000000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.974 5.218 . . . . 4.2800000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.42 0 O4'-C1'-N19 110.725 3.657 . . . . 4.3200000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.441 0 P-O3'-C3' 123.731 3.359 . . . . 4.0899999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 120.265 0.078 . . . . 29.050000000000001 110.816 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -133.74 80.35 1.87 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.425 1.09 . . . . 23.460000000000001 108.102 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -81.14 -142.24 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.105 -1.442 . . . . 23.379999999999999 107.105 165.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -44.29 138.78 2.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.874 0.869 . . . . 14.25 110.172 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 53.42 0.41 Allowed Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.762 1.172 . . . . 8.7300000000000004 110.673 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -36.9 78.86 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 122.695 1.236 . . . . 9.5899999999999999 111.232 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -118.26 158.88 24.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.086 -2.19 . . . . 4.6500000000000004 105.086 152.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.95 143.85 33.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.232 1.413 . . . . 5.6100000000000003 107.766 175.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.03 126.53 55.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.608 -1.626 . . . . 4.8799999999999999 106.608 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -92.37 154.84 18.3 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.079 0.952 . . . . 4.9000000000000004 112.706 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -42.31 -55.4 3.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.518 2.327 . . . . 12.539999999999999 111.89 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -62.88 -52.74 61.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.369 0.604 . . . . 5.7599999999999998 111.408 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -30.09 69.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.406 -0.361 . . . . 6.25 110.833 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -65.25 -43.81 90.14 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.616 -0.678 . . . . 4.0599999999999996 110.34 171.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -51.37 4.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.008 1.323 . . . . 7.6399999999999997 113.523 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -45.97 -54.85 7.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 122.582 1.182 . . . . 7.0999999999999996 109.669 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 mt -76.65 -31.08 57.11 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.559 -1.655 . . . . 3.7999999999999998 110.348 -164.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.95 -48.75 67.12 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.561 -0.533 . . . . 5.1600000000000001 109.561 168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.42 -52.67 56.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 119.021 -0.514 . . . . 7.0499999999999998 111.185 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -48.78 -63.04 1.21 Allowed 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.19 -0.67 . . . . 4.4199999999999999 109.19 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.5 -41.88 86.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.794 0.294 . . . . 2.5099999999999998 111.794 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.53 -36.7 62.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.355 0.262 . . . . 4.6900000000000004 110.838 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.62 -48.34 7.35 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.326 1.05 . . . . 6.2599999999999998 112.167 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.83 145.95 12.62 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.592 1.557 . . . . 3.9399999999999999 112.227 -161.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -107.24 -71.37 0.76 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.897 1.279 . . . . 4.6500000000000004 111.93 -170.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.46 127.32 30.98 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.723 -0.611 . . . . 5.3600000000000003 110.472 -168.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.71 164.31 11.92 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.917 0.865 . . . . 4.6799999999999997 110.347 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -84.57 153.08 23.45 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.067 -1.086 . . . . 6.7800000000000002 108.067 158.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -39.58 -64.58 0.46 Allowed 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.613 1.165 . . . . 6.2800000000000002 111.138 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -65.14 -41.08 95.11 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 118.257 -0.878 . . . . 10.359999999999999 110.342 -167.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -51.57 -51.54 54.6 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.995 1.27 . . . . 8.7200000000000006 109.938 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -26.84 68.74 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.98 -0.45 . . . . 6.7000000000000002 111.421 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.08 -52.61 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.046 -1.033 . . . . 5.2300000000000004 110.293 167.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -50.65 -49.36 57.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.922 0.889 . . . . 6.1399999999999997 110.356 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.58 -53.69 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 122.16 0.981 . . . . 4.4800000000000004 108.851 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.01 70.84 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.669 -0.696 . . . . 3.2200000000000002 112.364 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -67.06 -52.22 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.606 -0.438 . . . . 4.2400000000000002 110.467 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.97 22.7 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.526 1.13 . . . . 4.6200000000000001 110.798 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 54.2 mt -80.39 -11.76 59.66 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.385 0.674 . . . . 4.8300000000000001 111.938 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 21.2 m 56.68 58.27 4.23 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 4.1100000000000003 109.496 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -133.35 169.15 17.35 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.144 1.778 . . . . 2.9300000000000002 106.785 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.7 p -66.38 157.81 30.89 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.23 -0.655 . . . . 2.4199999999999999 109.23 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -54.23 -44.97 72.16 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.232 -0.655 . . . . 4.0899999999999999 109.232 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -55.82 -56.56 19.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 119.363 -0.351 . . . . 4.2000000000000002 111.187 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -51.17 -40.42 58.57 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.291 0.496 . . . . 2.73 110.951 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.05 -56.06 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 O-C-N 121.772 -0.58 . . . . 2.5800000000000001 110.931 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.95 -54.64 7.95 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 109.214 -0.661 . . . . 4.0800000000000001 109.214 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -62.37 -41.46 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.584 -0.446 . . . . 1.5800000000000001 110.423 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -52.12 -48.08 65.0 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.942 -0.473 . . . . 2.29 110.291 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -66.28 -60.63 2.6 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.722 -0.611 . . . . 2.8500000000000001 110.944 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.13 -56.89 0.73 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.686 1.995 . . . . 5.9199999999999999 110.935 174.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.45 72.13 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.03 -0.419 . . . . 5.5300000000000002 110.213 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -38.58 81.98 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.798 -0.445 . . . . 4.3099999999999996 109.798 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -61.32 -57.9 10.44 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.058 0.943 . . . . 5.5899999999999999 111.301 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mmt -51.8 -50.54 60.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.5 0.591 . . . . 2.3100000000000001 109.491 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -47.72 -56.65 6.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.891 0.853 . . . . 5.1299999999999999 111.248 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.04 101.91 1.51 Allowed 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 123.394 1.569 . . . . 3.4100000000000001 109.137 -175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -157.66 -79.46 0.07 Allowed 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 129.24 3.016 . . . . 5.6799999999999997 108.159 164.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -57.28 -40.83 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.735 0.779 . . . . 6.7699999999999996 109.213 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.57 44.76 1.23 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.467 1.107 . . . . 4.4699999999999998 112.456 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.94 69.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 106.859 -1.534 . . . . 6.0599999999999996 106.859 148.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -32.45 -81.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.739 2.016 . . . . 11.01 113.503 -169.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 40.75 51.37 3.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.382 0.673 . . . . 11.529999999999999 109.522 -154.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -162.31 47.82 0.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.378 1.871 . . . . 15.26 108.651 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.92 -68.52 1.33 Allowed Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.545 -1.822 . . . . 14.890000000000001 108.545 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -72.73 149.71 90.57 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 118.366 -0.826 . . . . 18.440000000000001 109.603 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.84 140.3 6.94 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.84 3.027 . . . . 21.629999999999999 112.288 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 106.704 -2.558 . . . . 21.899999999999999 106.704 -173.12 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.89 1 O4'-C1'-N19 112.937 6.421 . . . . 4.1600000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C1'-N19 112.26 5.575 . . . . 5.0800000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.523 0 O4'-C1'-N19 109.702 2.377 . . . . 6.7000000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.916 1 O4'-C4'-C3' 109.782 4.182 . . . . 5.1200000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 OP1-P-OP2 115.516 -2.723 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 112.611 6.014 . . . . 2.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 0 O5'-C5'-C4' 115.57 3.836 . . . . 3.0099999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 P-O3'-C3' 123.73 3.358 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 2 O4'-C1'-N19 112.214 5.518 . . . . 2.5600000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.277 1 O4'-C1'-N19 111.488 4.61 . . . . 1.9099999999999999 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.365 1 O4'-C1'-N19 115.899 10.124 . . . . 3.48 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.713 1 O4'-C1'-N19 112.759 6.199 . . . . 2.3399999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.625 1 N19-C1'-C2' 107.465 -4.209 . . . . 3.2999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.998 3.998 . . . . 5.6699999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 113.695 7.369 . . . . 6.5700000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.891 1 O4'-C1'-N19 113.738 7.422 . . . . 4.7999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.964 0 O4'-C1'-N19 110.661 3.576 . . . . 3.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.174 0 C1'-O4'-C4' 104.829 -3.479 . . . . 2.7400000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.205 0 O4'-C1'-C2' 101.734 -3.969 . . . . 2.1899999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 2 O4'-C1'-C2' 101.449 -4.229 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 2 C4'-C3'-C2' 98.62 -4.58 . . . . 2.0600000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 O4'-C4'-C3' 108.837 3.237 . . . . 2.6200000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.422 0 P-O3'-C3' 123.781 3.401 . . . . 1.73 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 O4'-C1'-N19 110.326 3.158 . . . . 2.0899999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 2 O4'-C1'-N19 112.79 6.237 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 1 O4'-C1'-N19 112.614 6.018 . . . . 2.98 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-C2' 102.884 -2.924 . . . . 3.6800000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.888 0 P-O3'-C3' 123.738 3.365 . . . . 5.1699999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 108.954 -0.758 . . . . 18.280000000000001 108.954 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.94 142.53 54.69 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.409 -0.589 . . . . 15.380000000000001 109.409 172.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 170.45 21.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.252 0.621 . . . . 12.99 111.116 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -157.91 173.75 16.3 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 127.575 2.35 . . . . 7.6699999999999999 106.006 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.21 -164.15 43.8 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.726 -0.95 . . . . 5.3899999999999997 110.726 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtp-105 -56.22 104.14 0.13 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.003 -1.11 . . . . 7.7699999999999996 108.003 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -68.14 162.64 24.34 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 105.961 -1.866 . . . . 3.9399999999999999 105.961 163.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -117.02 126.49 52.96 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 107.669 -1.234 . . . . 5.7599999999999998 107.669 154.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -76.6 134.66 39.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.591 -2.374 . . . . 4.3899999999999997 104.591 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 59.6 p -67.28 159.17 29.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.028 -0.73 . . . . 5.0 109.028 -171.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -47.83 69.02 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.763 0.71 . . . . 9.9399999999999995 110.148 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -48.16 -49.89 30.81 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.666 0.786 . . . . 3.9399999999999999 111.65 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.73 -52.51 56.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.694 0.398 . . . . 3.6000000000000001 110.144 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -56.39 -51.77 67.11 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.972 -0.381 . . . . 2.9100000000000001 109.972 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.37 -46.72 13.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.964 2.106 . . . . 3.79 112.369 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.65 -62.97 1.31 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.02 -1.104 . . . . 4.8899999999999997 108.02 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.92 -26.66 63.3 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.124 -1.853 . . . . 2.8900000000000001 112.062 -161.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -51.08 -32.37 21.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.316 0.507 . . . . 3.5899999999999999 110.794 167.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -82.05 -51.75 7.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.454 -0.573 . . . . 6.1699999999999999 109.454 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -51.45 -51.28 56.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.665 0.786 . . . . 3.6299999999999999 110.389 -173.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -58.3 -45.63 87.63 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.913 0.485 . . . . 2.4900000000000002 111.468 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -62.91 -21.98 66.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 119.297 -0.382 . . . . 7.3899999999999997 111.364 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.93 -44.94 10.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.898 1.279 . . . . 4.9400000000000004 111.91 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 146.01 6.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.27 1.428 . . . . 2.9700000000000002 109.116 -169.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -127.2 -58.63 1.27 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.838 -0.539 . . . . 6.0999999999999996 110.036 -159.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.18 134.35 45.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.872 -1.899 . . . . 4.71 105.872 165.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.08 155.19 25.33 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.344 -0.984 . . . . 3.5699999999999998 108.344 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.39 139.17 54.09 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 105.562 -2.014 . . . . 5.8300000000000001 105.562 158.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -43.35 -58.93 2.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.322 0.965 . . . . 6.9199999999999999 112.79 -169.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 -58.6 -23.72 59.35 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.276 -0.89 . . . . 6.54 113.111 -176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.17 -31.71 73.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.631 -1.918 . . . . 4.9400000000000004 109.894 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -58.07 -49.89 75.35 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.226 -1.398 . . . . 5.9699999999999998 107.226 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.65 -44.48 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.859 1.264 . . . . 3.9500000000000002 110.916 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.29 -36.2 68.89 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.661 -1.275 . . . . 4.3799999999999999 113.972 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.68 -53.11 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 108.694 -0.854 . . . . 3.2599999999999998 108.694 167.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.02 -48.83 52.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.41 1.084 . . . . 1.9299999999999999 110.535 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.81 -55.32 35.77 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.922 0.489 . . . . 2.96 110.302 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.55 -55.23 20.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.223 0.535 . . . . 2.8100000000000001 110.946 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 mt -77.27 -13.48 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.132 0.79 . . . . 3.4300000000000002 113.132 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.44 36.51 8.81 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.643 1.177 . . . . 2.4399999999999999 110.481 -173.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.46 171.52 7.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.3 -1.37 . . . . 2.3700000000000001 107.3 172.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -85.67 160.74 19.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.529 -0.545 . . . . 2.6299999999999999 109.529 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.42 -48.91 77.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.932 -0.766 . . . . 3.6899999999999999 108.932 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -44.38 -60.84 1.75 Allowed 'General case' 0 C--N 1.338 0.084 0 C-N-CA 124.415 1.086 . . . . 5.2800000000000002 109.236 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -54.46 -40.25 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 119.658 -0.211 . . . . 2.9100000000000001 111.33 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 mm -72.72 -19.78 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 O-C-N 119.981 -1.699 . . . . 1.6000000000000001 112.81 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -64.58 -63.12 1.21 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.231 -1.543 . . . . 3.1699999999999999 106.976 163.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -55.72 -45.26 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 114.636 -1.165 . . . . 1.4099999999999999 111.011 -167.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -51.59 -43.35 62.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.293 -0.879 . . . . 1.8300000000000001 110.799 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -75.84 -54.1 7.44 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.311 1.045 . . . . 2.6099999999999999 111.364 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -48.04 -59.48 3.34 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.233 -1.025 . . . . 6.1100000000000003 108.233 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.37 0.25 1.56 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 125.358 1.463 . . . . 4.0599999999999996 112.767 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -97.1 -64.76 1.01 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 119.617 1.098 . . . . 3.9700000000000002 108.374 163.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -54.09 -39.17 66.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.637 1.562 . . . . 6.9199999999999999 112.128 -170.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -60.95 1.99 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.617 -0.883 . . . . 2.6699999999999999 108.617 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -45.27 -38.37 5.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.727 2.411 . . . . 6.21 112.793 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -64.07 -140.67 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 128.299 2.64 . . . . 3.71 107.497 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 67.51 -67.26 0.18 Allowed 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 126.336 1.854 . . . . 5.7400000000000002 107.613 -161.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -37.99 -57.75 1.01 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.645 1.978 . . . . 8.2699999999999996 110.65 169.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -62.51 -70.67 0.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.788 0.835 . . . . 5.4500000000000002 112.769 -171.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 30.46 78.75 0.03 OUTLIER 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.034 1.733 . . . . 5.2400000000000002 112.555 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -72.82 108.72 5.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.196 -1.779 . . . . 12.460000000000001 106.196 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p 59.15 82.92 0.14 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 128.549 2.739 . . . . 11.779999999999999 110.144 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -45.48 142.77 2.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.212 1.405 . . . . 15.06 111.4 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.6 85.63 1.87 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.553 -1.419 . . . . 15.630000000000001 109.553 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -144.42 148.93 42.51 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 117.876 -1.059 . . . . 18.329999999999998 108.825 164.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -43.9 133.11 8.24 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 124.895 3.73 . . . . 22.91 113.323 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 107.869 -2.093 . . . . 23.120000000000001 107.869 -178.085 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.703 3.628 . . . . 4.7800000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.844 0 O4'-C1'-N19 110.129 2.911 . . . . 6.3300000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.187 1 O4'-C1'-N19 111.368 4.46 . . . . 4.1799999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 1 O4'-C1'-N19 112.414 5.767 . . . . 3.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.812 0 O4'-C1'-N19 110.691 3.614 . . . . 3.3199999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.389 0 O4'-C4'-C3' 109.219 3.619 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-N19 113.524 7.155 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C4'-C3' 109.06 3.46 . . . . 1.8899999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 0 O4'-C1'-N19 110.187 2.984 . . . . 2.3700000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.885 0 P-O3'-C3' 123.161 2.885 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.549 1 O4'-C1'-N19 111.814 5.018 . . . . 3.6499999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 2 P-O3'-C3' 125.663 4.969 . . . . 3.4199999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.196 2.995 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.982 1 O4'-C1'-N19 111.204 4.255 . . . . 3.6899999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 112.366 5.708 . . . . 4.8799999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.476 1 O4'-C1'-N19 111.761 4.951 . . . . 5.1600000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 1 P-O3'-C3' 124.779 4.232 . . . . 4.3600000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.241 0 P-O3'-C3' 123.126 2.855 . . . . 2.7599999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C1'-C2' 102.043 -3.689 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 112.043 5.303 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 C4'-C3'-C2' 99.231 -3.969 . . . . 1.8999999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.867 1 N19-C1'-C2' 107.679 -4.076 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 1 P-O3'-C3' 124.828 4.274 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 O4'-C1'-C2' 101.738 -3.965 . . . . 2.6400000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 111.118 4.148 . . . . 2.7200000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 O4'-C1'-N19 110.896 3.87 . . . . 2.8700000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.785 0 O4'-C1'-C2' 101.892 -3.825 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.428 0 P-O3'-C3' 124.048 3.623 . . . . 4.2199999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 108.093 -1.077 . . . . 20.300000000000001 108.093 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -148.52 116.29 6.32 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.72 1.608 . . . . 20.309999999999999 107.788 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -147.21 177.8 8.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.381 1.072 . . . . 14.390000000000001 111.318 -175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -137.45 150.14 47.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.707 2.003 . . . . 8.0099999999999998 106.578 147.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.68 143.53 4.03 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.9 0.762 . . . . 5.6399999999999997 112.943 165.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -60.62 -177.92 0.08 Allowed 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.597 1.559 . . . . 7.0800000000000001 112.61 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.75 150.87 42.34 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.34 1.456 . . . . 4.4500000000000002 107.628 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -95.3 88.66 5.21 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.405 1.082 . . . . 5.3300000000000001 109.678 170.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -80.0 92.26 5.56 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.225 -1.398 . . . . 3.4199999999999999 107.225 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.36 153.7 40.46 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 125.534 1.534 . . . . 3.1400000000000001 110.706 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -46.09 -52.64 11.69 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.439 0.696 . . . . 7.3799999999999999 111.861 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -43.96 -47.9 8.58 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.563 0.745 . . . . 3.7400000000000002 112.108 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -72.68 -51.75 18.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.626 -0.879 . . . . 3.3100000000000001 108.626 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -52.78 -34.22 52.29 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.581 -0.736 . . . . 2.5299999999999998 111.201 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.63 -61.64 2.46 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.064 0.946 . . . . 3.9900000000000002 110.865 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -66.5 -28.51 68.62 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.471 -0.891 . . . . 3.4700000000000002 110.677 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.48 -48.24 64.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.595 1.158 . . . . 2.23 111.457 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.74 -19.55 65.94 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 120.75 -1.219 . . . . 3.4700000000000002 112.011 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -73.68 -59.33 2.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.12 1.368 . . . . 6.0499999999999998 110.565 167.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -45.6 -56.82 4.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.292 1.037 . . . . 2.8799999999999999 110.272 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -43.16 -50.24 6.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.935 1.694 . . . . 2.7999999999999998 111.614 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -56.72 -40.89 76.48 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.068 0.547 . . . . 4.9699999999999998 109.924 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -69.21 -59.3 3.11 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.414 -0.804 . . . . 5.54 110.583 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.77 148.85 37.86 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.484 1.114 . . . . 2.9900000000000002 111.774 -166.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -48.57 6.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.766 1.226 . . . . 4.6399999999999997 109.108 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -83.73 133.04 34.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.333 -1.358 . . . . 4.2800000000000002 107.333 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 127.92 48.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 105.413 -2.069 . . . . 3.2999999999999998 105.413 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -78.6 165.72 23.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 119.055 0.843 . . . . 4.0099999999999998 111.297 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -56.95 119.32 6.07 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.09 -1.818 . . . . 5.1900000000000004 106.09 163.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 85.62 29.07 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 130.743 3.617 . . . . 6.5999999999999996 111.677 -175.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -135.98 -47.66 0.66 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.779 1.232 . . . . 4.3399999999999999 107.831 155.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -50.72 -56.37 12.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.696 1.198 . . . . 5.6699999999999999 109.789 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.72 -49.4 35.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 123.63 0.772 . . . . 3.3799999999999999 109.383 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -61.95 -45.25 94.5 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.791 -0.623 . . . . 4.2400000000000002 110.889 -166.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 mt -70.73 -40.16 76.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 124.096 0.872 . . . . 4.2400000000000002 110.868 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.82 23.89 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 110.057 -0.349 . . . . 1.6899999999999999 110.057 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.92 -52.08 65.52 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.77 -0.581 . . . . 2.6000000000000001 111.162 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.14 -54.3 13.79 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.841 0.856 . . . . 2.3500000000000001 111.707 -176.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -88.39 -4.05 58.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.139 1.376 . . . . 2.6400000000000001 112.362 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 70.61 59.93 0.21 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.664 1.186 . . . . 2.3399999999999999 111.073 171.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 31.5 mt -136.18 -179.21 5.53 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.754 2.022 . . . . 3.4900000000000002 107.415 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -94.06 161.93 14.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.527 0.731 . . . . 3.3300000000000001 109.852 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -46.18 -52.2 12.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.848 0.859 . . . . 3.7799999999999998 111.189 173.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -49.56 -49.1 47.73 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.997 -0.371 . . . . 4.4199999999999999 109.997 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.17 -41.4 97.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.78 -0.575 . . . . 2.6400000000000001 110.728 -171.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.3 -54.23 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 121.453 -0.779 . . . . 1.5600000000000001 109.255 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -46.61 -57.56 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.467 -0.771 . . . . 4.5700000000000003 110.304 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mm -49.23 -59.33 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 C-N-CA 126.207 1.803 . . . . 1.3400000000000001 110.631 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -49.02 -49.82 39.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.746 0.703 . . . . 1.48 110.089 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.74 -48.26 72.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.63 -0.669 . . . . 2.04 110.319 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.72 -55.53 33.71 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.802 -0.561 . . . . 6.54 109.796 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.8 -53.55 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.522 1.129 . . . . 3.73 110.05 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -39.67 66.99 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.316 0.579 . . . . 3.5899999999999999 110.107 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -63.35 -47.77 80.74 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.119 -1.613 . . . . 4.5499999999999998 112.355 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -56.21 -45.53 79.83 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.609 -0.682 . . . . 2.1499999999999999 109.849 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.73 -58.82 5.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.456 1.102 . . . . 7.0199999999999996 111.409 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -43.34 -27.52 0.26 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 126.926 2.09 . . . . 3.0099999999999998 114.079 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -48.03 -54.16 13.91 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.625 0.648 . . . . 6.7800000000000002 110.264 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.01 -43.94 82.32 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.118 0.961 . . . . 7.4699999999999998 111.204 -175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.88 -29.09 70.31 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.93 0.892 . . . . 5.29 111.176 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -98.36 23.76 8.05 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.311 1.044 . . . . 6.5499999999999998 110.34 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt 47.52 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 129.051 2.94 . . . . 12.210000000000001 111.766 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 5.6 t 35.83 -129.84 0.1 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.18 2.192 . . . . 13.4 110.475 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -133.43 171.4 14.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.654 1.582 . . . . 22.02 108.663 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.72 58.05 0.07 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 107.721 -2.152 . . . . 19.41 107.721 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -88.3 127.43 57.08 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 108.679 -0.86 . . . . 23.760000000000002 108.679 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -64.28 -166.82 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.183 2.588 . . . . 27.25 113.359 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.777 0 N-CA-C 106.686 -2.566 . . . . 29.530000000000001 106.686 166.01 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 113.576 7.22 . . . . 6.8300000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 O4'-C4'-C3' 108.723 3.123 . . . . 5.9199999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.638 1 O4'-C1'-N19 112.071 5.338 . . . . 6.4299999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 112.341 5.676 . . . . 5.3600000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 C4'-C3'-C2' 99.108 -4.092 . . . . 2.6600000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C4'-C3' 108.637 3.037 . . . . 4.2000000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 1 O4'-C1'-N19 111.698 4.873 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.179 4.224 . . . . 1.6799999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.151 1 O4'-C1'-N19 111.609 4.761 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C4'-C3' 108.756 3.156 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.662 0 O4'-C1'-N19 110.566 3.457 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 0 N19-C1'-C2' 108.523 -3.548 . . . . 3.0699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 1 N19-C1'-C2' 106.822 -4.611 . . . . 2.6099999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.337 0 P-O3'-C3' 124.115 3.679 . . . . 4.0999999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.009 1 O4'-C1'-N19 113.401 7.002 . . . . 5.6200000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 112.275 5.593 . . . . 4.4000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 P-O3'-C3' 123.753 3.377 . . . . 3.3100000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 P-O3'-C3' 122.838 2.615 . . . . 3.1200000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 P-O3'-C3' 124.048 3.623 . . . . 2.3999999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 3 O4'-C1'-N19 112.824 6.28 . . . . 3.0899999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 1 O4'-C1'-N19 114.184 7.979 . . . . 2.8599999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 0 N19-C1'-C2' 108.19 -3.756 . . . . 2.2000000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 P-O3'-C3' 123.72 3.35 . . . . 2.2999999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.985 0 O4'-C1'-N19 109.782 2.478 . . . . 2.3399999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C4'-C3' 108.407 2.807 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-C2' 103.235 -2.605 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.072 0 O4'-C1'-N19 110.854 3.817 . . . . 4.7400000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 0 P-O3'-C3' 123.914 3.511 . . . . 5.7400000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 107.165 -1.42 . . . . 22.190000000000001 107.165 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -56.63 134.33 54.45 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 108.437 -0.949 . . . . 18.989999999999998 108.437 172.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -104.09 149.89 24.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.431 0.692 . . . . 14.31 110.456 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -85.75 166.32 16.19 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.804 1.642 . . . . 8.9000000000000004 108.41 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.05 114.75 0.79 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.616 1.579 . . . . 5.6100000000000003 110.237 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -74.91 137.04 41.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.219 -0.66 . . . . 6.0499999999999998 109.219 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.86 -179.46 7.29 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 125.065 1.346 . . . . 4.7300000000000004 107.816 157.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -142.95 142.2 31.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 106.595 -1.631 . . . . 5.7199999999999998 106.595 143.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -77.36 125.9 30.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.065 -1.087 . . . . 3.75 108.065 -175.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -61.82 142.18 57.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.459 -1.682 . . . . 4.9199999999999999 106.459 153.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -46.44 -42.21 14.97 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.809 0.731 . . . . 6.9400000000000004 111.351 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -39.09 -47.75 1.59 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.394 1.478 . . . . 6.3399999999999999 113.1 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.11 -49.79 68.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.288 0.495 . . . . 4.1299999999999999 109.67 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.54 -48.14 69.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.496 0.719 . . . . 3.5600000000000001 110.811 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -44.27 -59.64 2.28 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.742 1.015 . . . . 4.29 113.742 -166.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.48 -25.64 64.17 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.079 -1.013 . . . . 4.8300000000000001 112.144 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.88 -35.16 72.24 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.542 0.737 . . . . 2.9900000000000002 109.536 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.29 -41.41 68.86 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.262 -0.899 . . . . 3.1299999999999999 110.549 167.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.37 -38.04 68.61 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.9 0.48 . . . . 5.1100000000000003 110.911 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.43 -49.2 70.54 Favored 'General case' 0 C--O 1.226 -0.154 0 O-C-N 121.233 -0.917 . . . . 3.27 110.119 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.01 -44.81 94.33 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.58 -0.526 . . . . 3.4199999999999999 109.58 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -51.49 -58.66 5.66 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.744 -0.836 . . . . 5.9100000000000001 108.744 171.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.73 -76.77 0.08 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.961 0.356 . . . . 5.5700000000000003 111.961 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.11 93.91 4.68 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.555 1.942 . . . . 3.75 108.884 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -48.88 -44.08 39.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.169 -0.444 . . . . 5.9100000000000001 111.792 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -105.05 131.2 52.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.759 1.224 . . . . 5.5899999999999999 108.23 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.38 133.56 39.19 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.581 -0.699 . . . . 3.1800000000000002 110.269 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -59.27 144.67 45.58 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 107.488 -1.301 . . . . 4.2000000000000002 107.488 158.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -57.41 -38.51 74.43 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 120.7 -1.25 . . . . 5.1500000000000004 109.596 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -67.15 64.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.8 1.64 . . . . 7.0099999999999998 109.712 164.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 178.39 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.32 3.048 . . . . 4.3700000000000001 105.027 171.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -51.62 -54.46 27.54 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 4.9800000000000004 109.434 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.48 -47.12 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 124.282 1.033 . . . . 3.1000000000000001 110.085 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.29 -45.05 67.09 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 3.6000000000000001 108.543 -165.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.51 -43.24 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 123.556 0.743 . . . . 3.8399999999999999 111.104 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.91 -47.74 31.98 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.483 -0.562 . . . . 2.79 109.483 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -62.98 -49.26 75.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.035 -0.507 . . . . 3.1000000000000001 111.958 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 -67.66 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.751 1.22 . . . . 2.77 110.412 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.22 -20.46 65.69 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.937 0.895 . . . . 3.6600000000000001 111.338 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m 63.9 53.16 1.96 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.889 1.276 . . . . 2.52 109.939 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.6 176.28 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.478 2.311 . . . . 2.4500000000000002 107.505 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.8 p -77.76 158.62 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.297 0.57 . . . . 3.5800000000000001 110.766 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.89 -47.17 71.39 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.058 -1.09 . . . . 4.1900000000000004 108.058 167.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -38.06 -59.95 0.8 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 124.554 1.142 . . . . 4.5800000000000001 110.945 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -50.96 -41.76 59.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 122.123 -0.361 . . . . 4.7000000000000002 111.511 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.54 -2.07 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.304 -0.872 . . . . 2.5499999999999998 111.729 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -77.15 -62.9 1.5 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 119.197 -2.19 . . . . 5.6500000000000004 108.308 152.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -52.2 -54.63 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 126.242 1.817 . . . . 2.23 113.461 -168.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -55.85 -52.41 64.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.301 0.572 . . . . 1.8799999999999999 110.524 -170.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -62.25 -55.96 23.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 123.09 0.556 . . . . 2.0699999999999998 110.221 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -41.06 -66.17 0.36 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.688 1.595 . . . . 4.5999999999999996 109.701 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -61.26 -51.32 69.4 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.716 0.806 . . . . 4.8099999999999996 110.668 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -51.7 -31.18 25.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.082 0.953 . . . . 3.98 111.953 -166.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -51.19 -37.16 45.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.699 0.681 . . . . 6.1600000000000001 112.717 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mmt -54.68 -33.48 60.88 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.663 -0.648 . . . . 4.0099999999999998 111.795 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -103.25 -45.15 4.98 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.402 1.096 . . . . 4.7000000000000002 110.953 -169.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.33 96.19 0.15 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 104.824 -2.287 . . . . 7.1399999999999997 104.824 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -175.02 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 128.862 2.865 . . . . 10.15 106.914 163.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -85.22 -63.68 1.29 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.535 -0.913 . . . . 8.2699999999999996 108.535 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.66 -10.46 59.8 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 114.343 1.238 . . . . 7.5599999999999996 114.343 -165.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -79.27 41.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.523 -1.36 . . . . 8.3699999999999992 111.339 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -165.03 72.48 0.19 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 130.823 3.649 . . . . 11.5 103.638 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -80.21 22.17 0.55 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.957 1.095 . . . . 15.66 113.957 -159.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -60.21 104.08 0.29 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.98 . . . . 22.960000000000001 111.119 -170.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.82 177.57 36.73 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 108.552 -1.819 . . . . 20.469999999999999 108.552 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -107.03 177.18 1.38 Allowed Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.251 1.42 . . . . 24.989999999999998 109.998 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -49.04 156.1 2.4 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.438 2.759 . . . . 29.07 113.863 168.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 106.339 -2.704 . . . . 28.82 106.339 -179.031 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.061 1 O4'-C1'-N19 111.561 4.701 . . . . 6.3200000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.902 0 P-O3'-C3' 123.651 3.292 . . . . 5.0899999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.419 1 O4'-C1'-N19 111.5 4.625 . . . . 4.1900000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 0 C3'-C2'-C1' 107.57 3.479 . . . . 4.2000000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 1 P-O3'-C3' 124.682 4.152 . . . . 2.6099999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.691 0 O4'-C1'-N19 110.547 3.433 . . . . 2.2400000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.692 3.615 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.855 0 O4'-C1'-C2' 101.859 -3.856 . . . . 2.1600000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 112.197 5.497 . . . . 2.7200000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 O4'-C1'-N19 109.952 2.69 . . . . 2.6000000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.593 3.491 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 0 N19-C1'-C2' 108.952 -3.28 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.53 1 N19-C1'-C2' 107.604 -4.122 . . . . 2.7200000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 1 P-O3'-C3' 125.124 4.52 . . . . 5.3899999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.835 2 O4'-C1'-N19 112.152 5.44 . . . . 5.9900000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 1 O4'-C1'-N19 114.775 8.719 . . . . 6.2000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 1 O4'-C4'-C3' 109.917 4.317 . . . . 4.5199999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.217 0 P-O3'-C3' 124.133 3.694 . . . . 4.5300000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C4'-C3' 108.214 2.614 . . . . 3.7200000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 2 O4'-C1'-N19 112.784 6.23 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 1 P-O3'-C3' 124.796 4.246 . . . . 2.6000000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.929 3.912 . . . . 2.3500000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.863 0 P-O3'-C3' 123.325 3.021 . . . . 2.3500000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.952 0 O4'-C1'-N19 110.349 3.187 . . . . 3.3599999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 P-O3'-C3' 122.477 2.314 . . . . 2.7999999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 112.291 5.614 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.803 0 O4'-C1'-N19 110.578 3.473 . . . . 4.8499999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.905 0 P-O3'-C3' 124.384 3.904 . . . . 6.0700000000000003 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 119.731 -0.176 . . . . 25.34 110.693 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.12 156.52 38.55 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.316 -0.865 . . . . 22.699999999999999 111.76 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -79.9 48.25 0.94 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.565 1.546 . . . . 15.289999999999999 110.683 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -127.65 149.19 50.31 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.852 1.661 . . . . 13.890000000000001 107.415 -170.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.45 86.11 0.15 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.792 -0.923 . . . . 7.0599999999999996 110.792 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -158.06 152.32 24.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.208 -1.404 . . . . 6.9100000000000001 107.208 161.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -105.59 164.87 11.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.65 1.18 . . . . 4.3600000000000003 108.247 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 28.5 m -144.82 106.49 4.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.231 0.612 . . . . 4.46 109.671 168.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -63.76 142.16 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.694 -0.23 . . . . 3.6800000000000002 110.596 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -74.82 -90.42 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.352 -0.61 . . . . 5.5800000000000001 109.352 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -168.35 -49.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.324 1.45 . . . . 8.3499999999999996 107.618 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -38.23 -48.1 1.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.002 1.321 . . . . 5.2300000000000004 111.813 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.18 -66.43 0.46 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.498 0.719 . . . . 4.3300000000000001 109.817 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -39.57 10.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.728 1.211 . . . . 3.3799999999999999 111.928 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.97 -54.15 46.59 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.212 0.605 . . . . 5.9400000000000004 112.467 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.72 -32.52 57.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 119.756 -0.777 . . . . 5.2199999999999998 110.203 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.93 -52.04 46.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.75 1.22 . . . . 4.4699999999999998 110.402 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.41 -52.91 33.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.274 0.63 . . . . 4.1900000000000004 110.448 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -52.24 -52.97 49.36 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.624 0.37 . . . . 6.3300000000000001 111.476 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.33 -41.58 93.86 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.381 -0.825 . . . . 4.6900000000000004 110.507 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.09 -44.15 87.44 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.913 0.338 . . . . 2.54 111.913 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.23 -42.99 87.52 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.808 -0.558 . . . . 6.3899999999999997 110.484 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.47 -75.7 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.882 0.372 . . . . 4.8899999999999997 111.107 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.24 74.31 9.23 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.102 0.961 . . . . 4.2000000000000002 110.051 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -52.7 -51.1 61.78 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.73 -0.606 . . . . 4.9299999999999997 110.282 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -85.33 127.8 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.66 -1.608 . . . . 4.5700000000000003 106.66 159.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 23.4 tp -105.33 108.18 19.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 106.374 -1.713 . . . . 3.3199999999999998 106.374 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -62.52 145.01 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.359 -0.978 . . . . 3.8599999999999999 108.359 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -48.77 -51.51 28.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.281 1.032 . . . . 6.5999999999999996 112.855 -167.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -59.53 -48.07 83.09 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.154 -0.684 . . . . 9.3800000000000008 109.154 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -54.54 -40.9 69.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.005 0.366 . . . . 4.3499999999999996 110.367 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm105 -57.39 -47.31 82.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 121.009 -1.057 . . . . 4.2300000000000004 111.362 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -54.95 -45.11 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.747 -0.464 . . . . 4.5 109.747 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.12 -54.93 41.19 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.5 -0.75 . . . . 5.2699999999999996 111.507 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.59 -57.81 5.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 125.11 1.364 . . . . 2.8999999999999999 109.19 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.86 -56.26 7.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.719 -1.128 . . . . 2.98 109.112 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.7 -40.77 96.22 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.261 -0.274 . . . . 3.4399999999999999 110.519 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.42 72.83 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.187 0.595 . . . . 3.3300000000000001 111.045 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 62.6 mt -83.85 -3.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.556 0.343 . . . . 3.8700000000000001 111.158 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m 62.53 51.29 3.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.016 1.326 . . . . 3.46 110.872 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.61 -175.84 3.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 128.182 2.593 . . . . 2.7400000000000002 107.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.5 p -102.94 153.47 20.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.786 0.803 . . . . 3.6600000000000001 111.681 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.86 -48.22 67.24 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.371 -0.974 . . . . 4.5999999999999996 108.371 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -56.97 -57.18 13.65 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.697 -0.229 . . . . 4.7000000000000002 110.776 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -53.11 -46.04 68.55 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.336 -0.853 . . . . 2.96 111.042 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 110.194 -0.298 . . . . 2.79 110.194 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -48.99 -56.11 9.92 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.746 -0.835 . . . . 3.4300000000000002 108.746 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mm -59.97 -40.16 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.066 0.546 . . . . 2.25 111.571 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -64.5 -49.67 70.42 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.927 -1.108 . . . . 2.3500000000000001 109.107 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -58.41 -50.7 72.75 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.068 -0.716 . . . . 2.4300000000000002 109.068 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.02 -58.24 6.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.073 1.349 . . . . 4.7400000000000002 108.136 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.18 -63.87 0.98 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.419 -0.585 . . . . 4.25 109.419 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -56.84 -38.51 72.77 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.979 -0.451 . . . . 4.9500000000000002 110.554 -173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -54.9 -44.47 74.19 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 120.711 -1.243 . . . . 4.75 113.292 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -59.06 6.03 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 107.342 -1.355 . . . . 2.5499999999999998 107.342 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -53.75 -42.27 68.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.958 0.885 . . . . 5.75 111.561 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -49.02 -37.94 22.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.969 2.108 . . . . 3.6899999999999999 112.604 -175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -50.62 -61.5 2.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.76 0.709 . . . . 6.8300000000000001 111.132 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -58.64 -53.94 52.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.847 0.859 . . . . 8.1699999999999999 109.592 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -78.67 -15.02 58.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.854 1.057 . . . . 4.3600000000000003 113.854 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -112.3 73.81 0.83 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.238 -1.393 . . . . 6.1200000000000001 107.238 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -50.98 -51.12 55.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.557 -1.275 . . . . 12.66 107.557 170.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -147.13 -163.88 1.87 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.686 1.994 . . . . 12.26 106.263 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -116.28 145.64 43.01 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.977 -1.86 . . . . 16.969999999999999 105.977 166.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.22 -67.96 1.93 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 123.774 0.702 . . . . 14.470000000000001 112.3 -159.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.82 132.85 72.91 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-O 118.212 -0.899 . . . . 18.370000000000001 108.633 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -60.43 126.44 19.99 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.86 2.374 . . . . 20.75 109.434 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 108.081 -2.007 . . . . 22.300000000000001 108.081 -176.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.015 4.019 . . . . 4.6600000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 P-O3'-C3' 123.764 3.387 . . . . 3.98 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.243 0 P-O3'-C3' 124.474 3.978 . . . . 5.1900000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.934 1 O4'-C1'-N19 111.11 4.138 . . . . 4.6299999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 2 C4'-C3'-C2' 97.458 -5.742 . . . . 3.1099999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.306 0 O5'-C5'-C4' 114.804 3.289 . . . . 2.5899999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 O5'-C5'-C4' 115.347 3.676 . . . . 2.4100000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.924 0 P-O3'-C3' 123.778 3.399 . . . . 1.9199999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 2 O4'-C1'-N19 111.842 5.052 . . . . 2.3900000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 P-O3'-C3' 124.534 4.029 . . . . 3.0699999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C4'-C3' 108.229 2.629 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.117 0 P-O3'-C3' 124.107 3.672 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 2 P-O3'-C3' 124.903 4.336 . . . . 2.6800000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.671 0 O4'-C1'-N19 110.514 3.392 . . . . 4.3399999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 2 O4'-C1'-N19 113.474 7.093 . . . . 5.7800000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.532 1 O4'-C1'-N19 111.19 4.238 . . . . 4.4500000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.362 1 O4'-C1'-N19 111.636 4.796 . . . . 3.2000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 1 C4'-C3'-C2' 98.57 -4.63 . . . . 2.6499999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.182 0 O5'-C5'-C4' 113.871 2.622 . . . . 2.9700000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.545 2 O4'-C1'-N19 112.484 5.855 . . . . 2.9500000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 1 P-O3'-C3' 126.039 5.282 . . . . 2.0600000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 O4'-C1'-N19 110.543 3.428 . . . . 3.8300000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 P-O3'-C3' 125.035 4.445 . . . . 1.9099999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.223 0 P-O3'-C3' 123.44 3.117 . . . . 3.23 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.939 5.173 . . . . 3.5899999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.928 3.91 . . . . 2.8399999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 O4'-C1'-C2' 102.091 -3.644 . . . . 3.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O5'-C5'-C4' 114.466 3.047 . . . . 5.2400000000000002 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.703 0.287 . . . . 15.77 110.386 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -67.71 -24.96 65.45 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 114.447 1.277 . . . . 20.800000000000001 114.447 -172.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -75.18 161.23 29.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.543 0.737 . . . . 13.35 110.579 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.77 177.0 3.81 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.482 0.713 . . . . 8.3800000000000008 109.363 165.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.0 99.01 0.18 Allowed Glycine 0 C--N 1.331 0.267 0 O-C-N 121.303 -0.873 . . . . 6.29 111.784 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -70.63 172.65 8.27 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.689 -0.486 . . . . 7.4199999999999999 109.689 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.02 92.73 3.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.836 -1.172 . . . . 4.5599999999999996 107.836 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 118.0 12.32 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.087 -1.079 . . . . 6.7199999999999998 108.087 175.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -78.76 128.46 33.44 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.726 -0.609 . . . . 4.5599999999999996 109.673 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -66.17 141.75 57.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.43 -1.322 . . . . 5.71 107.43 156.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -49.03 -36.74 18.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.112 0.965 . . . . 10.869999999999999 111.899 -175.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -43.38 -42.52 4.68 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.82 1.044 . . . . 5.1600000000000001 113.82 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.08 -57.29 5.13 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.048 -1.093 . . . . 4.21 108.048 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -51.96 -36.17 48.62 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.207 1.403 . . . . 3.6899999999999999 113.08 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -47.09 35.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.273 1.829 . . . . 5.6600000000000001 111.762 -169.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.73 -61.5 1.91 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.755 1.264 . . . . 4.4800000000000004 109.334 171.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.89 -33.08 75.01 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 112.638 -2.074 . . . . 3.0699999999999998 110.023 -162.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.87 -49.91 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.483 0.583 . . . . 4.4500000000000002 110.588 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.75 -46.4 82.34 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.524 -0.547 . . . . 6.7800000000000002 109.524 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.17 -43.68 70.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.258 -0.401 . . . . 4.2999999999999998 110.147 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.6 -39.95 95.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.433 0.56 . . . . 3.54 111.061 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -58.29 -34.97 71.12 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.357 -0.839 . . . . 5.6100000000000003 110.119 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -46.86 23.84 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.467 0.707 . . . . 7.0 112.842 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.58 179.3 7.91 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 124.76 1.224 . . . . 4.4500000000000002 110.051 -161.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.67 -54.76 2.58 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.876 0.871 . . . . 5.7999999999999998 111.494 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -128.6 1.96 5.54 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.419 1.266 . . . . 5.79 114.419 -164.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.22 177.35 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 125.492 1.517 . . . . 4.1200000000000001 112.177 174.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.7 m -97.59 145.86 25.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.75 -1.574 . . . . 4.5199999999999996 106.75 159.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -42.05 -52.57 4.2 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.543 1.537 . . . . 6.1900000000000004 110.955 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -42.16 -64.62 0.56 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.892 0.877 . . . . 7.5199999999999996 111.683 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -59.07 -37.34 76.84 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 121.23 -0.919 . . . . 4.9400000000000004 111.128 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -55.03 -45.68 75.21 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.39 0.996 . . . . 5.8200000000000003 110.374 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.68 -51.04 77.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.341 -0.614 . . . . 3.9900000000000002 109.341 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.72 -43.41 98.9 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.417 -0.802 . . . . 5.0300000000000002 111.483 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.43 -58.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.276 1.43 . . . . 4.0800000000000001 109.206 166.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.15 -52.0 22.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.337 0.655 . . . . 2.0600000000000001 111.625 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -68.32 -44.13 76.04 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.631 0.651 . . . . 2.6299999999999999 111.569 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.44 -53.97 52.11 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.818 0.847 . . . . 2.9399999999999999 110.178 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.47 -25.12 62.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.136 0.574 . . . . 3.0800000000000001 111.034 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 12.2 m 65.47 63.25 0.64 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.25 1.42 . . . . 2.1400000000000001 109.154 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 75.7 mt -130.7 164.51 24.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.495 2.318 . . . . 1.8500000000000001 106.209 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -76.75 153.3 35.14 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.69 0.757 . . . . 2.2999999999999998 110.656 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.67 -42.1 92.14 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.489 -0.757 . . . . 4.1600000000000001 109.066 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -36.82 -71.57 0.07 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.091 1.356 . . . . 4.1100000000000003 109.251 163.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -50.35 -50.3 51.62 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.546 0.738 . . . . 2.4500000000000002 112.091 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.05 -49.88 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 119.579 1.082 . . . . 1.6000000000000001 109.83 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -49.59 -57.82 6.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.058 0.943 . . . . 3.1800000000000002 109.1 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mm -51.41 -46.62 35.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 125.017 1.327 . . . . 1.6200000000000001 112.849 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -55.39 -52.43 63.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.929 -0.767 . . . . 2.3500000000000001 108.929 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -67.78 -42.7 81.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.067 0.547 . . . . 3.1200000000000001 110.759 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -46.02 -58.82 3.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.572 0.701 . . . . 4.6100000000000003 109.841 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -71.02 -43.47 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.134 -0.691 . . . . 4.7699999999999996 109.134 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -54.09 -47.62 71.56 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.1 -0.333 . . . . 4.3200000000000003 110.1 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -52.31 -58.8 5.54 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.023 -1.048 . . . . 5.5800000000000001 110.672 171.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 34.9 mmt -50.54 -47.53 57.61 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.56 0.695 . . . . 2.2799999999999998 111.027 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -67.2 -47.0 72.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.38 0.672 . . . . 4.7000000000000002 109.795 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.18 -36.24 60.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 125.942 1.697 . . . . 3.0899999999999999 111.437 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.01 -60.99 2.59 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.179 0.992 . . . . 6.8099999999999996 110.621 -176.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -57.3 -53.46 57.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.97 0.908 . . . . 9.5800000000000001 109.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -61.75 -61.2 2.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.69 0.757 . . . . 5.8799999999999999 112.984 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -95.05 37.67 1.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.563 -0.744 . . . . 5.5499999999999998 112.375 -127.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm 23.31 74.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.05 2.54 . . . . 9.0099999999999998 111.944 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.9 t -141.59 131.48 24.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.181 -1.044 . . . . 12.0 108.181 -174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -135.12 150.29 50.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.139 -1.8 . . . . 20.510000000000002 106.139 166.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.18 168.98 21.21 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 107.609 -2.196 . . . . 18.850000000000001 107.609 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -164.52 81.37 1.31 Allowed Pre-proline 0 C--O 1.237 0.437 0 N-CA-C 108.073 -1.084 . . . . 24.670000000000002 108.073 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -55.67 132.64 53.33 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 N-CA-C 106.628 -2.105 . . . . 24.399999999999999 106.628 153.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.37 0 CA-C-O 118.399 -1.223 . . . . 27.52 110.881 177.334 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 113.767 7.459 . . . . 5.54 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.071 2.838 . . . . 4.6699999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.726 2 O4'-C1'-N19 112.406 5.757 . . . . 3.96 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.549 1 O4'-C1'-N19 111.89 5.113 . . . . 3.75 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.216 0 O4'-C1'-N19 110.503 3.379 . . . . 2.6299999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 110.629 3.536 . . . . 3.6400000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O3'-C3' 123.497 3.164 . . . . 1.79 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 P-O3'-C3' 124.046 3.621 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.533 4.667 . . . . 2.1299999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 P-O3'-C3' 122.848 2.624 . . . . 1.75 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 112.516 5.895 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 0 P-O3'-C3' 124.097 3.664 . . . . 2.3599999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.365 0 N19-C1'-C2' 108.957 -3.277 . . . . 2.8199999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 0 P-O3'-C3' 123.222 2.935 . . . . 4.4699999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 1 O4'-C1'-N19 113.807 7.509 . . . . 6.1299999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 1 C4'-C3'-C2' 99.027 -4.173 . . . . 4.9500000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.05 1 O4'-C1'-N19 111.055 4.068 . . . . 2.8500000000000001 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 122.527 2.356 . . . . 2.29 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.359 0 P-O3'-C3' 123.625 3.271 . . . . 2.5800000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.911 2 O4'-C1'-N19 114.857 8.821 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.319 1 O4'-C1'-N19 112.947 6.434 . . . . 2.3300000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 N19-C1'-C2' 108.924 -3.297 . . . . 1.98 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 P-O3'-C3' 123.323 3.019 . . . . 1.79 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.77 0 O4'-C1'-N19 110.872 3.84 . . . . 2.54 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-C2' 101.82 -3.891 . . . . 2.5 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 1 O4'-C1'-N19 112.32 5.65 . . . . 2.5499999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 1 O4'-C1'-N19 111.047 4.059 . . . . 3.1000000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.782 0 O4'-C1'-N19 110.473 3.341 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 2.4 ppp? . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 119.752 -0.166 . . . . 17.140000000000001 111.188 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -66.78 129.06 38.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.285 -1.005 . . . . 20.280000000000001 108.285 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -77.1 160.64 28.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.135 -0.484 . . . . 14.76 111.196 -156.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -50.03 131.01 22.95 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 106.889 -1.523 . . . . 8.8399999999999999 106.889 163.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.24 88.98 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.887 -2.085 . . . . 7.4100000000000001 107.887 -157.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -63.8 151.29 42.62 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.908 0.883 . . . . 6.2199999999999998 110.769 -171.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.71 57.47 2.21 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 128.835 2.854 . . . . 10.470000000000001 112.856 170.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -73.13 -27.58 61.76 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.444 -0.785 . . . . 6.2000000000000002 111.782 169.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -33.09 135.21 0.1 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.741 2.416 . . . . 4.04 113.087 -161.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 150.27 42.98 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.739 0.816 . . . . 5.4299999999999997 108.854 175.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -54.24 -42.91 70.4 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.285 -0.26 . . . . 7.0099999999999998 111.242 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -39.86 -45.99 1.91 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.895 2.078 . . . . 5.0 112.367 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.94 -54.94 11.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.878 -0.786 . . . . 3.73 108.878 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -45.97 61.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.967 0.413 . . . . 4.3399999999999999 110.824 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.05 -47.32 74.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 118.338 -0.839 . . . . 4.1500000000000004 113.134 -170.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.74 -27.5 50.49 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.082 -1.047 . . . . 4.3799999999999999 111.047 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.01 -44.97 90.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 118.59 0.632 . . . . 2.7200000000000002 109.935 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -56.66 -30.96 63.92 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.892 -0.505 . . . . 3.0099999999999998 111.628 170.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -76.44 -47.9 21.51 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.958 1.303 . . . . 6.3200000000000003 110.205 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -52.89 -63.08 1.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.008 -1.479 . . . . 3.52 107.008 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -80.5 63.14 4.84 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 123.103 1.43 . . . . 3.0099999999999998 110.702 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -168.13 -49.32 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 127.339 2.256 . . . . 5.4500000000000002 105.332 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.09 -57.63 12.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.499 -0.556 . . . . 5.0800000000000001 109.499 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 179.81 6.11 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.734 1.614 . . . . 3.0299999999999998 110.454 -170.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -139.51 -54.54 0.56 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 123.234 0.614 . . . . 6.0800000000000001 112.179 -174.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -96.03 122.31 38.71 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.629 -0.878 . . . . 4.71 108.629 -167.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.02 132.67 46.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.512 0.725 . . . . 3.1400000000000001 109.87 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -65.71 153.26 42.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.139 -1.43 . . . . 4.9900000000000002 107.139 165.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.62 -46.39 77.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.466 1.03 . . . . 5.8499999999999996 109.836 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -65.93 9.68 0.13 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.494 1.118 . . . . 7.0300000000000002 113.829 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -116.24 -49.42 2.68 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 119.964 -1.71 . . . . 5.0899999999999999 108.41 158.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.12 -44.87 3.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.351 2.26 . . . . 6.4299999999999997 111.62 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.04 -64.76 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.352 1.061 . . . . 3.1499999999999999 108.648 170.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -49.25 -42.23 40.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.468 1.507 . . . . 4.9400000000000004 113.566 -166.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.84 -55.11 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 124.389 1.056 . . . . 3.71 108.789 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.56 83.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.097 0.559 . . . . 1.8999999999999999 111.703 -170.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -62.2 -50.41 71.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.787 -0.82 . . . . 2.8100000000000001 108.787 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.44 -55.47 31.32 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.76 0.824 . . . . 2.6899999999999999 111.194 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.38 -43.65 93.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.099 -0.704 . . . . 4.3300000000000001 109.099 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m 72.49 45.06 0.37 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.381 1.872 . . . . 2.71 111.086 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.43 -120.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 105.118 -2.178 . . . . 3.2000000000000002 105.118 152.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -146.13 164.24 32.82 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.587 1.085 . . . . 3.6499999999999999 109.392 166.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.28 80.44 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.502 0.721 . . . . 4.0899999999999999 110.155 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -52.23 -55.59 20.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.089 0.471 . . . . 4.5199999999999996 109.772 173.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.36 -37.87 82.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.512 -0.743 . . . . 2.8399999999999999 111.636 -169.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.96 -51.57 68.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.093 0.86 . . . . 2.4900000000000002 110.308 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -45.31 -57.29 4.11 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 108.565 -0.902 . . . . 3.0899999999999999 108.565 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.8 -41.89 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.388 -0.824 . . . . 1.27 111.527 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -59.56 -49.73 76.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.663 1.119 . . . . 1.6799999999999999 109.251 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -61.89 -52.42 64.19 Favored 'General case' 0 C--N 1.334 -0.081 0 O-C-N 121.781 -0.574 . . . . 5.0 109.539 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -46.97 -63.59 1.0 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.152 1.381 . . . . 4.6799999999999997 108.886 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -56.87 -58.99 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.425 1.09 . . . . 4.3499999999999996 110.515 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.09 -47.92 74.28 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.051 -0.352 . . . . 5.0700000000000003 110.051 -173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -68.13 -45.5 73.43 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.08 -0.387 . . . . 4.5499999999999998 110.797 -176.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -39.69 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.228 -0.92 . . . . 3.6699999999999999 110.36 -175.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -71.18 -40.18 71.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.218 1.007 . . . . 6.2000000000000002 109.404 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.28 156.22 0.87 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 125.602 2.62 . . . . 3.5600000000000001 109.509 166.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm 152.4 -121.56 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.857 2 C-N-CA 138.787 6.835 . . . . 6.1799999999999997 103.343 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.44 -46.61 86.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.973 0.892 . . . . 11.630000000000001 109.247 -170.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -27.67 65.48 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 121.228 -0.92 . . . . 6.3799999999999999 111.62 -170.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -97.4 1.9 49.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.496 1.044 . . . . 8.0 111.141 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -66.81 -63.76 1.0 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.04 -1.037 . . . . 9.9100000000000001 108.715 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 78.9 p 60.98 -98.91 0.09 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.305 1.842 . . . . 10.09 113.774 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.59 -63.64 1.23 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.868 0.467 . . . . 16.559999999999999 111.814 -158.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.37 106.55 1.38 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.044 -1.623 . . . . 13.539999999999999 109.044 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -137.97 76.02 40.63 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 123.895 0.878 . . . . 16.16 110.241 -172.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.31 -144.57 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.52 2.813 . . . . 18.859999999999999 107.307 162.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 110.104 -1.199 . . . . 20.129999999999999 110.104 169.51 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.927 1 O4'-C1'-N19 111.96 5.201 . . . . 4.0599999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C4'-C3' 108.572 2.972 . . . . 3.73 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 1 O4'-C1'-N19 111.522 4.652 . . . . 4.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 2 O4'-C1'-N19 113.846 7.558 . . . . 4.4100000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.866 0 O4'-C1'-N19 110.629 3.537 . . . . 2.1899999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 112.183 5.478 . . . . 2.6699999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 0 C4'-C3'-C2' 99.303 -3.897 . . . . 1.4299999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 O4'-C4'-C3' 109.195 3.595 . . . . 1.3799999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.961 5.201 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 P-O3'-C3' 124.156 3.713 . . . . 1.9399999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.121 4.151 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 1 O4'-C1'-N19 111.5 4.625 . . . . 2.8399999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 0 P-O3'-C3' 124.246 3.788 . . . . 3.8199999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 2 C4'-C3'-C2' 98.423 -4.777 . . . . 5.2800000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 116.087 10.358 . . . . 7.9299999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.494 0 C4'-C3'-C2' 100.172 -3.028 . . . . 4.9100000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 112.713 6.142 . . . . 3.1499999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.13 1 O4'-C1'-N19 113.049 6.562 . . . . 2.8500000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.2 1 O5'-C5'-C4' 116.906 4.79 . . . . 2.2200000000000002 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 3 O4'-C1'-N19 113.908 7.635 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 112.257 5.571 . . . . 2.6299999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.325 0 O4'-C1'-C2' 102.543 -3.234 . . . . 1.9399999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 P-O3'-C3' 124.52 4.017 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 P-O3'-C3' 123.45 3.125 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.017 2.772 . . . . 2.6600000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 112.938 6.422 . . . . 2.3599999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 1 O4'-C1'-N19 111.272 4.339 . . . . 3.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.005 0 O4'-C1'-N19 110.634 3.543 . . . . 4.3600000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 107.944 -1.132 . . . . 17.780000000000001 107.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -44.2 139.56 2.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.955 1.702 . . . . 16.829999999999998 113.199 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.48 -149.91 0.45 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.905 2.082 . . . . 15.31 107.143 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -65.86 171.66 4.21 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.413 -0.804 . . . . 9.2100000000000009 109.986 161.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.04 88.93 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 109.833 -1.307 . . . . 5.6399999999999997 109.833 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -59.14 144.14 46.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 5.8700000000000001 109.832 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -116.02 175.51 5.51 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 127.034 2.134 . . . . 4.54 106.27 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 12.6 m -140.23 98.81 3.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 105.597 -2.001 . . . . 4.5700000000000003 105.597 170.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.84 122.9 11.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 122.282 1.039 . . . . 3.3500000000000001 111.956 -166.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.66 158.05 28.38 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.047 1.739 . . . . 3.3799999999999999 110.005 174.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -48.97 -53.7 18.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.558 0.743 . . . . 7.0999999999999996 110.609 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -40.93 -51.6 3.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.353 1.061 . . . . 4.0700000000000003 111.971 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.24 -42.0 76.22 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.246 0.618 . . . . 3.8700000000000001 110.515 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -63.62 -36.57 84.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.603 -0.686 . . . . 2.71 111.454 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -56.34 15.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.907 0.883 . . . . 5.9500000000000002 111.053 -158.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.75 -33.96 76.81 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 118.835 -1.146 . . . . 3.6000000000000001 110.713 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.15 -38.02 89.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.639 1.176 . . . . 2.6600000000000001 111.601 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.84 -47.85 64.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.986 0.812 . . . . 3.3399999999999999 110.364 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -67.71 -41.79 83.01 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.853 -0.594 . . . . 4.6100000000000003 110.284 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.18 -61.24 2.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 118.485 0.584 . . . . 3.2799999999999998 109.779 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -48.73 -53.26 19.64 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.96 0.904 . . . . 2.96 111.578 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.15 -47.91 81.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.337 -0.847 . . . . 4.9299999999999997 110.067 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.44 -47.86 68.94 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.824 0.821 . . . . 5.54 111.469 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 105.62 2.43 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.775 1.63 . . . . 3.0099999999999998 110.944 -163.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 ttp-105 -72.3 -53.87 11.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.143 0.977 . . . . 6.1299999999999999 109.556 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -65.19 132.27 48.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.101 -1.814 . . . . 4.9900000000000002 106.101 162.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.23 -92.76 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.393 -1.706 . . . . 4.9000000000000004 106.393 170.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . 0.252 1.8 t -170.45 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.09 -1.007 . . . . 4.9100000000000001 108.474 163.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -141.68 -75.35 0.3 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.709 -1.219 . . . . 9.7799999999999994 107.709 162.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -79.79 59.39 3.1 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.86 -1.15 . . . . 8.5099999999999998 110.087 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 27.2 mmm-85 -123.31 -47.7 1.99 Allowed 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.106 -1.442 . . . . 4.3799999999999999 107.106 152.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -45.51 25.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.82 1.191 . . . . 6.7400000000000002 113.313 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.5 -56.12 18.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 107.54 -1.281 . . . . 3.5299999999999998 107.54 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.75 -42.45 79.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.262 1.425 . . . . 4.2699999999999996 110.541 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.27 -50.7 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 119.379 0.991 . . . . 3.6699999999999999 109.967 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.16 84.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.74 -0.664 . . . . 2.6499999999999999 110.056 -172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.73 -56.1 6.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.563 0.745 . . . . 3.48 109.017 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.7 -65.3 0.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.909 1.684 . . . . 2.6400000000000001 109.821 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.06 -18.77 63.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.842 -0.599 . . . . 3.2200000000000002 111.745 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 57.38 55.59 5.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.943 0.792 . . . . 2.5899999999999999 108.917 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -127.89 159.68 34.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 104.971 -2.233 . . . . 1.96 104.971 171.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -68.36 152.09 45.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.671 0.748 . . . . 3.1299999999999999 109.81 -171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -45.26 65.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.548 -0.72 . . . . 5.5899999999999999 109.654 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -46.42 -66.76 0.36 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.536 1.135 . . . . 4.6799999999999997 109.957 168.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -49.86 -44.36 49.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.662 0.385 . . . . 2.5 111.372 -173.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.55 -55.94 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.405 0.548 . . . . 2.3999999999999999 110.24 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -50.68 -54.45 22.98 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.128 -0.693 . . . . 4.2699999999999996 109.128 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -53.59 -41.09 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.266 0.626 . . . . 1.3500000000000001 111.235 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -60.35 -54.06 50.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.443 1.02 . . . . 1.6499999999999999 110.606 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -59.38 -48.88 79.94 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.428 -0.795 . . . . 1.8700000000000001 110.0 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.91 -47.16 77.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.997 0.919 . . . . 6.2800000000000002 110.505 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.14 -55.78 24.44 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.518 -0.919 . . . . 3.6699999999999999 108.518 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.96 -36.65 68.06 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 119.006 -0.521 . . . . 3.9700000000000002 111.967 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.95 -53.48 56.35 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.548 1.067 . . . . 5.5700000000000003 110.562 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -58.57 -37.03 74.88 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.028 0.751 . . . . 2.48 113.028 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -68.83 -47.06 66.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.319 1.057 . . . . 6.1399999999999997 109.344 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -65.3 -173.51 0.14 Allowed 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 106.532 -1.655 . . . . 3.1899999999999999 106.532 169.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 60.24 -70.48 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 127.515 2.326 . . . . 5.6100000000000003 108.391 -158.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.94 -61.46 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.567 1.147 . . . . 8.0800000000000001 109.667 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -86.42 41.77 0.96 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.685 -0.634 . . . . 4.3799999999999999 110.921 176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -130.97 72.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.878 -0.514 . . . . 5.7999999999999998 110.172 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -69.18 -65.37 0.72 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.767 -1.198 . . . . 9.4700000000000006 107.767 167.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 48.88 38.58 12.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.568 1.147 . . . . 10.57 111.69 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -139.54 -177.93 5.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.775 -2.306 . . . . 14.630000000000001 104.775 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.45 48.0 5.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 107.774 -2.131 . . . . 15.09 107.774 -157.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.99 159.03 41.19 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 127.454 2.302 . . . . 18.100000000000001 107.027 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.93 -35.54 89.68 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.323 2.015 . . . . 22.25 112.603 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.479 0 N-CA-C 107.687 -2.165 . . . . 21.850000000000001 107.687 175.264 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.007 1 O4'-C1'-N19 111.391 4.488 . . . . 4.9199999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 P-O3'-C3' 123.798 3.415 . . . . 4.3799999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.674 0 C1'-O4'-C4' 104.614 -3.633 . . . . 5.0499999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.028 0 O4'-C1'-N19 110.361 3.202 . . . . 3.6099999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.792 3.74 . . . . 2.73 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.058 0 O4'-C1'-N19 110.781 3.726 . . . . 2.4100000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 C3'-C2'-C1' 106.278 2.556 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 0 P-O3'-C3' 123.71 3.342 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 P-O3'-C3' 123.837 3.447 . . . . 2.7999999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O4'-C1'-C2' 102.68 -3.109 . . . . 2.1299999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.387 1 O4'-C1'-N19 113.566 7.208 . . . . 3.5299999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C4'-C3' 108.647 3.047 . . . . 3.6200000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 N19-C1'-C2' 109.181 -3.137 . . . . 2.1200000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 C4'-C3'-C2' 100.124 -3.076 . . . . 3.1499999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 1 O4'-C1'-N19 112.971 6.464 . . . . 4.7000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.214 1 O4'-C1'-N19 112.815 6.269 . . . . 3.7400000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 1 O4'-C1'-N19 111.132 4.165 . . . . 3.52 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 2 O4'-C1'-N19 112.747 6.184 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 1 O4'-C1'-N19 111.678 4.848 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.775 1 O4'-C1'-N19 111.405 4.506 . . . . 2.5699999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 0 P-O3'-C3' 123.402 3.085 . . . . 1.8999999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 O4'-C4'-C3' 108.636 3.036 . . . . 2.0699999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.67 0 P-O3'-C3' 123.919 3.515 . . . . 2.6099999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 O4'-C1'-N19 110.064 2.83 . . . . 3.3799999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.178 0 O3'-P-O5' 110.313 3.323 . . . . 3.04 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C1'-N19 113.39 6.988 . . . . 3.4300000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.603 3.503 . . . . 4.0199999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 C1'-O4'-C4' 105.302 -3.141 . . . . 4.0300000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 80.4 mmm . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 108.149 -1.056 . . . . 19.559999999999999 108.149 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -84.05 141.02 31.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.176 1.39 . . . . 15.18 109.387 -176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -83.29 -179.64 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.852 0.861 . . . . 13.369999999999999 110.599 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -54.74 169.97 0.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.56 1.944 . . . . 7.0300000000000002 112.322 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -33.34 -85.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 127.205 2.335 . . . . 6.7699999999999996 116.238 -167.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . 0.265 1.7 ttt85 24.58 117.29 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.974 3.31 . . . . 7.0300000000000002 117.16 -161.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -99.08 164.21 12.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.656 2.382 . . . . 4.8700000000000001 106.976 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -143.34 144.28 32.01 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.919 -0.771 . . . . 6.4299999999999997 108.919 148.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.56 115.75 26.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.907 -0.496 . . . . 4.29 111.847 -163.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 63.0 p -56.28 155.98 6.26 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 109.585 -0.524 . . . . 5.0800000000000001 109.585 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -49.94 -50.61 45.98 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.956 -0.387 . . . . 8.6899999999999995 109.956 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.48 -51.32 36.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.723 -0.611 . . . . 5.5300000000000002 110.536 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -82.2 42.86 0.76 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.683 -0.636 . . . . 4.21 111.132 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -146.72 -55.05 0.25 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 4.7699999999999996 105.945 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -40.88 -43.69 2.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.969 2.108 . . . . 5.0499999999999998 115.166 -172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.64 -35.67 14.08 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 119.073 0.851 . . . . 5.3200000000000003 112.076 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.28 -33.78 63.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.923 0.889 . . . . 3.6800000000000002 110.06 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.3 -60.16 2.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 4.8200000000000003 111.601 169.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -66.79 -36.69 83.0 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 119.434 -0.317 . . . . 8.7200000000000006 111.287 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -58.3 -54.03 51.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 120.425 -0.51 . . . . 4.9299999999999997 110.458 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.02 -44.92 61.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.271 0.487 . . . . 3.8100000000000001 109.756 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -57.15 -58.26 8.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.374 -0.346 . . . . 7.4500000000000002 111.005 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.22 -57.05 10.6 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.895 0.771 . . . . 8.4900000000000002 111.231 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 112.0 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.895 1.678 . . . . 4.8600000000000003 111.048 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -71.28 -51.09 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.143 -1.058 . . . . 7.7999999999999998 108.143 160.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.88 78.22 4.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.301 -0.629 . . . . 5.25 109.301 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.35 125.93 25.54 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.668 -1.234 . . . . 4.3300000000000001 107.668 162.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 145.24 20.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.872 -1.159 . . . . 6.3399999999999999 107.872 161.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -44.96 -64.16 0.77 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.554 0.742 . . . . 7.3899999999999997 110.064 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -83.61 42.55 0.85 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.981 -1.075 . . . . 8.7400000000000002 112.043 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -114.47 -52.82 2.7 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 106.23 -1.767 . . . . 10.19 106.23 146.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -50.83 -41.73 57.89 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.688 1.195 . . . . 6.0 111.971 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.64 -48.57 86.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 120.901 -1.125 . . . . 4.8600000000000003 109.835 172.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.9 -36.78 75.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.612 1.165 . . . . 6.0199999999999996 112.407 -174.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 32.6 mm -47.39 -55.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.377 0.608 . . . . 4.8399999999999999 110.014 168.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.64 65.36 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.657 1.183 . . . . 3.3700000000000001 109.824 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -57.25 -56.46 21.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.377 -0.231 . . . . 5.3499999999999996 110.377 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.47 -55.69 20.24 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.816 0.846 . . . . 4.4800000000000004 111.592 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -75.18 -17.93 60.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.186 -0.461 . . . . 4.5700000000000003 111.003 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m 59.41 60.15 2.4 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.346 1.458 . . . . 4.5 108.953 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -126.5 162.51 25.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.961 -1.866 . . . . 3.4500000000000002 105.961 171.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.76 151.99 41.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.816 -0.809 . . . . 4.1900000000000004 108.816 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -48.01 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.967 0.907 . . . . 4.9800000000000004 110.567 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -49.68 -55.61 13.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.678 -0.86 . . . . 3.7999999999999998 108.678 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -51.28 -48.29 62.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.273 0.559 . . . . 4.25 110.888 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -54.93 -49.13 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.221 0.534 . . . . 2.5899999999999999 109.714 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -48.54 77.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.727 -0.608 . . . . 4.29 110.257 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.89 -49.1 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.144 0.578 . . . . 1.5800000000000001 110.1 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -47.76 -52.32 19.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.864 0.756 . . . . 2.8900000000000001 109.352 175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -62.68 -58.81 6.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.92 -0.488 . . . . 3.9500000000000002 110.1 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -59.01 -49.65 77.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.386 0.674 . . . . 6.2999999999999998 110.05 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.95 -50.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.95 -0.759 . . . . 3.9700000000000002 108.95 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -60.28 -32.34 71.1 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.453 -0.573 . . . . 4.6399999999999997 109.453 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -50.88 63.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.371 -1.455 . . . . 5.8499999999999996 111.333 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -51.9 -44.75 63.91 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.899 0.857 . . . . 3.3599999999999999 110.566 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -57.72 -64.86 0.75 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.31 1.444 . . . . 7.04 110.626 169.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -46.71 -33.16 4.09 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 128.227 2.611 . . . . 3.71 113.381 -174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -34.88 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.679 1.191 . . . . 7.04 111.71 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -54.44 -35.34 62.87 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.886 -0.509 . . . . 8.2100000000000009 112.033 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.25 -34.04 63.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.182 0.993 . . . . 5.2300000000000004 113.584 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -129.08 46.28 2.66 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.526 0.33 . . . . 5.7400000000000002 110.837 -154.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? 70.95 92.62 0.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.712 1.605 . . . . 12.960000000000001 108.811 -172.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -43.78 -54.69 4.98 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.146 0.978 . . . . 13.859999999999999 112.736 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 38.9 63.73 0.88 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 122.942 1.354 . . . . 18.52 110.137 -166.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.43 -166.04 21.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 107.939 -2.064 . . . . 19.039999999999999 107.939 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 47.75 70.24 2.2 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.581 1.552 . . . . 22.539999999999999 111.623 -172.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -50.95 -61.87 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 123.183 2.589 . . . . 27.469999999999999 113.445 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 108.544 -1.823 . . . . 27.609999999999999 108.544 -177.87 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.536 1 O4'-C1'-N19 114.755 8.694 . . . . 5.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C4'-C3' 109.28 3.68 . . . . 4.1399999999999997 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.301 2 O4'-C1'-N19 111.385 4.482 . . . . 4.3799999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 4 O4'-C1'-N19 113.268 6.836 . . . . 4.8700000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.092 0 O4'-C1'-N19 109.749 2.437 . . . . 2.7999999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.453 1 O4'-C1'-N19 112.927 6.409 . . . . 3.0499999999999998 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 C4'-C3'-C2' 99.559 -3.641 . . . . 2.0299999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.789 0 O4'-C4'-C3' 109.165 3.565 . . . . 1.6699999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 P-O3'-C3' 124.0 3.584 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 P-O3'-C3' 124.21 3.758 . . . . 1.8899999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 112.012 5.265 . . . . 2.6099999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 N19-C1'-C2' 109.862 -2.711 . . . . 2.3100000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O5'-C5'-C4' 115.057 3.469 . . . . 2.2200000000000002 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 O4'-C4'-C3' 102.505 -3.095 . . . . 3.0499999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 114.206 8.008 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 1 O4'-C1'-N19 112.454 5.817 . . . . 3.3700000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C4'-C3' 108.095 2.495 . . . . 2.8799999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.285 2 O4'-C1'-N19 111.914 5.142 . . . . 2.46 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.757 2 O4'-C1'-N19 113.017 6.522 . . . . 2.8199999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-C2' 102.03 -3.7 . . . . 2.5299999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.604 1 P-O3'-C3' 125.921 5.184 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 N19-C1'-C2' 108.859 -3.338 . . . . 2.1400000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.874 0 O4'-C1'-C2' 102.552 -3.225 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 0 P-O3'-C3' 123.396 3.08 . . . . 3.9500000000000002 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C1'-N19 111.038 4.048 . . . . 3.1600000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O3'-P-O5' 109.401 2.843 . . . . 4.1799999999999997 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-C2' 102.84 -2.964 . . . . 5.0999999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.104 0 O4'-C1'-N19 110.756 3.695 . . . . 5.2699999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 43.2 mmm . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 109.592 -0.521 . . . . 20.800000000000001 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.8 -156.81 0.6 Allowed 'General case' 0 C--O 1.239 0.538 0 N-CA-C 105.803 -1.925 . . . . 18.969999999999999 105.803 167.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.59 82.41 1.11 Allowed 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.05 -1.031 . . . . 11.949999999999999 109.386 170.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -60.64 152.32 26.73 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.107 -1.442 . . . . 9.8800000000000008 107.107 149.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.47 65.95 0.49 Allowed Glycine 0 CA--C 1.519 0.33 0 N-CA-C 108.205 -1.958 . . . . 5.6699999999999999 108.205 -173.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -51.36 135.57 26.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.768 1.627 . . . . 6.3700000000000001 112.014 -170.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -58.5 132.38 53.56 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.971 1.708 . . . . 3.9300000000000002 106.977 167.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m -122.07 99.14 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.357 -1.349 . . . . 4.6900000000000004 107.357 168.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -62.84 149.11 45.12 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.609 -1.626 . . . . 3.96 106.609 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -79.02 -140.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.42 -0.585 . . . . 3.7200000000000002 109.42 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -100.42 -47.01 5.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 120.249 -1.532 . . . . 10.31 107.616 160.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -50.8 -52.08 44.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.51 0.724 . . . . 3.6400000000000001 111.715 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.43 -42.51 87.44 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.281 -0.637 . . . . 4.1200000000000001 109.281 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -67.2 -30.86 70.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.479 1.112 . . . . 3.1000000000000001 111.536 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -70.29 0.1 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.082 1.353 . . . . 3.8399999999999999 113.078 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.45 -28.43 69.27 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.252 -0.579 . . . . 3.8199999999999998 111.054 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.52 -38.2 88.97 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 119.091 -0.48 . . . . 2.9700000000000002 110.873 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.23 -47.3 86.7 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.61 1.096 . . . . 3.79 110.702 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -53.89 -49.8 67.77 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.57 -0.53 . . . . 5.1799999999999997 109.57 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -66.14 -62.25 1.59 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.533 1.133 . . . . 3.1800000000000002 109.042 -174.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -57.35 -40.41 77.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.77 1.168 . . . . 4.8399999999999999 112.919 -172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -68.72 -14.59 63.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.819 -1.175 . . . . 9.9000000000000004 111.545 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.34 -71.63 0.7 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.314 1.046 . . . . 6.1399999999999997 110.024 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -90.56 97.9 11.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 127.442 2.297 . . . . 4.3099999999999996 108.048 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.54 -56.57 5.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.133 -1.062 . . . . 7.4500000000000002 108.133 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -82.89 125.75 31.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.572 -1.27 . . . . 5.79 107.572 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -117.31 120.05 37.01 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.563 1.945 . . . . 3.3999999999999999 106.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.2 p -67.69 159.73 29.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.361 0.528 . . . . 4.0599999999999996 109.821 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -54.21 -53.15 57.44 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.33 0.652 . . . . 5.0899999999999999 109.59 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -48.68 -61.39 2.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.056 0.542 . . . . 7.2300000000000004 110.265 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -58.07 -43.83 87.17 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 118.056 0.389 . . . . 5.0899999999999999 110.17 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -55.96 -47.45 77.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.521 1.055 . . . . 5.1699999999999999 112.249 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -54.9 -49.5 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.343 -0.243 . . . . 3.1699999999999999 110.343 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -59.51 -50.19 74.86 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 118.911 -0.566 . . . . 3.6600000000000001 111.884 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.19 -57.27 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 125.775 1.63 . . . . 2.6099999999999999 108.279 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.04 -49.61 60.22 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 1.8100000000000001 111.044 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -67.98 -36.93 80.86 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.874 -0.516 . . . . 2.6000000000000001 112.293 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.09 -56.06 17.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.035 0.934 . . . . 2.3700000000000001 109.55 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.74 -18.51 60.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 118.949 -0.548 . . . . 3.1000000000000001 111.883 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m 66.02 67.12 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.154 0.981 . . . . 2.2599999999999998 109.286 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.21 168.28 19.92 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.173 2.189 . . . . 2.1800000000000002 106.269 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 21.0 p -77.55 158.87 29.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.269 0.94 . . . . 2.8599999999999999 109.51 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -55.03 -41.13 70.99 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.662 -0.866 . . . . 3.6800000000000002 108.662 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -51.35 -54.48 25.95 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.244 -0.65 . . . . 4.4500000000000002 109.244 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -54.88 -44.49 74.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.037 -0.665 . . . . 2.4100000000000001 111.153 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.99 -52.37 61.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 110.357 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -45.98 -59.57 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.495 1.518 . . . . 2.9500000000000002 108.875 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.6 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 C-N-CA 126.302 1.841 . . . . 1.52 110.975 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -54.5 -54.45 40.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.956 0.884 . . . . 1.97 109.176 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.93 -53.06 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.537 0.735 . . . . 2.27 110.174 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -48.38 -62.16 1.63 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.749 1.62 . . . . 4.7400000000000002 108.986 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -46.09 -52.7 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.114 1.766 . . . . 3.4399999999999999 110.461 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.76 -47.03 64.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 119.032 -0.508 . . . . 4.5800000000000001 111.595 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -50.72 -43.81 58.06 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.657 1.117 . . . . 5.71 113.097 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -54.66 43.45 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 107.967 -1.123 . . . . 2.3300000000000001 107.967 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -69.79 -48.78 57.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 6.5599999999999996 108.744 -170.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -41.25 -38.2 1.1 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.949 2.1 . . . . 2.8599999999999999 112.657 172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -49.95 -48.13 52.21 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.0 -0.438 . . . . 5.46 110.711 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.07 -47.65 73.58 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.665 -0.495 . . . . 7.4800000000000004 109.665 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.9 7.48 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.668 1.187 . . . . 4.5099999999999998 113.864 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -29.43 7.04 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 115.433 1.642 . . . . 5.4199999999999999 115.433 -161.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -45.9 -24.72 0.43 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.549 1.14 . . . . 10.529999999999999 112.831 173.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m 83.98 141.15 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.499 1.92 . . . . 9.9199999999999999 107.228 -175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -68.91 88.55 0.39 Allowed 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.538 -1.653 . . . . 17.870000000000001 106.538 169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.48 73.58 1.14 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 107.431 -2.268 . . . . 14.710000000000001 107.431 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -132.52 84.82 49.93 Favored Pre-proline 0 N--CA 1.447 -0.613 0 C-N-CA 126.959 2.104 . . . . 18.719999999999999 105.605 -172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.82 167.93 23.1 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.173 1.915 . . . . 22.219999999999999 110.578 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 107.5 -2.24 . . . . 25.629999999999999 107.5 -179.452 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.178 1 O4'-C1'-N19 113.206 6.757 . . . . 8.0299999999999994 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 112.271 5.589 . . . . 6.2999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 0 P-O3'-C3' 122.645 2.454 . . . . 5.2599999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.283 0 C3'-C2'-C1' 106.425 2.66 . . . . 3.6899999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.986 3.983 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O3'-P-O5' 112.361 4.401 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 0 C4'-C3'-C2' 99.663 -3.537 . . . . 1.3999999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 111.647 4.809 . . . . 1.3400000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.976 0 O4'-C1'-N19 110.996 3.996 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.685 0 O4'-C4'-C3' 108.534 2.934 . . . . 2.1000000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 112.814 6.268 . . . . 1.71 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.494 0 P-O3'-C3' 124.185 3.737 . . . . 2.5899999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.467 1 O4'-C4'-C3' 109.743 4.143 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 1 P-O3'-C3' 125.733 5.027 . . . . 3.2999999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 114.555 8.443 . . . . 4.0700000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 112.394 5.743 . . . . 3.5600000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.574 0 C4'-C3'-O3' 117.146 3.112 . . . . 3.0099999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 2 P-O3'-C3' 126.393 5.577 . . . . 2.5600000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O4'-C1'-C2' 102.789 -3.01 . . . . 2.3399999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.554 0 O4'-C1'-N19 110.77 3.712 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 P-O3'-C3' 124.904 4.337 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 P-O3'-C3' 123.274 2.978 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O5'-C5'-C4' 115.276 3.626 . . . . 2.1600000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.908 0 O4'-C1'-N19 110.354 3.193 . . . . 2.6200000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.264 1 O4'-C1'-N19 111.413 4.516 . . . . 2.73 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 2 C4'-C3'-C2' 98.606 -4.594 . . . . 5.0800000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.247 4.308 . . . . 7.0599999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 1 O4'-C1'-N19 112.341 5.676 . . . . 8.1199999999999992 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 111.198 0.074 . . . . 15.6 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.56 159.51 0.15 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.863 2.065 . . . . 15.81 111.712 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -64.92 137.0 57.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.895 0.855 . . . . 12.460000000000001 110.855 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 158.82 7.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.489 1.116 . . . . 8.4199999999999999 108.945 165.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.23 -145.02 38.61 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.748 -0.595 . . . . 7.5099999999999998 112.588 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -32.09 133.52 0.1 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 128.066 2.546 . . . . 6.5300000000000002 112.638 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -106.38 42.38 1.28 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.882 0.473 . . . . 5.8399999999999999 111.042 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m 16.2 81.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 C-N-CA 127.972 2.509 . . . . 5.4699999999999998 113.721 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -63.03 137.16 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.804 -1.554 . . . . 4.0800000000000001 106.804 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -69.13 165.45 20.31 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.179 -1.045 . . . . 3.7599999999999998 108.179 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -58.08 -51.83 68.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.124 -1.03 . . . . 10.279999999999999 108.685 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -39.47 -47.47 1.84 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.327 1.451 . . . . 5.4000000000000004 113.162 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -57.71 -64.74 0.8 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.079 0.943 . . . . 3.7999999999999998 109.813 173.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -45.73 -39.27 7.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.289 1.836 . . . . 3.0899999999999999 113.424 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.21 -54.43 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.926 0.89 . . . . 6.0999999999999996 112.265 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.5 -28.96 62.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.21 -0.596 . . . . 4.8099999999999996 110.902 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.54 -44.44 90.82 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.748 0.819 . . . . 2.8500000000000001 110.539 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -55.83 -42.82 76.3 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.925 -1.109 . . . . 3.8300000000000001 110.923 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.18 -48.37 80.52 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.46 0.475 . . . . 5.9400000000000004 109.818 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.61 -49.29 75.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.961 -1.019 . . . . 4.1399999999999997 110.703 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -52.5 -45.07 66.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.72 0.691 . . . . 3.21 110.143 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -53.96 -56.58 16.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 5.6299999999999999 109.786 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.12 -53.84 39.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 123.654 0.782 . . . . 9.6199999999999992 111.146 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.88 117.1 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.101 -1.074 . . . . 4.8799999999999999 108.101 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -69.06 -39.12 79.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.452 0.701 . . . . 6.2999999999999998 109.459 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 120.52 39.18 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.29 -0.882 . . . . 7.3200000000000003 109.326 167.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.13 161.0 26.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.598 1.159 . . . . 3.4399999999999999 108.578 164.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -91.47 160.94 15.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.651 1.98 . . . . 4.9400000000000004 108.716 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -82.9 59.92 5.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.342 -0.849 . . . . 5.3700000000000001 111.312 -170.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -143.57 -61.94 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 104.596 -2.372 . . . . 10.15 104.596 161.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -47.67 -46.09 28.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.861 1.265 . . . . 5.9299999999999997 112.114 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm105 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.378 -0.826 . . . . 5.7699999999999996 110.922 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.82 -54.72 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 108.168 -1.049 . . . . 4.2599999999999998 108.168 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -49.28 -39.41 30.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.171 0.188 . . . . 4.3099999999999996 111.158 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -68.67 -44.64 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 124.063 0.945 . . . . 4.2599999999999998 112.02 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.95 34.47 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.145 -0.347 . . . . 1.8999999999999999 110.783 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -68.41 -51.58 42.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.448 -0.311 . . . . 3.02 110.832 171.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.86 -56.79 3.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.457 1.503 . . . . 2.5499999999999998 112.277 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.96 -11.0 54.18 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.299 0.639 . . . . 3.9100000000000001 112.083 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m 65.01 43.1 3.89 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.53 1.132 . . . . 2.48 110.69 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.29 -162.6 0.94 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.767 -1.568 . . . . 2.9100000000000001 106.767 167.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.3 160.35 22.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.396 -1.705 . . . . 4.46 106.396 170.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.1 -40.69 70.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.273 -1.346 . . . . 4.6900000000000004 112.73 -173.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -49.13 -49.33 42.7 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 119.917 1.235 . . . . 4.5300000000000002 110.052 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -55.86 -51.66 66.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 118.407 0.549 . . . . 4.4900000000000002 110.593 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.93 -56.59 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.014 -1.054 . . . . 1.74 109.629 -175.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -41.75 -58.04 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.377 1.871 . . . . 3.23 109.416 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.79 -54.97 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.209 1.404 . . . . 1.8600000000000001 110.981 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -52.99 -50.38 64.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.022 -0.733 . . . . 1.8400000000000001 109.022 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -59.05 -55.77 30.82 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.636 -0.665 . . . . 2.5099999999999998 110.513 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -51.86 -59.53 4.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.493 1.139 . . . . 6.6500000000000004 109.693 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -62.05 -41.97 98.69 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.596 1.558 . . . . 4.0800000000000001 110.067 -171.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -39.36 93.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.215 0.606 . . . . 4.2300000000000004 109.901 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.01 -53.25 58.23 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.245 -0.909 . . . . 4.6399999999999997 112.063 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -35.71 -53.75 0.71 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.253 1.502 . . . . 2.1800000000000002 110.765 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -79.33 -38.45 35.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.059 -1.882 . . . . 6.8899999999999997 110.289 -165.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -55.06 112.81 1.14 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.504 -1.665 . . . . 6.0300000000000002 106.504 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 tptt 144.15 -74.52 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 1 C-N-CA 133.174 4.59 . . . . 9.5700000000000003 104.74 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.96 -67.99 0.41 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.897 0.771 . . . . 7.5700000000000003 109.442 171.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -60.12 -20.09 56.62 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.181 -0.949 . . . . 6.8700000000000001 113.105 -173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -55.13 -26.85 41.15 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.822 -0.549 . . . . 8.4399999999999995 111.994 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -40.64 -37.25 0.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.205 1.802 . . . . 16.52 114.378 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.9 -53.4 9.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.507 0.67 . . . . 14.99 109.433 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -87.95 52.28 2.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.23 1.014 . . . . 18.719999999999999 109.755 -168.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -43.01 76.26 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.656 -1.377 . . . . 14.17 109.656 172.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.48 120.77 70.81 Favored Pre-proline 0 CA--C 1.546 0.8 0 N-CA-C 108.007 -1.109 . . . . 18.460000000000001 108.007 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -57.32 -34.89 98.66 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.297 2.664 . . . . 18.629999999999999 114.109 -171.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.231 -1.548 . . . . 22.109999999999999 109.231 175.234 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 107.657 -1.238 . . . . 4.25 107.657 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -77.93 109.91 12.39 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.149 -1.426 . . . . 2.84 107.149 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.89 146.75 29.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.381 0.672 . . . . 3.37 112.408 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -24.28 -64.93 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 127.892 2.477 . . . . 8.27 113.756 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -47.93 -44.38 29.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.11 0.868 . . . . 4.2 111.885 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -62.96 -53.74 49.32 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.173 -1.417 . . . . 3.82 107.173 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -20.75 34.15 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.676 1.19 . . . . 2.35 113.923 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.31 -68.49 0.38 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.723 -1.236 . . . . 3.74 110.294 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.6 -33.33 70.93 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.026 -0.534 . . . . 3.73 110.143 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.41 -40.77 87.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 123.198 0.311 . . . . 2.1 110.566 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.79 -45.82 88.99 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.861 0.755 . . . . 3.83 110.926 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -62.57 -47.73 82.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 4.24 110.128 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -51.74 -58.42 6.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 122.001 -0.437 . . . . 3.27 109.881 169.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 34.0 t80 -48.25 -46.22 35.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.394 0.678 . . . . 3.13 111.332 -178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -52.25 -49.12 64.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.181 0.592 . . . . 4.53 110.192 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -69.81 -45.14 68.54 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.934 0.494 . . . . 5.31 112.069 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.32 98.92 1.88 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.524 1.53 . . . . 3.03 111.28 -163.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -63.65 -55.22 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.104 -1.073 . . . . 4.66 108.104 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -66.35 126.19 27.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.085 1.354 . . . . 3.66 107.988 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mp -107.55 135.12 49.54 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 105.304 -2.109 . . . . 3.06 105.304 162.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -57.36 136.19 56.57 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.976 -1.49 . . . . 4.89 106.976 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -33.42 -72.32 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.171 1.789 . . . . 7.11 113.709 -159.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -74.52 0.26 15.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.581 0.956 . . . . 11.06 113.581 -168.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.2 79.98 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.305 -1.497 . . . . 4.73 108.079 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -51.49 -43.27 62.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.935 -1.103 . . . . 4.72 110.352 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.36 -47.89 86.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 124.242 1.017 . . . . 2.85 109.501 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.09 -44.3 91.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 109.169 -0.678 . . . . 4.24 109.169 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -56.58 -52.13 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.515 -0.741 . . . . 2.41 109.632 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -43.34 61.88 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.005 0.922 . . . . 1.78 111.577 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -71.66 -50.2 32.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 119.651 -0.214 . . . . 2.5 110.78 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.43 16.23 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.267 0.84 . . . . 2.72 113.267 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 68.0 mt -106.31 -8.35 17.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.519 1.303 . . . . 2.37 114.519 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 66.51 53.93 0.92 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.173 0.897 . . . . 2.17 112.462 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 40' ' ' LEU . . . . . 0.437 ' HB2' HD11 ' P' ' 45' ' ' ILE . 17.3 mt -120.54 -172.26 2.34 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.886 2.074 . . . . 1.96 106.965 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.77 151.38 25.78 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.917 -1.114 . . . . 1.92 108.662 173.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.01 -50.8 10.5 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.885 0.874 . . . . 3.64 110.274 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -36.21 -60.62 0.55 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.318 1.847 . . . . 5.51 109.81 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.13 -32.42 73.98 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.985 0.914 . . . . 2.32 110.798 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 45' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' P' ' 40' ' ' LEU . 9.4 mm -74.34 -25.29 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.188 -0.945 . . . . 1.43 110.898 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.91 -60.22 3.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.193 -1.567 . . . . 2.5 107.111 164.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -57.98 -53.42 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 124.888 1.275 . . . . 1.04 111.696 -162.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -50.1 -46.69 53.82 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.097 0.951 . . . . 1.55 110.167 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -69.17 -47.32 65.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.773 -0.579 . . . . 1.53 110.099 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.15 -57.99 9.06 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.461 1.104 . . . . 3.68 108.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -48.39 -54.49 13.82 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.112 1.365 . . . . 4.03 112.143 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 52' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 6.2 mpt_? -53.29 -54.89 29.73 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 121.274 -0.17 . . . . 3.55 111.084 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -49.56 -55.86 11.98 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.434 1.094 . . . . 4.83 111.593 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -59.36 1.84 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.11 1.364 . . . . 2.56 110.478 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -68.87 -50.28 51.13 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.127 -0.488 . . . . 5.42 109.754 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 t90 . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 125.358 1.463 . . . . 2.73 111.8 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 106.843 -1.54 . . . . 6.6 106.843 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -48.52 148.44 2.02 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.679 1.192 . . . . 4.17 110.632 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -69.28 157.49 36.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.9 -0.5 . . . . 3.87 110.236 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -54.65 -52.43 62.34 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.465 -0.939 . . . . 7.58 108.465 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -46.11 -54.71 8.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.309 1.044 . . . . 3.61 111.697 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -59.13 -56.09 26.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.792 -0.447 . . . . 3.56 109.792 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.45 -39.16 64.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.73 0.3 . . . . 3.31 110.881 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.56 -54.59 35.27 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.31 1.044 . . . . 4.33 112.983 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.55 -30.63 33.03 Favored 'General case' 0 CA--C 1.522 -0.126 0 O-C-N 121.88 -0.513 . . . . 3.6 110.843 -175.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.85 -50.22 73.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.675 -0.491 . . . . 2.05 109.675 172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -58.5 -39.37 79.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.459 -0.776 . . . . 4.6 111.55 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -53.89 -60.65 3.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.166 -0.445 . . . . 6.57 109.915 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.77 -39.89 78.49 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.331 0.969 . . . . 3.49 110.444 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.08 -37.76 72.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.934 -0.479 . . . . 2.35 111.937 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -76.79 -50.62 13.07 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.117 0.967 . . . . 5.65 110.115 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.62 -37.92 80.13 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.56 1.544 . . . . 4.48 111.46 -167.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.9 -111.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.801 1.641 . . . . 3.81 106.667 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -161.07 -52.0 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 120.371 1.441 . . . . 4.69 109.951 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.46 9.31 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.892 0.701 . . . . 7.88 112.892 -156.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.43 150.3 0.1 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.351 1.46 . . . . 2.75 109.354 -171.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -67.87 -72.76 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.048 0.939 . . . . 4.07 109.976 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -159.43 -88.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 6.15 107.404 171.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -52.01 -32.67 34.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.804 2.093 . . . . 7.28 113.401 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -44.53 -35.96 2.76 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.381 0.992 . . . . 3.94 112.037 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -50.39 -55.1 17.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.42 1.488 . . . . 3.34 110.796 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.49 -48.78 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.067 0.947 . . . . 2.74 108.53 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.0 -39.08 93.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.624 0.37 . . . . 3.68 111.573 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -57.57 -58.75 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 125.173 1.389 . . . . 2.18 108.277 170.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.48 55.45 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.73 -0.668 . . . . 1.89 111.054 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.72 -52.37 63.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.179 0.591 . . . . 2.99 110.884 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.85 3.78 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.495 0.718 . . . . 2.39 110.628 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.28 -16.94 63.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.598 0.759 . . . . 2.21 111.533 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m 64.18 38.92 7.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.861 2.064 . . . . 2.43 110.772 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.44 179.82 4.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.711 1.605 . . . . 1.86 107.691 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -89.09 146.84 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.291 1.037 . . . . 2.1 109.759 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -46.51 -44.11 17.42 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 118.439 0.563 . . . . 3.3 109.961 170.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttm105 -46.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.347 0.659 . . . . 3.51 109.856 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -55.36 -41.14 72.15 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.726 -0.609 . . . . 4.88 110.491 -172.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.51 -52.65 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 109.976 -0.379 . . . . 1.45 109.976 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -53.8 -48.36 69.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 120.928 -1.107 . . . . 2.46 109.5 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.734 0.697 . . . . 1.01 111.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -53.83 -59.65 4.35 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.106 0.866 . . . . 2.01 109.838 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.94 -50.4 74.21 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.466 -0.772 . . . . 1.43 110.443 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -43.2 -68.6 0.18 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.707 1.603 . . . . 3.69 109.469 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . 0.263 21.0 p30 -66.7 -38.86 87.6 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.103 -0.373 . . . . 3.84 111.705 -166.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -55.6 -54.35 45.21 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.417 -0.586 . . . . 2.94 109.417 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttp85 -56.3 -37.96 70.6 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.967 -1.083 . . . . 4.22 111.716 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.81 -46.86 80.24 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.163 0.506 . . . . 2.05 110.065 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -93.21 41.32 1.08 Allowed 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.3 1.44 . . . . 4.77 111.702 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.4 t90 . . . . . 0 N--CA 1.435 -1.216 0 C-N-CA 125.419 1.488 . . . . 3.64 107.762 -177.566 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.234 0.288 0 N-CA-C 106.547 -1.649 . . . . 5.02 106.547 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -105.2 146.85 28.7 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.395 0.678 . . . . 3.52 110.808 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -70.48 -90.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.445 0.698 . . . . 4.44 109.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -172.94 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.714 2.406 . . . . 7.31 107.19 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -43.36 -48.76 7.01 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.198 1.399 . . . . 3.77 110.997 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.59 -56.99 14.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.573 -0.899 . . . . 3.24 108.573 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.08 82.97 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.808 1.243 . . . . 2.79 111.822 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.23 -47.12 72.54 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.474 -0.766 . . . . 3.31 112.346 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.77 -52.82 10.52 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 124.559 1.144 . . . . 5.09 110.044 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.56 -38.11 59.45 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.615 -1.175 . . . . 1.83 108.927 -164.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.53 -42.72 83.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.642 -0.661 . . . . 3.11 110.365 167.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -59.06 -48.83 80.15 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.459 -0.776 . . . . 4.84 110.681 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.6 -51.86 65.73 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 121.638 -0.664 . . . . 3.3 109.343 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 5.9 t80 -56.8 -43.89 81.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.421 0.629 . . . . 1.91 110.659 -175.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -64.16 -33.08 74.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.16 0.984 . . . . 5.0 111.318 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.77 -70.74 0.22 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.353 0.661 . . . . 3.88 109.38 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.81 -165.09 1.19 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.24 1.016 . . . . 4.38 109.551 170.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -118.72 -27.84 5.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.575 0.75 . . . . 3.97 112.831 -171.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -93.02 78.31 4.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.368 -0.975 . . . . 3.98 108.368 -176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.52 150.3 15.58 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.689 -0.804 . . . . 2.54 110.098 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -72.32 157.73 37.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.107 0.963 . . . . 3.86 108.434 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -64.21 -51.66 62.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 106.927 -1.509 . . . . 6.43 106.927 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -75.6 40.8 0.18 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.543 0.687 . . . . 6.29 111.592 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -129.6 -47.19 1.16 Allowed 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.503 -1.295 . . . . 4.92 107.503 143.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -62.15 -30.29 70.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.803 0.841 . . . . 4.42 112.275 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.18 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 107.722 -1.214 . . . . 2.59 107.722 167.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' P' ' 33' ' ' GLU . 22.1 mm-40 -49.45 -51.68 34.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.239 1.815 . . . . 4.08 110.245 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -41.31 -61.83 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 128.164 2.586 . . . . 2.03 110.687 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.01 57.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.824 0.85 . . . . 1.67 110.626 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -66.28 -41.55 89.69 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.235 0.541 . . . . 2.44 110.13 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.47 82.66 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 124.342 1.057 . . . . 2.19 111.918 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.0 mt -91.54 -14.19 30.78 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.044 0.538 . . . . 2.19 111.996 175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 39.6 m 51.85 67.35 0.98 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.994 0.917 . . . . 2.27 109.606 -164.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.94 155.55 45.88 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.51 -2.033 . . . . 1.78 105.51 165.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -69.37 150.97 46.72 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.761 -0.829 . . . . 2.11 108.761 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.54 -37.36 72.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.582 -0.699 . . . . 3.48 109.754 170.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -40.22 -69.41 0.13 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.204 1.002 . . . . 3.66 110.22 164.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.06 -37.97 72.59 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.675 -0.641 . . . . 2.19 111.169 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.61 -55.58 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.286 0.948 . . . . 1.15 110.371 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -48.81 -55.58 11.16 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.357 -0.979 . . . . 2.46 108.357 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.08 -47.53 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.182 0.993 . . . . 0.83 111.862 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -53.54 -51.91 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.171 -0.956 . . . . 1.33 108.935 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -62.26 -46.29 89.47 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 121.586 -0.696 . . . . 1.37 110.331 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -49.32 -58.49 4.99 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.203 1.401 . . . . 4.36 108.974 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -51.5 -51.36 55.81 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 122.385 1.088 . . . . 3.57 108.235 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 52' ' ' ARG . . . . . 0.412 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 18.3 mmt180 -62.33 -56.61 16.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.407 -0.815 . . . . 3.61 110.141 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -53.05 -44.86 67.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.139 1.375 . . . . 5.05 110.764 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -73.43 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.909 0.483 . . . . 2.21 110.258 171.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -55.14 -43.47 74.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.743 -0.598 . . . . 4.07 111.612 -168.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 11.1 t90 . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 127.005 2.122 . . . . 2.77 113.568 -179.206 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 107.459 -1.312 . . . . 4.48 107.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -75.15 162.46 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.367 -0.975 . . . . 3.48 108.367 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -84.81 159.24 20.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.779 -1.193 . . . . 3.01 107.779 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -64.57 -51.19 64.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 107.661 -1.237 . . . . 6.53 107.661 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -37.68 -56.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.502 1.521 . . . . 3.85 113.148 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.74 -44.2 78.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.936 -0.706 . . . . 3.2 110.499 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -52.96 -42.94 65.97 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.111 0.564 . . . . 2.38 110.341 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.97 -48.82 51.96 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.085 0.954 . . . . 3.8 113.258 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -76.96 -30.06 55.86 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.606 0.639 . . . . 5.05 110.308 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -48.61 75.54 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.521 0.729 . . . . 2.22 110.032 172.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.93 -44.05 70.31 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.358 -0.839 . . . . 3.46 111.151 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.52 -32.5 73.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.266 0.626 . . . . 5.7 112.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.46 -41.24 93.61 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.264 -0.897 . . . . 3.27 109.036 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.63 -25.97 64.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.812 -0.555 . . . . 2.35 111.783 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.41 -53.91 30.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.469 -0.937 . . . . 4.56 108.469 172.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -57.98 -48.84 78.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.764 0.826 . . . . 4.62 111.351 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 164.14 28.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.405 1.082 . . . . 3.33 109.749 -158.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -116.03 -55.71 2.38 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.837 -0.54 . . . . 4.11 109.699 166.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -95.56 102.66 14.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.237 1.415 . . . . 4.16 109.673 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' P' ' 30' ' ' ARG . 6.3 mp -65.82 135.71 55.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.607 -1.257 . . . . 2.47 107.607 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -68.18 115.35 7.55 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.555 -1.646 . . . . 3.34 106.555 166.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 23.57 -98.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.956 2.102 . . . . 5.45 113.675 165.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -71.11 -18.52 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 118.758 -0.639 . . . . 7.75 111.544 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' P' ' 26' ' ' LEU . 28.3 tpt180 -46.07 -42.28 13.3 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 119.802 1.183 . . . . 3.9 109.449 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.476 ' HG2' HD22 ' P' ' 26' ' ' LEU . 11.2 mtm-85 -61.16 -38.37 86.21 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.314 -0.866 . . . . 4.14 111.768 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -68.43 -45.86 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 124.235 1.014 . . . . 2.95 109.474 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.06 -48.82 80.13 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 122.101 -0.374 . . . . 3.5 110.154 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.38 -56.87 3.09 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 C-N-CA 125.459 1.504 . . . . 2.2 109.068 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.28 18.86 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.26 0.624 . . . . 2.07 111.313 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -57.62 -51.2 70.48 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.837 -0.431 . . . . 2.71 109.837 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.09 -53.84 30.41 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.95 0.9 . . . . 2.51 111.255 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.32 -20.55 62.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.494 0.718 . . . . 2.21 111.814 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 63.8 m 66.78 51.27 1.05 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.815 1.646 . . . . 2.41 110.39 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.11 -151.96 0.49 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.909 1.684 . . . . 2.17 106.722 167.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 72.6 p -127.72 161.68 28.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.045 -1.095 . . . . 2.18 108.045 168.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -36.62 71.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.169 0.803 . . . . 4.3 113.169 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttm105 -37.72 -63.97 0.42 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.868 0.467 . . . . 3.98 111.181 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.54 -49.8 55.01 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 123.922 0.764 . . . . 2.88 110.966 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.74 -45.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.908 -0.775 . . . . 1.29 108.908 -174.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -52.13 -56.19 16.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.568 -0.707 . . . . 3.05 109.337 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -56.99 -47.16 83.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 O-C-N 123.238 0.336 . . . . 0.91 110.548 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -51.6 -58.94 4.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.709 0.766 . . . . 1.51 109.506 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -64.85 -51.29 62.84 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.022 -1.049 . . . . 1.75 111.183 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -41.19 -54.16 2.98 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.302 1.041 . . . . 3.8 110.399 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.0 -55.9 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.222 -1.029 . . . . 4.69 108.222 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -53.18 -40.29 64.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.992 0.917 . . . . 2.7 111.763 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -57.66 -18.1 18.56 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.898 -1.126 . . . . 5.02 113.696 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.97 -70.86 0.36 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.502 -1.296 . . . . 2.99 107.502 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -49.04 -40.4 31.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.985 1.714 . . . . 5.0 113.937 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 C-N-CA 126.591 1.956 . . . . 3.6 112.675 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.293 -1.003 . . . . 5.97 108.293 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.37 159.81 14.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.179 1.392 . . . . 4.72 110.734 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -78.35 127.32 32.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 117.396 -1.287 . . . . 4.43 108.501 165.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -44.23 -43.06 6.99 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.911 0.757 . . . . 9.15 111.146 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -38.75 -51.51 1.7 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.754 1.221 . . . . 6.17 111.48 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.04 -58.02 10.33 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.634 -0.666 . . . . 4.44 109.287 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -52.33 -33.13 41.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.861 1.265 . . . . 4.37 111.788 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -59.95 3.83 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.972 0.909 . . . . 6.76 111.979 -168.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.52 -36.83 83.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.825 -0.75 . . . . 6.74 109.183 -173.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.3 mt -53.62 -44.93 69.89 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.77 1.228 . . . . 3.75 111.779 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.08 -48.35 61.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.43 1.014 . . . . 6.3 110.726 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.71 -40.84 97.75 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 110.074 -0.343 . . . . 8.49 110.074 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.28 -45.34 93.66 Favored 'General case' 0 C--O 1.224 -0.265 0 O-C-N 121.336 -0.853 . . . . 6.64 110.929 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.2 -48.48 81.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.563 0.619 . . . . 3.2 110.253 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.24 -43.02 74.18 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.795 -0.566 . . . . 6.84 109.66 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -65.05 -43.51 92.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.4 0.68 . . . . 6.28 112.456 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.77 151.74 20.52 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.906 0.883 . . . . 4.04 111.772 -161.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -116.93 -40.89 3.08 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.716 1.607 . . . . 3.64 109.617 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -91.37 101.34 14.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.491 0.716 . . . . 3.95 110.302 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.3 177.92 3.11 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.303 -0.999 . . . . 3.64 108.303 165.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 2.2 t -132.34 -177.88 4.67 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.184 -0.673 . . . . 5.24 109.184 159.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -85.39 41.54 0.9 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.908 0.883 . . . . 5.68 112.522 -158.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -129.03 -53.46 1.21 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.13 -1.433 . . . . 11.9 107.13 153.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -50.88 -39.55 54.36 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.067 0.849 . . . . 6.94 110.76 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -44.44 -49.25 9.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.226 0.61 . . . . 4.05 111.538 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.09 -49.02 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.632 1.173 . . . . 5.13 109.496 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -55.23 -46.92 76.0 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-O 118.574 -0.727 . . . . 7.6 111.562 -174.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.22 -60.05 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.355 -0.98 . . . . 4.02 108.355 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.99 -56.83 5.0 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.343 1.057 . . . . 3.32 110.123 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.28 -41.35 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.142 -0.974 . . . . 4.84 112.456 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.76 73.98 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.321 1.049 . . . . 4.75 110.053 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.35 -8.26 48.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.915 0.886 . . . . 4.11 111.444 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 66.13 37.07 5.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.659 1.984 . . . . 4.4 111.81 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.51 171.9 7.11 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.785 1.634 . . . . 2.7 108.778 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 37.3 p -101.1 152.44 20.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.156 0.982 . . . . 2.29 110.427 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -57.06 -39.32 74.69 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.35 -0.844 . . . . 4.98 111.812 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -43.07 -63.46 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 108.955 -0.757 . . . . 3.68 108.955 168.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.69 -45.94 81.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.076 -0.712 . . . . 2.22 109.076 -173.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.85 -37.84 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.791 0.723 . . . . 1.89 112.343 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -52.14 -61.93 1.96 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.559 -1.274 . . . . 4.19 107.559 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.07 -47.25 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 113.356 -1.747 . . . . 1.25 109.507 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -51.4 -54.3 27.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.97 0.908 . . . . 2.64 110.048 -168.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.06 -54.55 8.25 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 123.799 0.84 . . . . 2.27 109.033 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -47.63 -60.6 2.44 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 122.104 0.954 . . . . 5.86 109.839 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.39 -22.15 61.17 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.641 -0.662 . . . . 5.98 110.575 -167.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.56 -35.81 78.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.878 -1.139 . . . . 4.63 110.039 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -56.7 -29.9 62.9 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.774 -1.204 . . . . 3.92 111.145 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.0 mmt -89.63 -31.15 17.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.095 0.958 . . . . 2.56 110.282 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -57.46 -49.22 76.97 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.863 -0.792 . . . . 4.44 108.863 165.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 10.8 t90 . . . . . 0 N--CA 1.427 -1.59 0 C-N-CA 126.523 1.929 . . . . 4.39 107.352 171.347 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 107.766 -1.198 . . . . 4.93 107.766 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.03 126.53 55.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.608 -1.626 . . . . 3.86 106.608 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -92.37 154.84 18.3 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.079 0.952 . . . . 4.9 112.706 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -42.31 -55.4 3.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.518 2.327 . . . . 11.54 111.89 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -62.88 -52.74 61.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.369 0.604 . . . . 5.6 111.408 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -30.09 69.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.406 -0.361 . . . . 6.22 110.833 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -65.25 -43.81 90.14 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.616 -0.678 . . . . 3.74 110.34 171.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -51.37 4.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.008 1.323 . . . . 6.19 113.523 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -45.97 -54.85 7.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 122.582 1.182 . . . . 7.1 109.669 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 mt -76.65 -31.08 57.11 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.559 -1.655 . . . . 3.23 110.348 -164.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.95 -48.75 67.12 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.561 -0.533 . . . . 5.16 109.561 168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.42 -52.67 56.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 119.021 -0.514 . . . . 6.07 111.185 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -48.78 -63.04 1.21 Allowed 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.19 -0.67 . . . . 4.42 109.19 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.5 -41.88 86.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.794 0.294 . . . . 2.13 111.794 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.53 -36.7 62.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.355 0.262 . . . . 3.83 110.838 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.62 -48.34 7.35 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.326 1.05 . . . . 5.19 112.167 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.83 145.95 12.62 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.592 1.557 . . . . 3.36 112.227 -161.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -107.24 -71.37 0.76 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.897 1.279 . . . . 3.86 111.93 -170.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.46 127.32 30.98 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.723 -0.611 . . . . 4.76 110.472 -168.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.71 164.31 11.92 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.917 0.865 . . . . 4.51 110.347 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -84.57 153.08 23.45 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.067 -1.086 . . . . 5.45 108.067 158.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -39.58 -64.58 0.46 Allowed 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.613 1.165 . . . . 5.85 111.138 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -65.14 -41.08 95.11 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 118.257 -0.878 . . . . 9.02 110.342 -167.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -51.57 -51.54 54.6 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.995 1.27 . . . . 7.82 109.938 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -26.84 68.74 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.98 -0.45 . . . . 5.51 111.421 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.08 -52.61 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.046 -1.033 . . . . 4.37 110.293 167.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -50.65 -49.36 57.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.922 0.889 . . . . 6.14 110.356 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.58 -53.69 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 122.16 0.981 . . . . 3.85 108.851 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.01 70.84 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.669 -0.696 . . . . 3.21 112.364 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -67.06 -52.22 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.606 -0.438 . . . . 4.13 110.467 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.97 22.7 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.526 1.13 . . . . 4.35 110.798 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 54.2 mt -80.39 -11.76 59.66 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.385 0.674 . . . . 4.35 111.938 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 21.2 m 56.68 58.27 4.23 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 4.11 109.496 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -133.35 169.15 17.35 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.144 1.778 . . . . 2.69 106.785 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.7 p -66.38 157.81 30.89 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.23 -0.655 . . . . 1.91 109.23 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -54.23 -44.97 72.16 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.232 -0.655 . . . . 4.09 109.232 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -55.82 -56.56 19.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 119.363 -0.351 . . . . 3.13 111.187 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -51.17 -40.42 58.57 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.291 0.496 . . . . 2.32 110.951 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.05 -56.06 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 O-C-N 121.772 -0.58 . . . . 2.09 110.931 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.95 -54.64 7.95 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 109.214 -0.661 . . . . 3.15 109.214 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -62.37 -41.46 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.584 -0.446 . . . . 1.02 110.423 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -52.12 -48.08 65.0 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.942 -0.473 . . . . 2.0 110.291 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -66.28 -60.63 2.6 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.722 -0.611 . . . . 2.46 110.944 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.13 -56.89 0.73 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.686 1.995 . . . . 5.35 110.935 174.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.45 72.13 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.03 -0.419 . . . . 4.53 110.213 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -38.58 81.98 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.798 -0.445 . . . . 3.43 109.798 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -61.32 -57.9 10.44 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.058 0.943 . . . . 4.75 111.301 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mmt -51.8 -50.54 60.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.5 0.591 . . . . 2.21 109.491 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -47.72 -56.65 6.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.891 0.853 . . . . 4.13 111.248 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 8.2 t90 . . . . . 0 N--CA 1.44 -0.964 0 CA-C-O 123.394 1.569 . . . . 3.41 109.137 -175.557 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.239 0.546 0 N-CA-C 107.669 -1.234 . . . . 5.07 107.669 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -76.6 134.66 39.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.591 -2.374 . . . . 3.23 104.591 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 59.6 p -67.28 159.17 29.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.028 -0.73 . . . . 3.88 109.028 -171.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -47.83 69.02 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.763 0.71 . . . . 9.01 110.148 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -48.16 -49.89 30.81 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.666 0.786 . . . . 3.71 111.65 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.73 -52.51 56.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.694 0.398 . . . . 3.19 110.144 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -56.39 -51.77 67.11 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.972 -0.381 . . . . 2.22 109.972 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.37 -46.72 13.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.964 2.106 . . . . 3.22 112.369 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.65 -62.97 1.31 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.02 -1.104 . . . . 4.89 108.02 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.92 -26.66 63.3 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.124 -1.853 . . . . 2.01 112.062 -161.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -51.08 -32.37 21.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.316 0.507 . . . . 3.59 110.794 167.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -82.05 -51.75 7.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.454 -0.573 . . . . 5.02 109.454 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -51.45 -51.28 56.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.665 0.786 . . . . 3.14 110.389 -173.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -58.3 -45.63 87.63 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.913 0.485 . . . . 2.09 111.468 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -62.91 -21.98 66.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 119.297 -0.382 . . . . 5.87 111.364 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.93 -44.94 10.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.898 1.279 . . . . 4.05 111.91 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 146.01 6.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.27 1.428 . . . . 2.92 109.116 -169.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -127.2 -58.63 1.27 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.838 -0.539 . . . . 5.33 110.036 -159.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.18 134.35 45.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.872 -1.899 . . . . 3.94 105.872 165.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.08 155.19 25.33 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.344 -0.984 . . . . 3.57 108.344 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.39 139.17 54.09 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 105.562 -2.014 . . . . 5.05 105.562 158.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -43.35 -58.93 2.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.322 0.965 . . . . 6.32 112.79 -169.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 -58.6 -23.72 59.35 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.276 -0.89 . . . . 5.84 113.111 -176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.17 -31.71 73.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.631 -1.918 . . . . 4.51 109.894 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -58.07 -49.89 75.35 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.226 -1.398 . . . . 4.64 107.226 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.65 -44.48 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.859 1.264 . . . . 3.11 110.916 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.29 -36.2 68.89 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.661 -1.275 . . . . 4.38 113.972 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.68 -53.11 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 108.694 -0.854 . . . . 2.56 108.694 167.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.02 -48.83 52.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.41 1.084 . . . . 1.93 110.535 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.81 -55.32 35.77 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.922 0.489 . . . . 2.65 110.302 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.55 -55.23 20.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.223 0.535 . . . . 2.66 110.946 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 mt -77.27 -13.48 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.132 0.79 . . . . 2.56 113.132 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.44 36.51 8.81 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.643 1.177 . . . . 2.3 110.481 -173.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.46 171.52 7.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.3 -1.37 . . . . 1.92 107.3 172.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -85.67 160.74 19.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.529 -0.545 . . . . 1.9 109.529 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.42 -48.91 77.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.932 -0.766 . . . . 3.69 108.932 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -44.38 -60.84 1.75 Allowed 'General case' 0 C--N 1.338 0.084 0 C-N-CA 124.415 1.086 . . . . 4.12 109.236 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -54.46 -40.25 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 119.658 -0.211 . . . . 2.43 111.33 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 mm -72.72 -19.78 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 O-C-N 119.981 -1.699 . . . . 1.53 112.81 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -64.58 -63.12 1.21 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.231 -1.543 . . . . 2.49 106.976 163.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -55.72 -45.26 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 114.636 -1.165 . . . . 0.92 111.011 -167.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -51.59 -43.35 62.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.293 -0.879 . . . . 1.62 110.799 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -75.84 -54.1 7.44 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.311 1.045 . . . . 1.94 111.364 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -48.04 -59.48 3.34 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.233 -1.025 . . . . 4.77 108.233 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.37 0.25 1.56 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 125.358 1.463 . . . . 3.51 112.767 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -97.1 -64.76 1.01 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 119.617 1.098 . . . . 3.16 108.374 163.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -54.09 -39.17 66.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.637 1.562 . . . . 5.58 112.128 -170.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -60.95 1.99 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.617 -0.883 . . . . 2.44 108.617 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -45.27 -38.37 5.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.727 2.411 . . . . 5.45 112.793 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 . . . . . 0 N--CA 1.444 -0.768 0 C-N-CA 128.299 2.64 . . . . 3.71 107.497 169.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 121.741 0.781 . . . . 5.1 109.678 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -80.0 92.26 5.56 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.225 -1.398 . . . . 2.76 107.225 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.36 153.7 40.46 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 125.534 1.534 . . . . 2.8 110.706 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -46.09 -52.64 11.69 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.439 0.696 . . . . 6.77 111.861 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -43.96 -47.9 8.58 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.563 0.745 . . . . 3.31 112.108 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -72.68 -51.75 18.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.626 -0.879 . . . . 3.08 108.626 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -52.78 -34.22 52.29 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.581 -0.736 . . . . 2.1 111.201 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.63 -61.64 2.46 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.064 0.946 . . . . 3.17 110.865 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -66.5 -28.51 68.62 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.471 -0.891 . . . . 3.47 110.677 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.48 -48.24 64.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.595 1.158 . . . . 1.84 111.457 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.74 -19.55 65.94 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 120.75 -1.219 . . . . 3.47 112.011 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -73.68 -59.33 2.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.12 1.368 . . . . 5.32 110.565 167.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -45.6 -56.82 4.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.292 1.037 . . . . 2.88 110.272 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -43.16 -50.24 6.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.935 1.694 . . . . 2.08 111.614 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -56.72 -40.89 76.48 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.068 0.547 . . . . 4.06 109.924 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -69.21 -59.3 3.11 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.414 -0.804 . . . . 4.24 110.583 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.77 148.85 37.86 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.484 1.114 . . . . 2.93 111.774 -166.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -48.57 6.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.766 1.226 . . . . 3.96 109.108 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -83.73 133.04 34.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.333 -1.358 . . . . 3.42 107.333 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 127.92 48.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 105.413 -2.069 . . . . 3.3 105.413 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -78.6 165.72 23.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 119.055 0.843 . . . . 3.21 111.297 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -56.95 119.32 6.07 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.09 -1.818 . . . . 4.44 106.09 163.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 85.62 29.07 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 130.743 3.617 . . . . 5.89 111.677 -175.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -135.98 -47.66 0.66 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.779 1.232 . . . . 3.81 107.831 155.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -50.72 -56.37 12.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.696 1.198 . . . . 4.55 109.789 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.72 -49.4 35.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 123.63 0.772 . . . . 2.47 109.383 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -61.95 -45.25 94.5 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.791 -0.623 . . . . 4.24 110.889 -166.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' P' ' 37' ' ' ALA . 6.7 mt -70.73 -40.16 76.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 124.096 0.872 . . . . 3.08 110.868 174.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.82 23.89 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 110.057 -0.349 . . . . 1.63 110.057 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.92 -52.08 65.52 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.77 -0.581 . . . . 2.34 111.162 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' P' ' 34' ' ' ILE . . . -48.14 -54.3 13.79 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.841 0.856 . . . . 2.26 111.707 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -88.39 -4.05 58.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.139 1.376 . . . . 2.24 112.362 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 70.61 59.93 0.21 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.664 1.186 . . . . 2.34 111.073 171.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 31.5 mt -136.18 -179.21 5.53 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.754 2.022 . . . . 2.1 107.415 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -94.06 161.93 14.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.527 0.731 . . . . 2.28 109.852 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -46.18 -52.2 12.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.848 0.859 . . . . 3.78 111.189 173.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -49.56 -49.1 47.73 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.997 -0.371 . . . . 3.53 109.997 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.17 -41.4 97.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.78 -0.575 . . . . 2.64 110.728 -171.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.3 -54.23 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 121.453 -0.779 . . . . 1.16 109.255 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -46.61 -57.56 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.467 -0.771 . . . . 3.47 110.304 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mm -49.23 -59.33 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.91 110.631 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -49.02 -49.82 39.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.746 0.703 . . . . 1.32 110.089 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.74 -48.26 72.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.63 -0.669 . . . . 1.63 110.319 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.72 -55.53 33.71 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.802 -0.561 . . . . 5.04 109.796 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.8 -53.55 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.522 1.129 . . . . 3.48 110.05 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -39.67 66.99 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.316 0.579 . . . . 2.8 110.107 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -63.35 -47.77 80.74 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.119 -1.613 . . . . 3.55 112.355 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -56.21 -45.53 79.83 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.609 -0.682 . . . . 1.97 109.849 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.73 -58.82 5.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.456 1.102 . . . . 6.05 111.409 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.447 0 C-N-CA 126.926 2.09 . . . . 2.85 114.079 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 106.595 -1.631 . . . . 5.17 106.595 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -77.36 125.9 30.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.065 -1.087 . . . . 3.23 108.065 -175.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -61.82 142.18 57.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.459 -1.682 . . . . 4.03 106.459 153.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -46.44 -42.21 14.97 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.809 0.731 . . . . 6.3 111.351 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -39.09 -47.75 1.59 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.394 1.478 . . . . 4.94 113.1 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.11 -49.79 68.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.288 0.495 . . . . 4.08 109.67 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.54 -48.14 69.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.496 0.719 . . . . 2.73 110.811 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -44.27 -59.64 2.28 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.742 1.015 . . . . 3.64 113.742 -166.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.48 -25.64 64.17 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.079 -1.013 . . . . 4.83 112.144 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.88 -35.16 72.24 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.542 0.737 . . . . 1.95 109.536 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.29 -41.41 68.86 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.262 -0.899 . . . . 3.13 110.549 167.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.37 -38.04 68.61 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.9 0.48 . . . . 4.49 110.911 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.43 -49.2 70.54 Favored 'General case' 0 C--O 1.226 -0.154 0 O-C-N 121.233 -0.917 . . . . 3.27 110.119 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.01 -44.81 94.33 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.58 -0.526 . . . . 2.4 109.58 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -51.49 -58.66 5.66 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.744 -0.836 . . . . 5.06 108.744 171.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.73 -76.77 0.08 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.961 0.356 . . . . 4.61 111.961 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.11 93.91 4.68 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.555 1.942 . . . . 3.75 108.884 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -48.88 -44.08 39.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.169 -0.444 . . . . 5.06 111.792 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -105.05 131.2 52.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.759 1.224 . . . . 4.25 108.23 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.38 133.56 39.19 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.581 -0.699 . . . . 2.82 110.269 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -59.27 144.67 45.58 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 107.488 -1.301 . . . . 3.34 107.488 158.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -57.41 -38.51 74.43 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 120.7 -1.25 . . . . 4.55 109.596 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -67.15 64.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.8 1.64 . . . . 6.2 109.712 164.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 178.39 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.32 3.048 . . . . 3.88 105.027 171.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -51.62 -54.46 27.54 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 3.94 109.434 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.48 -47.12 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 124.282 1.033 . . . . 2.48 110.085 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.29 -45.05 67.09 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 3.6 108.543 -165.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.51 -43.24 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 123.556 0.743 . . . . 2.75 111.104 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.91 -47.74 31.98 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.483 -0.562 . . . . 1.99 109.483 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -62.98 -49.26 75.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.035 -0.507 . . . . 2.74 111.958 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 -67.66 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.751 1.22 . . . . 2.77 110.412 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.22 -20.46 65.69 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.937 0.895 . . . . 3.07 111.338 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m 63.9 53.16 1.96 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.889 1.276 . . . . 2.52 109.939 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.6 176.28 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.478 2.311 . . . . 2.14 107.505 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.8 p -77.76 158.62 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.297 0.57 . . . . 2.23 110.766 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.89 -47.17 71.39 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.058 -1.09 . . . . 4.19 108.058 167.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -38.06 -59.95 0.8 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 124.554 1.142 . . . . 3.6 110.945 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -50.96 -41.76 59.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 122.123 -0.361 . . . . 4.7 111.511 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.54 -2.07 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.304 -0.872 . . . . 2.55 111.729 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -77.15 -62.9 1.5 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 119.197 -2.19 . . . . 4.43 108.308 152.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -52.2 -54.63 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 126.242 1.817 . . . . 0.94 113.461 -168.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -55.85 -52.41 64.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.301 0.572 . . . . 1.58 110.524 -170.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -62.25 -55.96 23.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 123.09 0.556 . . . . 1.6 110.221 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -41.06 -66.17 0.36 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.688 1.595 . . . . 3.93 109.701 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -61.26 -51.32 69.4 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.716 0.806 . . . . 4.81 110.668 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -51.7 -31.18 25.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.082 0.953 . . . . 3.04 111.953 -166.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -51.19 -37.16 45.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.699 0.681 . . . . 4.74 112.717 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mmt -54.68 -33.48 60.88 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.663 -0.648 . . . . 3.7 111.795 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -103.25 -45.15 4.98 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.402 1.096 . . . . 3.79 110.953 -169.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.437 -1.1 0 N-CA-C 104.824 -2.287 . . . . 6.34 104.824 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.671 -0.492 . . . . 4.06 109.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -63.76 142.16 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.694 -0.23 . . . . 3.34 110.596 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -74.82 -90.42 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.352 -0.61 . . . . 5.58 109.352 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -168.35 -49.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.324 1.45 . . . . 7.67 107.618 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -38.23 -48.1 1.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.002 1.321 . . . . 4.84 111.813 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.18 -66.43 0.46 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.498 0.719 . . . . 4.33 109.817 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -39.57 10.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.728 1.211 . . . . 3.03 111.928 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.97 -54.15 46.59 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.212 0.605 . . . . 4.67 112.467 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.72 -32.52 57.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 119.756 -0.777 . . . . 5.22 110.203 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.93 -52.04 46.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.75 1.22 . . . . 2.91 110.402 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.41 -52.91 33.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.274 0.63 . . . . 4.19 110.448 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -52.24 -52.97 49.36 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.624 0.37 . . . . 5.42 111.476 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.33 -41.58 93.86 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.381 -0.825 . . . . 4.69 110.507 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.09 -44.15 87.44 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.913 0.338 . . . . 2.26 111.913 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.23 -42.99 87.52 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.808 -0.558 . . . . 5.14 110.484 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.47 -75.7 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.882 0.372 . . . . 4.04 111.107 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.24 74.31 9.23 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.102 0.961 . . . . 3.42 110.051 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -52.7 -51.1 61.78 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.73 -0.606 . . . . 4.24 110.282 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -85.33 127.8 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.66 -1.608 . . . . 3.94 106.66 159.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 23.4 tp -105.33 108.18 19.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 106.374 -1.713 . . . . 3.09 106.374 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -62.52 145.01 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.359 -0.978 . . . . 3.1 108.359 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -48.77 -51.51 28.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.281 1.032 . . . . 5.9 112.855 -167.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -59.53 -48.07 83.09 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.154 -0.684 . . . . 8.4 109.154 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -54.54 -40.9 69.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.005 0.366 . . . . 3.9 110.367 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm105 -57.39 -47.31 82.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 121.009 -1.057 . . . . 3.45 111.362 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -54.95 -45.11 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.747 -0.464 . . . . 3.25 109.747 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.12 -54.93 41.19 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.5 -0.75 . . . . 5.27 111.507 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.59 -57.81 5.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 125.11 1.364 . . . . 2.72 109.19 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.86 -56.26 7.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.719 -1.128 . . . . 2.98 109.112 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.7 -40.77 96.22 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.261 -0.274 . . . . 3.25 110.519 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.42 72.83 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.187 0.595 . . . . 3.33 111.045 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 62.6 mt -83.85 -3.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.556 0.343 . . . . 3.14 111.158 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m 62.53 51.29 3.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.016 1.326 . . . . 3.46 110.872 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.61 -175.84 3.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 128.182 2.593 . . . . 2.49 107.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.5 p -102.94 153.47 20.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.786 0.803 . . . . 2.89 111.681 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.86 -48.22 67.24 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.371 -0.974 . . . . 4.6 108.371 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -56.97 -57.18 13.65 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.697 -0.229 . . . . 3.67 110.776 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -53.11 -46.04 68.55 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.336 -0.853 . . . . 2.87 111.042 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 110.194 -0.298 . . . . 2.4 110.194 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -48.99 -56.11 9.92 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.746 -0.835 . . . . 2.51 108.746 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mm -59.97 -40.16 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.066 0.546 . . . . 0.87 111.571 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -64.5 -49.67 70.42 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.927 -1.108 . . . . 2.09 109.107 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -58.41 -50.7 72.75 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.068 -0.716 . . . . 1.71 109.068 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.02 -58.24 6.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.073 1.349 . . . . 3.72 108.136 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.18 -63.87 0.98 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.419 -0.585 . . . . 4.18 109.419 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -56.84 -38.51 72.77 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.979 -0.451 . . . . 4.14 110.554 -173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -54.9 -44.47 74.19 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 120.711 -1.243 . . . . 3.97 113.292 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -59.06 6.03 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 107.342 -1.355 . . . . 2.51 107.342 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -53.75 -42.27 68.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.958 0.885 . . . . 4.84 111.561 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 . . . . . 0 N--CA 1.449 -0.49 0 C-N-CA 126.969 2.108 . . . . 3.38 112.604 -175.761 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.087 -1.079 . . . . 5.82 108.087 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -78.76 128.46 33.44 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.726 -0.609 . . . . 3.62 109.673 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -66.17 141.75 57.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.43 -1.322 . . . . 4.72 107.43 156.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -49.03 -36.74 18.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.112 0.965 . . . . 9.85 111.899 -175.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -43.38 -42.52 4.68 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.82 1.044 . . . . 4.96 113.82 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.08 -57.29 5.13 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.048 -1.093 . . . . 4.21 108.048 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -51.96 -36.17 48.62 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.207 1.403 . . . . 2.97 113.08 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -47.09 35.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.273 1.829 . . . . 4.91 111.762 -169.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.73 -61.5 1.91 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.755 1.264 . . . . 3.63 109.334 171.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.89 -33.08 75.01 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 112.638 -2.074 . . . . 2.64 110.023 -162.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.87 -49.91 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.483 0.583 . . . . 4.45 110.588 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.75 -46.4 82.34 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.524 -0.547 . . . . 5.9 109.524 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.17 -43.68 70.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.258 -0.401 . . . . 4.3 110.147 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.6 -39.95 95.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.433 0.56 . . . . 3.24 111.061 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -58.29 -34.97 71.12 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.357 -0.839 . . . . 5.08 110.119 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -46.86 23.84 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.467 0.707 . . . . 5.85 112.842 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.58 179.3 7.91 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 124.76 1.224 . . . . 4.31 110.051 -161.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.67 -54.76 2.58 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.876 0.871 . . . . 4.96 111.494 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -128.6 1.96 5.54 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.419 1.266 . . . . 5.68 114.419 -164.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.22 177.35 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 125.492 1.517 . . . . 3.58 112.177 174.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.7 m -97.59 145.86 25.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.75 -1.574 . . . . 4.25 106.75 159.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -42.05 -52.57 4.2 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.543 1.537 . . . . 5.67 110.955 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -42.16 -64.62 0.56 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.892 0.877 . . . . 6.94 111.683 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -59.07 -37.34 76.84 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 121.23 -0.919 . . . . 4.35 111.128 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -55.03 -45.68 75.21 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.39 0.996 . . . . 4.78 110.374 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.68 -51.04 77.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.341 -0.614 . . . . 3.16 109.341 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.72 -43.41 98.9 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.417 -0.802 . . . . 5.03 111.483 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.43 -58.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.276 1.43 . . . . 3.2 109.206 166.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.15 -52.0 22.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.337 0.655 . . . . 1.97 111.625 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -68.32 -44.13 76.04 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.631 0.651 . . . . 2.46 111.569 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.44 -53.97 52.11 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.818 0.847 . . . . 2.72 110.178 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.47 -25.12 62.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.136 0.574 . . . . 2.64 111.034 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 12.2 m 65.47 63.25 0.64 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.25 1.42 . . . . 2.14 109.154 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 75.7 mt -130.7 164.51 24.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.495 2.318 . . . . 1.61 106.209 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -76.75 153.3 35.14 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.69 0.757 . . . . 1.75 110.656 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.67 -42.1 92.14 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.489 -0.757 . . . . 4.16 109.066 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -36.82 -71.57 0.07 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.091 1.356 . . . . 3.31 109.251 163.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -50.35 -50.3 51.62 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.546 0.738 . . . . 2.08 112.091 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.05 -49.88 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 119.579 1.082 . . . . 1.29 109.83 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -49.59 -57.82 6.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.058 0.943 . . . . 2.2 109.1 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mm -51.41 -46.62 35.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 125.017 1.327 . . . . 1.08 112.849 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -55.39 -52.43 63.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.929 -0.767 . . . . 2.04 108.929 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -67.78 -42.7 81.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.067 0.547 . . . . 2.47 110.759 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -46.02 -58.82 3.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.572 0.701 . . . . 3.58 109.841 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -71.02 -43.47 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.134 -0.691 . . . . 4.73 109.134 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -54.09 -47.62 71.56 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.1 -0.333 . . . . 3.43 110.1 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -52.31 -58.8 5.54 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.023 -1.048 . . . . 4.58 110.672 171.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 34.9 mmt -50.54 -47.53 57.61 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.56 0.695 . . . . 2.28 111.027 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -67.2 -47.0 72.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.38 0.672 . . . . 3.87 109.795 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.3 t90 . . . . . 0 C--O 1.226 -0.144 0 C-N-CA 125.942 1.697 . . . . 2.71 111.437 172.324 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 CA--C 1.527 0.08 0 N-CA-C 111.782 0.289 . . . . 6.17 111.782 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -33.09 135.21 0.1 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.741 2.416 . . . . 4.04 113.087 -161.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 150.27 42.98 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.739 0.816 . . . . 4.68 108.854 175.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -54.24 -42.91 70.4 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.285 -0.26 . . . . 6.44 111.242 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -39.86 -45.99 1.91 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.895 2.078 . . . . 4.67 112.367 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.94 -54.94 11.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.878 -0.786 . . . . 3.3 108.878 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -45.97 61.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.967 0.413 . . . . 3.34 110.824 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.05 -47.32 74.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 118.338 -0.839 . . . . 3.4 113.134 -170.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.74 -27.5 50.49 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.082 -1.047 . . . . 4.38 111.047 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.01 -44.97 90.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 118.59 0.632 . . . . 1.98 109.935 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -56.66 -30.96 63.92 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.892 -0.505 . . . . 3.01 111.628 170.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -76.44 -47.9 21.51 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.958 1.303 . . . . 4.94 110.205 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -52.89 -63.08 1.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.008 -1.479 . . . . 3.52 107.008 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -80.5 63.14 4.84 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 123.103 1.43 . . . . 3.01 110.702 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -168.13 -49.32 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 127.339 2.256 . . . . 4.43 105.332 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.09 -57.63 12.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.499 -0.556 . . . . 4.16 109.499 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 179.81 6.11 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.734 1.614 . . . . 2.73 110.454 -170.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -139.51 -54.54 0.56 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 123.234 0.614 . . . . 5.05 112.179 -174.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -96.03 122.31 38.71 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.629 -0.878 . . . . 3.88 108.629 -167.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.02 132.67 46.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.512 0.725 . . . . 2.89 109.87 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -65.71 153.26 42.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.139 -1.43 . . . . 4.18 107.139 165.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.62 -46.39 77.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.466 1.03 . . . . 5.29 109.836 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -65.93 9.68 0.13 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.494 1.118 . . . . 6.42 113.829 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -116.24 -49.42 2.68 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 119.964 -1.71 . . . . 4.31 108.41 158.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.12 -44.87 3.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.351 2.26 . . . . 4.97 111.62 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.04 -64.76 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.352 1.061 . . . . 2.65 108.648 170.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -49.25 -42.23 40.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.468 1.507 . . . . 4.94 113.566 -166.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.84 -55.11 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 124.389 1.056 . . . . 2.67 108.789 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.56 83.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.097 0.559 . . . . 1.86 111.703 -170.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -62.2 -50.41 71.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.787 -0.82 . . . . 2.65 108.787 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.44 -55.47 31.32 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.76 0.824 . . . . 2.6 111.194 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.38 -43.65 93.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.099 -0.704 . . . . 3.61 109.099 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m 72.49 45.06 0.37 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.381 1.872 . . . . 2.63 111.086 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.43 -120.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 105.118 -2.178 . . . . 2.97 105.118 152.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -146.13 164.24 32.82 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.587 1.085 . . . . 2.91 109.392 166.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.28 80.44 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.502 0.721 . . . . 4.09 110.155 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -52.23 -55.59 20.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.089 0.471 . . . . 3.69 109.772 173.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.36 -37.87 82.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.512 -0.743 . . . . 2.53 111.636 -169.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.96 -51.57 68.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.093 0.86 . . . . 1.36 110.308 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -45.31 -57.29 4.11 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 108.565 -0.902 . . . . 2.46 108.565 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.8 -41.89 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.388 -0.824 . . . . 0.82 111.527 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -59.56 -49.73 76.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.663 1.119 . . . . 1.47 109.251 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -61.89 -52.42 64.19 Favored 'General case' 0 C--N 1.334 -0.081 0 O-C-N 121.781 -0.574 . . . . 3.17 109.539 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -46.97 -63.59 1.0 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.152 1.381 . . . . 3.65 108.886 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -56.87 -58.99 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.425 1.09 . . . . 3.69 110.515 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.09 -47.92 74.28 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.051 -0.352 . . . . 4.48 110.051 -173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -68.13 -45.5 73.43 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.08 -0.387 . . . . 3.66 110.797 -176.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -39.69 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.228 -0.92 . . . . 3.19 110.36 -175.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -71.18 -40.18 71.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.218 1.007 . . . . 5.44 109.404 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.515 0 CA-C-O 125.602 2.62 . . . . 3.11 109.509 166.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 105.597 -2.001 . . . . 3.96 105.597 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.84 122.9 11.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 122.282 1.039 . . . . 2.7 111.956 -166.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.66 158.05 28.38 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.047 1.739 . . . . 2.89 110.005 174.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -48.97 -53.7 18.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.558 0.743 . . . . 6.21 110.609 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -40.93 -51.6 3.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.353 1.061 . . . . 3.61 111.971 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -69.24 -42.0 76.22 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.246 0.618 . . . . 3.25 110.515 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -63.62 -36.57 84.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.603 -0.686 . . . . 2.09 111.454 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -56.34 15.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.907 0.883 . . . . 4.71 111.053 -158.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.75 -33.96 76.81 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 118.835 -1.146 . . . . 3.6 110.713 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.15 -38.02 89.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.639 1.176 . . . . 1.89 111.601 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.84 -47.85 64.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.986 0.812 . . . . 3.34 110.364 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -67.71 -41.79 83.01 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.853 -0.594 . . . . 4.14 110.284 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.18 -61.24 2.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 118.485 0.584 . . . . 3.28 109.779 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -48.73 -53.26 19.64 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.96 0.904 . . . . 2.16 111.578 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.15 -47.91 81.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.337 -0.847 . . . . 4.09 110.067 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.44 -47.86 68.94 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.824 0.821 . . . . 4.25 111.469 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 105.62 2.43 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.775 1.63 . . . . 2.84 110.944 -163.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 ttp-105 -72.3 -53.87 11.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.143 0.977 . . . . 5.3 109.556 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -65.19 132.27 48.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.101 -1.814 . . . . 4.64 106.101 162.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.23 -92.76 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.393 -1.706 . . . . 4.9 106.393 170.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . 0.252 1.8 t -170.45 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.09 -1.007 . . . . 4.24 108.474 163.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -141.68 -75.35 0.3 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.709 -1.219 . . . . 8.73 107.709 162.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -79.79 59.39 3.1 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.86 -1.15 . . . . 7.68 110.087 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 27.2 mmm-85 -123.31 -47.7 1.99 Allowed 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.106 -1.442 . . . . 3.73 107.106 152.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -45.51 25.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.82 1.191 . . . . 5.69 113.313 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.5 -56.12 18.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 107.54 -1.281 . . . . 2.76 107.54 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.75 -42.45 79.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.262 1.425 . . . . 4.27 110.541 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.27 -50.7 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 119.379 0.991 . . . . 2.64 109.967 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.16 84.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.74 -0.664 . . . . 2.24 110.056 -172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.73 -56.1 6.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.563 0.745 . . . . 3.0 109.017 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.7 -65.3 0.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.909 1.684 . . . . 2.64 109.821 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.06 -18.77 63.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.842 -0.599 . . . . 2.26 111.745 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 57.38 55.59 5.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.943 0.792 . . . . 2.59 108.917 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -127.89 159.68 34.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 104.971 -2.233 . . . . 1.96 104.971 171.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -68.36 152.09 45.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.671 0.748 . . . . 2.47 109.81 -171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -45.26 65.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.548 -0.72 . . . . 5.59 109.654 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -46.42 -66.76 0.36 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.536 1.135 . . . . 3.66 109.957 168.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -49.86 -44.36 49.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.662 0.385 . . . . 2.09 111.372 -173.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.55 -55.94 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.405 0.548 . . . . 1.3 110.24 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -50.68 -54.45 22.98 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.128 -0.693 . . . . 3.23 109.128 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -53.59 -41.09 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.266 0.626 . . . . 0.83 111.235 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -60.35 -54.06 50.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.443 1.02 . . . . 1.45 110.606 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -59.38 -48.88 79.94 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.428 -0.795 . . . . 1.42 110.0 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.91 -47.16 77.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.997 0.919 . . . . 4.78 110.505 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.14 -55.78 24.44 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.518 -0.919 . . . . 3.3 108.518 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.96 -36.65 68.06 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 119.006 -0.521 . . . . 3.07 111.967 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.95 -53.48 56.35 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.548 1.067 . . . . 4.74 110.562 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -58.57 -37.03 74.88 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.028 0.751 . . . . 2.25 113.028 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -68.83 -47.06 66.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.319 1.057 . . . . 5.39 109.344 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 71.3 t90 . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 106.532 -1.655 . . . . 2.88 106.532 169.485 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.237 0.415 0 N-CA-C 108.919 -0.771 . . . . 5.63 108.919 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.56 115.75 26.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.907 -0.496 . . . . 4.21 111.847 -163.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 63.0 p -56.28 155.98 6.26 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 109.585 -0.524 . . . . 4.41 109.585 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -49.94 -50.61 45.98 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.956 -0.387 . . . . 7.96 109.956 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.48 -51.32 36.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.723 -0.611 . . . . 5.16 110.536 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -82.2 42.86 0.76 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.683 -0.636 . . . . 3.82 111.132 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -146.72 -55.05 0.25 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 3.75 105.945 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -40.88 -43.69 2.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.969 2.108 . . . . 4.33 115.166 -172.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.64 -35.67 14.08 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 119.073 0.851 . . . . 5.32 112.076 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.28 -33.78 63.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.923 0.889 . . . . 3.68 110.06 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.3 -60.16 2.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 4.82 111.601 169.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -66.79 -36.69 83.0 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 119.434 -0.317 . . . . 7.64 111.287 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -58.3 -54.03 51.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 120.425 -0.51 . . . . 4.93 110.458 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.02 -44.92 61.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.271 0.487 . . . . 3.7 109.756 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -57.15 -58.26 8.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.374 -0.346 . . . . 6.52 111.005 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.22 -57.05 10.6 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.895 0.771 . . . . 7.24 111.231 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 112.0 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.895 1.678 . . . . 4.22 111.048 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -71.28 -51.09 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.143 -1.058 . . . . 6.61 108.143 160.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.88 78.22 4.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.301 -0.629 . . . . 4.6 109.301 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.35 125.93 25.54 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.668 -1.234 . . . . 3.88 107.668 162.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 145.24 20.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.872 -1.159 . . . . 5.49 107.872 161.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -44.96 -64.16 0.77 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.554 0.742 . . . . 6.79 110.064 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -83.61 42.55 0.85 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.981 -1.075 . . . . 8.01 112.043 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -114.47 -52.82 2.7 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 106.23 -1.767 . . . . 9.26 106.23 146.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -50.83 -41.73 57.89 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.688 1.195 . . . . 4.69 111.971 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.64 -48.57 86.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 120.901 -1.125 . . . . 4.25 109.835 172.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.9 -36.78 75.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.612 1.165 . . . . 6.02 112.407 -174.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 32.6 mm -47.39 -55.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.377 0.608 . . . . 3.88 110.014 168.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.64 65.36 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.657 1.183 . . . . 3.37 109.824 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -57.25 -56.46 21.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.377 -0.231 . . . . 5.01 110.377 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.47 -55.69 20.24 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.816 0.846 . . . . 4.32 111.592 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -75.18 -17.93 60.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.186 -0.461 . . . . 3.85 111.003 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m 59.41 60.15 2.4 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.346 1.458 . . . . 4.5 108.953 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -126.5 162.51 25.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.961 -1.866 . . . . 3.02 105.961 171.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.76 151.99 41.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.816 -0.809 . . . . 3.17 108.816 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 42' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' P' ' 42' ' ' GLU . 0.0 OUTLIER -51.34 -48.01 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.967 0.907 . . . . 4.98 110.567 178.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -49.68 -55.61 13.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.678 -0.86 . . . . 3.02 108.678 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -51.28 -48.29 62.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.273 0.559 . . . . 3.86 110.888 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -54.93 -49.13 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.221 0.534 . . . . 2.15 109.714 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -48.54 77.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.727 -0.608 . . . . 2.9 110.257 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.89 -49.1 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.144 0.578 . . . . 0.89 110.1 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -47.76 -52.32 19.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.864 0.756 . . . . 2.52 109.352 175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -62.68 -58.81 6.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.92 -0.488 . . . . 3.1 110.1 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -59.01 -49.65 77.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.386 0.674 . . . . 4.85 110.05 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.95 -50.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.95 -0.759 . . . . 3.97 108.95 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -60.28 -32.34 71.1 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.453 -0.573 . . . . 3.86 109.453 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -50.88 63.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.371 -1.455 . . . . 4.66 111.333 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -51.9 -44.75 63.91 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.899 0.857 . . . . 3.11 110.566 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -57.72 -64.86 0.75 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.31 1.444 . . . . 5.88 110.626 169.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.226 -0.132 0 C-N-CA 128.227 2.611 . . . . 3.19 113.381 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 107.357 -1.349 . . . . 4.27 107.357 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -62.84 149.11 45.12 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.609 -1.626 . . . . 3.21 106.609 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -79.02 -140.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.42 -0.585 . . . . 3.72 109.42 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -100.42 -47.01 5.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 120.249 -1.532 . . . . 9.24 107.616 160.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -50.8 -52.08 44.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.51 0.724 . . . . 3.21 111.715 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.43 -42.51 87.44 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.281 -0.637 . . . . 4.12 109.281 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -67.2 -30.86 70.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.479 1.112 . . . . 2.67 111.536 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -70.29 0.1 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.082 1.353 . . . . 3.2 113.078 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.45 -28.43 69.27 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.252 -0.579 . . . . 3.82 111.054 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.52 -38.2 88.97 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 119.091 -0.48 . . . . 2.06 110.873 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.23 -47.3 86.7 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.61 1.096 . . . . 3.79 110.702 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -53.89 -49.8 67.77 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.57 -0.53 . . . . 4.49 109.57 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -66.14 -62.25 1.59 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.533 1.133 . . . . 2.88 109.042 -174.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -57.35 -40.41 77.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.77 1.168 . . . . 3.21 112.919 -172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -68.72 -14.59 63.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.819 -1.175 . . . . 8.21 111.545 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.34 -71.63 0.7 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.314 1.046 . . . . 4.98 110.024 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -90.56 97.9 11.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 127.442 2.297 . . . . 3.72 108.048 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.54 -56.57 5.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.133 -1.062 . . . . 6.37 108.133 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -82.89 125.75 31.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.572 -1.27 . . . . 4.49 107.572 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -117.31 120.05 37.01 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.563 1.945 . . . . 2.63 106.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.2 p -67.69 159.73 29.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.361 0.528 . . . . 3.72 109.821 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -54.21 -53.15 57.44 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.33 0.652 . . . . 4.58 109.59 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -48.68 -61.39 2.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.056 0.542 . . . . 6.36 110.265 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -58.07 -43.83 87.17 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 118.056 0.389 . . . . 4.15 110.17 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -55.96 -47.45 77.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.521 1.055 . . . . 4.1 112.249 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -54.9 -49.5 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.343 -0.243 . . . . 2.54 110.343 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -59.51 -50.19 74.86 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 118.911 -0.566 . . . . 3.66 111.884 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.19 -57.27 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 125.775 1.63 . . . . 2.03 108.279 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.04 -49.61 60.22 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 1.71 111.044 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -67.98 -36.93 80.86 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.874 -0.516 . . . . 2.34 112.293 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.09 -56.06 17.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.035 0.934 . . . . 2.33 109.55 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.74 -18.51 60.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 118.949 -0.548 . . . . 2.56 111.883 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m 66.02 67.12 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.154 0.981 . . . . 2.2 109.286 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.21 168.28 19.92 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.173 2.189 . . . . 1.81 106.269 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 21.0 p -77.55 158.87 29.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.269 0.94 . . . . 2.26 109.51 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -55.03 -41.13 70.99 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.662 -0.866 . . . . 3.68 108.662 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -51.35 -54.48 25.95 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.244 -0.65 . . . . 3.57 109.244 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -54.88 -44.49 74.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.037 -0.665 . . . . 2.3 111.153 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.99 -52.37 61.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 121.12 -0.988 . . . . 1.29 110.357 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -45.98 -59.57 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.495 1.518 . . . . 2.39 108.875 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.6 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 C-N-CA 126.302 1.841 . . . . 0.99 110.975 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -54.5 -54.45 40.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.956 0.884 . . . . 1.68 109.176 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.93 -53.06 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.537 0.735 . . . . 1.62 110.174 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -48.38 -62.16 1.63 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.749 1.62 . . . . 3.75 108.986 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -46.09 -52.7 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.114 1.766 . . . . 3.44 110.461 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.76 -47.03 64.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 119.032 -0.508 . . . . 3.81 111.595 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -50.72 -43.81 58.06 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.657 1.117 . . . . 4.49 113.097 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -54.66 43.45 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 107.967 -1.123 . . . . 2.14 107.967 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -69.79 -48.78 57.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 5.81 108.744 -170.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.5 t90 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 126.949 2.1 . . . . 2.63 112.657 172.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.234 0.275 0 N-CA-C 113.721 1.008 . . . . 5.14 113.721 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -63.03 137.16 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.804 -1.554 . . . . 3.56 106.804 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -69.13 165.45 20.31 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.179 -1.045 . . . . 3.46 108.179 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -58.08 -51.83 68.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.124 -1.03 . . . . 9.37 108.685 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -39.47 -47.47 1.84 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.327 1.451 . . . . 4.78 113.162 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -57.71 -64.74 0.8 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.079 0.943 . . . . 3.54 109.813 173.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -45.73 -39.27 7.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.289 1.836 . . . . 2.78 113.424 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.21 -54.43 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.926 0.89 . . . . 5.11 112.265 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.5 -28.96 62.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.21 -0.596 . . . . 4.81 110.902 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.54 -44.44 90.82 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.748 0.819 . . . . 2.44 110.539 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -55.83 -42.82 76.3 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.925 -1.109 . . . . 3.83 110.923 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.18 -48.37 80.52 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.46 0.475 . . . . 5.06 109.818 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.61 -49.29 75.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.961 -1.019 . . . . 4.14 110.703 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -52.5 -45.07 66.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.72 0.691 . . . . 2.6 110.143 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -53.96 -56.58 16.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 4.77 109.786 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.12 -53.84 39.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 123.654 0.782 . . . . 8.03 111.146 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.88 117.1 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.101 -1.074 . . . . 4.41 108.101 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -69.06 -39.12 79.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.452 0.701 . . . . 5.64 109.459 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 120.52 39.18 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.29 -0.882 . . . . 7.32 109.326 167.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.13 161.0 26.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.598 1.159 . . . . 3.2 108.578 164.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -91.47 160.94 15.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.651 1.98 . . . . 4.39 108.716 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -82.9 59.92 5.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.342 -0.849 . . . . 4.99 111.312 -170.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -143.57 -61.94 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 104.596 -2.372 . . . . 9.36 104.596 161.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -47.67 -46.09 28.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.861 1.265 . . . . 5.08 112.114 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm105 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.378 -0.826 . . . . 4.71 110.922 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.82 -54.72 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 108.168 -1.049 . . . . 3.1 108.168 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -49.28 -39.41 30.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.171 0.188 . . . . 4.31 111.158 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -68.67 -44.64 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 124.063 0.945 . . . . 3.05 112.02 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.95 34.47 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.145 -0.347 . . . . 1.81 110.783 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -68.41 -51.58 42.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.448 -0.311 . . . . 2.51 110.832 171.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.86 -56.79 3.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.457 1.503 . . . . 2.41 112.277 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.96 -11.0 54.18 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.299 0.639 . . . . 2.87 112.083 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m 65.01 43.1 3.89 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.53 1.132 . . . . 2.27 110.69 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.29 -162.6 0.94 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.767 -1.568 . . . . 2.23 106.767 167.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.3 160.35 22.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.396 -1.705 . . . . 3.61 106.396 170.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.1 -40.69 70.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.273 -1.346 . . . . 4.69 112.73 -173.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -49.13 -49.33 42.7 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 119.917 1.235 . . . . 3.64 110.052 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -55.86 -51.66 66.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 118.407 0.549 . . . . 3.97 110.593 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.93 -56.59 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.014 -1.054 . . . . 1.28 109.629 -175.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -41.75 -58.04 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.377 1.871 . . . . 2.33 109.416 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.79 -54.97 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.209 1.404 . . . . 1.06 110.981 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -52.99 -50.38 64.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.022 -0.733 . . . . 1.6 109.022 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -59.05 -55.77 30.82 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.636 -0.665 . . . . 1.89 110.513 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -51.86 -59.53 4.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.493 1.139 . . . . 5.15 109.693 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -62.05 -41.97 98.69 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.596 1.558 . . . . 4.08 110.067 -171.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -39.36 93.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.215 0.606 . . . . 3.39 109.901 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.01 -53.25 58.23 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.245 -0.909 . . . . 3.87 112.063 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -35.71 -53.75 0.71 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.253 1.502 . . . . 2.13 110.765 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -79.33 -38.45 35.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.059 -1.882 . . . . 5.96 110.289 -165.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 7.2 t90 . . . . . 0 N--CA 1.438 -1.073 0 N-CA-C 106.504 -1.665 . . . . 5.2 106.504 170.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 1 O4'-C1'-N19 113.73 7.412 . . . . 5.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C4'-C3' 108.426 2.826 . . . . 4.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 P-O3'-C3' 123.367 3.056 . . . . 4.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.495 1 O4'-C1'-N19 111.454 4.568 . . . . 5.51 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.623 3.529 . . . . 2.51 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 O3'-P-O5' 110.086 3.203 . . . . 2.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C4'-C3'-C2' 99.28 -3.92 . . . . 1.44 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.341 0 O4'-C4'-C3' 109.401 3.801 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 1 O4'-C1'-C2' 101.689 -4.01 . . . . 2.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.884 0 P-O3'-C3' 124.308 3.84 . . . . 2.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . 0.416 ' C2 ' ' C2 ' ' B' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 C4'-C3'-C2' 98.925 -4.275 . . . . 3.37 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . 0.489 ' H21' ' NH2' ' P' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.214 2 O4'-C1'-N19 111.741 4.926 . . . . 4.79 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . 0.496 " H5'" ' HE ' ' P' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.815 1 O4'-C4'-C3' 109.985 4.385 . . . . 2.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 C4'-C3'-C2' 99.926 -3.274 . . . . 3.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.488 1 O4'-C1'-N19 111.849 5.062 . . . . 6.3 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 0 P-O3'-C3' 123.227 2.939 . . . . 5.72 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.011 0 P-O3'-C3' 123.375 3.063 . . . . 4.88 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.123 3 O5'-C5'-C4' 118.122 5.659 . . . . 3.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.416 ' C2 ' ' C2 ' ' A' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.272 1 P-O3'-C3' 124.563 4.053 . . . . 2.66 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 2 O4'-C1'-N19 111.832 5.04 . . . . 2.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . 0.457 ' H71' HE22 ' P' ' 50' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 123.538 3.198 . . . . 1.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.545 0 P-O3'-C3' 123.623 3.269 . . . . 2.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.929 0 P-O3'-C3' 124.14 3.7 . . . . 3.03 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 P-O3'-C3' 123.691 3.326 . . . . 3.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 112.462 5.827 . . . . 3.92 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.636 0 O4'-C1'-N19 110.375 3.219 . . . . 4.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 2 O4'-C1'-N19 111.661 4.827 . . . . 4.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O4'-C1'-N19 110.42 3.275 . . . . 4.95 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 109.66 -0.496 . . . . 19.95 109.66 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -75.57 66.51 1.94 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.452 -0.78 . . . . 21.86 111.297 174.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 tttm 176.99 120.01 0.03 OUTLIER 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.739 2.415 . . . . 19.94 106.091 159.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.489 ' NH2' ' H21' ' A' ' 12' ' ' ' DG' . 22.2 tpp180 33.63 66.86 0.22 Allowed 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 127.106 2.162 . . . . 13.2 110.813 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -35.33 -51.16 0.95 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.349 1.928 . . . . 8.87 111.784 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.496 ' HE ' " H5'" ' A' ' 13' ' ' ' DA' . 0.0 OUTLIER -19.39 -59.25 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.818 3.247 . . . . 8.03 114.945 162.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -170.12 89.45 0.16 Allowed 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 129.496 3.118 . . . . 5.34 108.091 -164.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -76.79 110.12 11.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.657 -1.238 . . . . 4.25 107.657 167.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -77.93 109.91 12.39 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.149 -1.426 . . . . 2.84 107.149 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.89 146.75 29.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.381 0.672 . . . . 3.37 112.408 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -24.28 -64.93 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 127.892 2.477 . . . . 8.27 113.756 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -47.93 -44.38 29.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.11 0.868 . . . . 4.2 111.885 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -62.96 -53.74 49.32 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.173 -1.417 . . . . 3.82 107.173 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -20.75 34.15 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.676 1.19 . . . . 2.35 113.923 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.31 -68.49 0.38 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.723 -1.236 . . . . 3.74 110.294 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.6 -33.33 70.93 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.026 -0.534 . . . . 3.73 110.143 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.41 -40.77 87.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 123.198 0.311 . . . . 2.1 110.566 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.79 -45.82 88.99 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.861 0.755 . . . . 3.83 110.926 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -62.57 -47.73 82.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 4.24 110.128 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -51.74 -58.42 6.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 122.001 -0.437 . . . . 3.27 109.881 169.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 34.0 t80 -48.25 -46.22 35.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.394 0.678 . . . . 3.13 111.332 -178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -52.25 -49.12 64.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.181 0.592 . . . . 4.53 110.192 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -69.81 -45.14 68.54 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.934 0.494 . . . . 5.31 112.069 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.32 98.92 1.88 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.524 1.53 . . . . 3.03 111.28 -163.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -63.65 -55.22 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.104 -1.073 . . . . 4.66 108.104 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -66.35 126.19 27.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.085 1.354 . . . . 3.66 107.988 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mp -107.55 135.12 49.54 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 105.304 -2.109 . . . . 3.06 105.304 162.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -57.36 136.19 56.57 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.976 -1.49 . . . . 4.89 106.976 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -33.42 -72.32 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.171 1.789 . . . . 7.11 113.709 -159.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -74.52 0.26 15.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.581 0.956 . . . . 11.06 113.581 -168.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.2 79.98 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.305 -1.497 . . . . 4.73 108.079 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -51.49 -43.27 62.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.935 -1.103 . . . . 4.72 110.352 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.36 -47.89 86.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 124.242 1.017 . . . . 2.85 109.501 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.09 -44.3 91.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 109.169 -0.678 . . . . 4.24 109.169 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -56.58 -52.13 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.515 -0.741 . . . . 2.41 109.632 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -43.34 61.88 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.005 0.922 . . . . 1.78 111.577 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -71.66 -50.2 32.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 119.651 -0.214 . . . . 2.5 110.78 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.43 16.23 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.267 0.84 . . . . 2.72 113.267 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 68.0 mt -106.31 -8.35 17.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.519 1.303 . . . . 2.37 114.519 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 66.51 53.93 0.92 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.173 0.897 . . . . 2.17 112.462 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 40' ' ' LEU . . . . . 0.437 ' HB2' HD11 ' P' ' 45' ' ' ILE . 17.3 mt -120.54 -172.26 2.34 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.886 2.074 . . . . 1.96 106.965 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.77 151.38 25.78 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.917 -1.114 . . . . 1.92 108.662 173.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.01 -50.8 10.5 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.885 0.874 . . . . 3.64 110.274 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -36.21 -60.62 0.55 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.318 1.847 . . . . 5.51 109.81 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.13 -32.42 73.98 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.985 0.914 . . . . 2.32 110.798 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 45' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' P' ' 40' ' ' LEU . 9.4 mm -74.34 -25.29 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.188 -0.945 . . . . 1.43 110.898 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.91 -60.22 3.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.193 -1.567 . . . . 2.5 107.111 164.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -57.98 -53.42 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 124.888 1.275 . . . . 1.04 111.696 -162.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -50.1 -46.69 53.82 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.097 0.951 . . . . 1.55 110.167 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -69.17 -47.32 65.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.773 -0.579 . . . . 1.53 110.099 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 50' ' ' GLN . . . . . 0.457 HE22 ' H71' ' B' ' 21' ' ' ' DT' . 23.4 tt0 -54.15 -57.99 9.06 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.461 1.104 . . . . 3.68 108.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -48.39 -54.49 13.82 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.112 1.365 . . . . 4.03 112.143 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 52' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 6.2 mpt_? -53.29 -54.89 29.73 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 121.274 -0.17 . . . . 3.55 111.084 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -49.56 -55.86 11.98 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.434 1.094 . . . . 4.83 111.593 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -59.36 1.84 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.11 1.364 . . . . 2.56 110.478 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -68.87 -50.28 51.13 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.127 -0.488 . . . . 5.42 109.754 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -43.95 -40.69 4.82 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.358 1.463 . . . . 2.73 111.8 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -57.32 -53.21 60.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.798 -0.564 . . . . 5.0 110.632 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -56.48 -42.94 79.12 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.572 0.624 . . . . 8.54 109.516 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -78.2 -45.4 23.17 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.943 1.09 . . . . 4.81 113.943 -167.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER -86.64 64.87 8.75 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 122.485 1.136 . . . . 5.74 111.94 -155.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 pttp 53.78 58.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.537 1.935 . . . . 11.11 111.172 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.1 p -105.27 65.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.586 0.754 . . . . 13.09 109.846 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -67.22 176.29 2.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.723 -0.844 . . . . 15.51 108.723 161.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.0 -45.46 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.361 -0.837 . . . . 20.65 111.493 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -28.9 118.47 0.28 Allowed Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 127.972 2.509 . . . . 21.21 110.141 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -45.14 123.46 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.366 2.71 . . . . 25.52 111.943 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 107.616 -2.193 . . . . 24.51 107.616 -176.076 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 2 C4'-C3'-C2' 97.424 -5.776 . . . . 5.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.986 3.982 . . . . 6.35 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 123.97 3.559 . . . . 5.84 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C4'-C3' 108.314 2.714 . . . . 3.82 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.254 3.067 . . . . 2.65 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.371 1 P-O3'-C3' 124.958 4.382 . . . . 2.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 111.839 5.049 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 0 OP1-P-OP2 115.246 -2.902 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.513 " H2'" ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.914 2 O4'-C1'-N19 111.693 4.866 . . . . 1.53 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.513 ' H72' " H2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C4'-C3' 108.269 2.669 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.798 4.997 . . . . 2.82 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 0 C1'-O4'-C4' 105.686 -2.867 . . . . 3.28 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.986 0 N19-C1'-C2' 108.33 -3.668 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 2 P-O3'-C3' 125.767 5.056 . . . . 3.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.96 1 O4'-C1'-N19 113.388 6.985 . . . . 3.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.536 1 O4'-C1'-N19 112.4 5.75 . . . . 3.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.754 0 O4'-C1'-N19 110.704 3.63 . . . . 3.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 0 O4'-C1'-C2' 102.072 -3.662 . . . . 3.09 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 P-O3'-C3' 123.624 3.27 . . . . 2.89 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 3 O4'-C1'-N19 112.339 5.674 . . . . 2.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 1 P-O3'-C3' 125.281 4.651 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.223 0 P-O3'-C3' 124.005 3.587 . . . . 2.43 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.631 3.276 . . . . 2.88 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.074 0 P-O3'-C3' 124.417 3.931 . . . . 2.3 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 0 O4'-C1'-C2' 102.216 -3.531 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.663 2 O4'-C1'-N19 113.204 6.755 . . . . 2.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.466 3.332 . . . . 3.53 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 1 O4'-C1'-N19 112.916 6.395 . . . . 4.89 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 17.6 mtt . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 109.22 -0.659 . . . . 15.7 109.22 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -50.76 119.85 4.24 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.214 1.006 . . . . 13.86 110.367 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -60.78 151.22 30.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.136 0.493 . . . . 12.35 111.552 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -119.67 154.08 34.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.657 -2.349 . . . . 7.89 104.657 157.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.47 167.82 39.1 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 108.923 -1.671 . . . . 5.11 108.923 166.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.21 -165.86 1.21 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.077 -1.823 . . . . 5.21 106.077 147.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -160.94 111.64 1.77 Allowed 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.175 -0.953 . . . . 6.49 111.008 -163.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.32 89.15 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.843 -1.54 . . . . 6.6 106.843 154.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -48.52 148.44 2.02 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.679 1.192 . . . . 4.17 110.632 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -69.28 157.49 36.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.9 -0.5 . . . . 3.87 110.236 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -54.65 -52.43 62.34 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.465 -0.939 . . . . 7.58 108.465 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -46.11 -54.71 8.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.309 1.044 . . . . 3.61 111.697 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -59.13 -56.09 26.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.792 -0.447 . . . . 3.56 109.792 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.45 -39.16 64.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.73 0.3 . . . . 3.31 110.881 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.56 -54.59 35.27 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.31 1.044 . . . . 4.33 112.983 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.55 -30.63 33.03 Favored 'General case' 0 CA--C 1.522 -0.126 0 O-C-N 121.88 -0.513 . . . . 3.6 110.843 -175.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.85 -50.22 73.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.675 -0.491 . . . . 2.05 109.675 172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -58.5 -39.37 79.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.459 -0.776 . . . . 4.6 111.55 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -53.89 -60.65 3.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.166 -0.445 . . . . 6.57 109.915 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.77 -39.89 78.49 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.331 0.969 . . . . 3.49 110.444 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.08 -37.76 72.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.934 -0.479 . . . . 2.35 111.937 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -76.79 -50.62 13.07 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.117 0.967 . . . . 5.65 110.115 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.62 -37.92 80.13 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.56 1.544 . . . . 4.48 111.46 -167.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.9 -111.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.801 1.641 . . . . 3.81 106.667 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -161.07 -52.0 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 120.371 1.441 . . . . 4.69 109.951 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.46 9.31 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.892 0.701 . . . . 7.88 112.892 -156.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.43 150.3 0.1 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.351 1.46 . . . . 2.75 109.354 -171.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -67.87 -72.76 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.048 0.939 . . . . 4.07 109.976 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -159.43 -88.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 6.15 107.404 171.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -52.01 -32.67 34.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.804 2.093 . . . . 7.28 113.401 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -44.53 -35.96 2.76 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.381 0.992 . . . . 3.94 112.037 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -50.39 -55.1 17.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.42 1.488 . . . . 3.34 110.796 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.49 -48.78 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.067 0.947 . . . . 2.74 108.53 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.0 -39.08 93.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.624 0.37 . . . . 3.68 111.573 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -57.57 -58.75 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 125.173 1.389 . . . . 2.18 108.277 170.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.48 55.45 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.73 -0.668 . . . . 1.89 111.054 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.72 -52.37 63.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.179 0.591 . . . . 2.99 110.884 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.85 3.78 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.495 0.718 . . . . 2.39 110.628 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.28 -16.94 63.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.598 0.759 . . . . 2.21 111.533 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m 64.18 38.92 7.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.861 2.064 . . . . 2.43 110.772 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.44 179.82 4.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.711 1.605 . . . . 1.86 107.691 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -89.09 146.84 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.291 1.037 . . . . 2.1 109.759 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -46.51 -44.11 17.42 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 118.439 0.563 . . . . 3.3 109.961 170.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttm105 -46.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.347 0.659 . . . . 3.51 109.856 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -55.36 -41.14 72.15 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.726 -0.609 . . . . 4.88 110.491 -172.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.51 -52.65 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 109.976 -0.379 . . . . 1.45 109.976 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -53.8 -48.36 69.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 120.928 -1.107 . . . . 2.46 109.5 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.734 0.697 . . . . 1.01 111.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -53.83 -59.65 4.35 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.106 0.866 . . . . 2.01 109.838 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.94 -50.4 74.21 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.466 -0.772 . . . . 1.43 110.443 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -43.2 -68.6 0.18 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.707 1.603 . . . . 3.69 109.469 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . 0.263 21.0 p30 -66.7 -38.86 87.6 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.103 -0.373 . . . . 3.84 111.705 -166.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -55.6 -54.35 45.21 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.417 -0.586 . . . . 2.94 109.417 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttp85 -56.3 -37.96 70.6 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.967 -1.083 . . . . 4.22 111.716 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.81 -46.86 80.24 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.163 0.506 . . . . 2.05 110.065 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -93.21 41.32 1.08 Allowed 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.3 1.44 . . . . 4.77 111.702 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -148.71 146.81 28.28 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 125.419 1.488 . . . . 3.64 107.762 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 138.64 -66.22 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 1 C-N-CA 135.816 5.647 . . . . 8.95 106.77 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -55.59 -59.5 4.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.744 0.702 . . . . 7.22 109.262 171.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.51 53.94 2.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.042 0.937 . . . . 4.82 109.078 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -48.36 -51.22 27.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.003 0.742 . . . . 6.62 113.003 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -117.47 158.15 25.01 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 102.547 -3.131 . . . . 13.33 102.547 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.47 116.16 4.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 104.993 -2.225 . . . . 12.34 104.993 158.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -85.49 62.26 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 106.389 -1.708 . . . . 14.12 106.389 -172.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.81 41.2 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 110.17 -1.172 . . . . 16.72 110.17 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.56 126.83 71.41 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-O 118.611 -0.709 . . . . 18.23 109.39 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.96 176.17 7.28 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.712 1.608 . . . . 21.56 109.934 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.745 0 N-CA-C 109.992 -1.243 . . . . 22.17 109.992 179.279 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 1 O4'-C1'-N19 112.066 5.332 . . . . 5.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C4'-C3' 108.291 2.691 . . . . 5.89 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.065 0 P-O3'-C3' 124.394 3.911 . . . . 5.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.472 4 O4'-C1'-N19 113.569 7.211 . . . . 3.92 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.851 0 O4'-C1'-N19 110.814 3.768 . . . . 3.1 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.89 1 O4'-C1'-N19 113.734 7.418 . . . . 2.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 1 O4'-C1'-N19 111.891 5.113 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.648 0 O4'-C1'-C2' 102.391 -3.372 . . . . 1.26 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.108 1 O4'-C1'-N19 111.661 4.826 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 103.035 -2.786 . . . . 1.6 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.915 1 O4'-C1'-N19 111.64 4.8 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 0 O4'-C4'-C3' 108.496 2.896 . . . . 2.39 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 2 P-O3'-C3' 127.114 6.178 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 0 O4'-C1'-N19 109.546 2.182 . . . . 2.96 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 2 O4'-C1'-N19 112.101 5.376 . . . . 4.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.302 1 O4'-C1'-N19 111.012 4.016 . . . . 4.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 O3'-P-O5' 111.154 3.765 . . . . 3.67 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 2 P-O3'-C3' 124.607 4.089 . . . . 2.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 0 O4'-C1'-N19 109.841 2.552 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 2 O4'-C1'-N19 112.686 6.107 . . . . 2.69 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.519 1 P-O3'-C3' 126.539 5.699 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 0 N19-C1'-C2' 109.26 -3.087 . . . . 2.08 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 P-O3'-C3' 123.832 3.443 . . . . 1.88 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 C4'-C3'-C2' 99.998 -3.202 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.598 2.998 . . . . 3.7 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 1 O4'-C1'-N19 111.187 4.233 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 O4'-C1'-N19 110.263 3.079 . . . . 3.59 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 0 O4'-C1'-N19 110.738 3.673 . . . . 4.39 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 34.6 mtm . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 109.854 -0.424 . . . . 16.69 109.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -93.4 164.35 13.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.053 -1.092 . . . . 17.49 108.053 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -58.12 163.01 3.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.071 -0.714 . . . . 13.56 109.071 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -57.27 158.27 5.56 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.072 -1.085 . . . . 7.75 108.072 158.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.55 164.53 36.3 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 106.889 -2.484 . . . . 5.56 106.889 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -94.05 151.3 19.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.492 1.146 . . . . 5.52 110.412 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -80.87 179.75 7.68 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.24 1.016 . . . . 3.68 109.949 170.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -150.54 146.67 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.547 -1.649 . . . . 5.02 106.547 172.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -105.2 146.85 28.7 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.395 0.678 . . . . 3.52 110.808 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -70.48 -90.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.445 0.698 . . . . 4.44 109.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -172.94 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.714 2.406 . . . . 7.31 107.19 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -43.36 -48.76 7.01 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.198 1.399 . . . . 3.77 110.997 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.59 -56.99 14.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.573 -0.899 . . . . 3.24 108.573 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.08 82.97 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.808 1.243 . . . . 2.79 111.822 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.23 -47.12 72.54 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.474 -0.766 . . . . 3.31 112.346 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.77 -52.82 10.52 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 124.559 1.144 . . . . 5.09 110.044 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.56 -38.11 59.45 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.615 -1.175 . . . . 1.83 108.927 -164.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.53 -42.72 83.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.642 -0.661 . . . . 3.11 110.365 167.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -59.06 -48.83 80.15 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.459 -0.776 . . . . 4.84 110.681 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.6 -51.86 65.73 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 121.638 -0.664 . . . . 3.3 109.343 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 5.9 t80 -56.8 -43.89 81.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.421 0.629 . . . . 1.91 110.659 -175.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -64.16 -33.08 74.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.16 0.984 . . . . 5.0 111.318 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.77 -70.74 0.22 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.353 0.661 . . . . 3.88 109.38 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.81 -165.09 1.19 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.24 1.016 . . . . 4.38 109.551 170.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -118.72 -27.84 5.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.575 0.75 . . . . 3.97 112.831 -171.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -93.02 78.31 4.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.368 -0.975 . . . . 3.98 108.368 -176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.52 150.3 15.58 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.689 -0.804 . . . . 2.54 110.098 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -72.32 157.73 37.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.107 0.963 . . . . 3.86 108.434 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -64.21 -51.66 62.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 106.927 -1.509 . . . . 6.43 106.927 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -75.6 40.8 0.18 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.543 0.687 . . . . 6.29 111.592 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -129.6 -47.19 1.16 Allowed 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.503 -1.295 . . . . 4.92 107.503 143.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -62.15 -30.29 70.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.803 0.841 . . . . 4.42 112.275 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.18 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 107.722 -1.214 . . . . 2.59 107.722 167.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' P' ' 33' ' ' GLU . 22.1 mm-40 -49.45 -51.68 34.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.239 1.815 . . . . 4.08 110.245 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -41.31 -61.83 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 128.164 2.586 . . . . 2.03 110.687 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.01 57.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.824 0.85 . . . . 1.67 110.626 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -66.28 -41.55 89.69 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.235 0.541 . . . . 2.44 110.13 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.47 82.66 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 124.342 1.057 . . . . 2.19 111.918 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.0 mt -91.54 -14.19 30.78 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.044 0.538 . . . . 2.19 111.996 175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 39.6 m 51.85 67.35 0.98 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.994 0.917 . . . . 2.27 109.606 -164.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.94 155.55 45.88 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.51 -2.033 . . . . 1.78 105.51 165.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -69.37 150.97 46.72 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.761 -0.829 . . . . 2.11 108.761 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.54 -37.36 72.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.582 -0.699 . . . . 3.48 109.754 170.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -40.22 -69.41 0.13 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.204 1.002 . . . . 3.66 110.22 164.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.06 -37.97 72.59 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.675 -0.641 . . . . 2.19 111.169 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.61 -55.58 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.286 0.948 . . . . 1.15 110.371 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -48.81 -55.58 11.16 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.357 -0.979 . . . . 2.46 108.357 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.08 -47.53 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.182 0.993 . . . . 0.83 111.862 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -53.54 -51.91 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.171 -0.956 . . . . 1.33 108.935 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -62.26 -46.29 89.47 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 121.586 -0.696 . . . . 1.37 110.331 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -49.32 -58.49 4.99 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.203 1.401 . . . . 4.36 108.974 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -51.5 -51.36 55.81 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 122.385 1.088 . . . . 3.57 108.235 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 52' ' ' ARG . . . . . 0.412 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 18.3 mmt180 -62.33 -56.61 16.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.407 -0.815 . . . . 3.61 110.141 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -53.05 -44.86 67.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.139 1.375 . . . . 5.05 110.764 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -73.43 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.909 0.483 . . . . 2.21 110.258 171.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -55.14 -43.47 74.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.743 -0.598 . . . . 4.07 111.612 -168.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -47.31 -29.15 2.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.005 2.122 . . . . 2.77 113.568 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -45.38 -57.54 3.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.041 0.837 . . . . 5.64 111.932 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -65.01 -62.17 1.71 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 109.752 -0.462 . . . . 6.16 109.752 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -47.31 -46.82 25.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.692 0.997 . . . . 5.03 113.692 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -65.64 -29.15 69.69 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.231 -0.89 . . . . 5.62 113.393 -169.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -99.78 -6.27 27.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.163 0.801 . . . . 13.92 113.163 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -68.72 98.31 0.89 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 105.173 -2.158 . . . . 11.15 105.173 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? 63.6 96.48 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.97 1.308 . . . . 13.8 107.6 -157.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.36 -80.7 1.39 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.363 -1.495 . . . . 13.87 109.363 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -130.84 68.27 81.6 Favored Pre-proline 0 C--O 1.236 0.35 0 C-N-CA 124.235 1.014 . . . . 18.34 111.535 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.03 -65.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.129 0 N-CA-C 107.792 -1.657 . . . . 20.36 107.792 161.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 108.405 -1.878 . . . . 21.24 108.405 176.55 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 112.828 6.285 . . . . 4.92 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 0 O4'-C1'-C2' 102.659 -3.128 . . . . 4.74 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 O4'-C1'-N19 110.931 3.914 . . . . 4.5 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . 0.423 ' P ' HH12 ' P' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.098 0 O3'-P-O5' 110.46 3.4 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 1 P-O3'-C3' 125.105 4.504 . . . . 2.94 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 O4'-C1'-N19 110.133 2.916 . . . . 2.43 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.398 2 O4'-C1'-N19 113.4 7.0 . . . . 1.69 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C4'-C3' 108.654 3.054 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.978 0 O4'-C1'-N19 110.828 3.785 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.076 0 P-O3'-C3' 123.224 2.936 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.515 4.644 . . . . 2.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 1 P-O3'-C3' 124.85 4.292 . . . . 2.96 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 N19-C1'-C2' 108.845 -3.347 . . . . 2.13 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 P-O3'-C3' 123.161 2.884 . . . . 3.67 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 1 O4'-C1'-N19 112.119 5.398 . . . . 4.73 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.162 0 P-O3'-C3' 122.602 2.419 . . . . 4.1 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.515 0 O5'-C5'-C4' 115.739 3.957 . . . . 5.06 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.118 0 C4'-C3'-C2' 100.214 -2.986 . . . . 3.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 O5'-C5'-C4' 116.229 4.306 . . . . 2.92 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 1 P-O3'-C3' 126.213 5.427 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 123.394 3.079 . . . . 1.6 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.822 0 C5'-C4'-O4' 113.456 2.535 . . . . 1.9 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 P-O3'-C3' 123.906 3.505 . . . . 1.89 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 1 O4'-C1'-N19 111.429 4.536 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-C2' 103.219 -2.619 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.249 1 O4'-C1'-N19 111.662 4.827 . . . . 2.46 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.054 2.795 . . . . 3.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.329 0 P-O3'-C3' 122.449 2.291 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 108.374 -0.973 . . . . 20.85 108.374 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 67.82 101.29 0.05 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.8 1.64 . . . . 20.09 114.284 167.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -161.61 90.4 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.343 -0.848 . . . . 13.88 109.422 163.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.6 169.23 1.37 Allowed 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 121.871 -0.518 . . . . 8.81 112.014 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.41 75.27 0.02 OUTLIER Glycine 0 CA--C 1.526 0.766 0 CA-C-N 118.721 0.691 . . . . 5.74 114.211 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.93 134.29 56.95 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.749 0.819 . . . . 5.29 110.261 170.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 6' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' P' ' 8' ' ' TYR . 4.3 pt20 -100.47 174.83 5.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.484 1.513 . . . . 3.92 110.55 175.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m -90.94 109.07 20.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.459 -1.312 . . . . 4.48 107.459 163.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' P' ' 6' ' ' GLN . 66.2 m-85 -75.15 162.46 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.367 -0.975 . . . . 3.48 108.367 174.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -84.81 159.24 20.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.779 -1.193 . . . . 3.01 107.779 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -64.57 -51.19 64.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 107.661 -1.237 . . . . 6.53 107.661 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -37.68 -56.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.502 1.521 . . . . 3.85 113.148 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.74 -44.2 78.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.936 -0.706 . . . . 3.2 110.499 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -52.96 -42.94 65.97 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.111 0.564 . . . . 2.38 110.341 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.97 -48.82 51.96 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.085 0.954 . . . . 3.8 113.258 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -76.96 -30.06 55.86 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.606 0.639 . . . . 5.05 110.308 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -48.61 75.54 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.521 0.729 . . . . 2.22 110.032 172.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.93 -44.05 70.31 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.358 -0.839 . . . . 3.46 111.151 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.52 -32.5 73.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.266 0.626 . . . . 5.7 112.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.46 -41.24 93.61 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.264 -0.897 . . . . 3.27 109.036 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.63 -25.97 64.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.812 -0.555 . . . . 2.35 111.783 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.41 -53.91 30.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.469 -0.937 . . . . 4.56 108.469 172.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -57.98 -48.84 78.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.764 0.826 . . . . 4.62 111.351 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 164.14 28.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.405 1.082 . . . . 3.33 109.749 -158.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -116.03 -55.71 2.38 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.837 -0.54 . . . . 4.11 109.699 166.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -95.56 102.66 14.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.237 1.415 . . . . 4.16 109.673 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' P' ' 30' ' ' ARG . 6.3 mp -65.82 135.71 55.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.607 -1.257 . . . . 2.47 107.607 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -68.18 115.35 7.55 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.555 -1.646 . . . . 3.34 106.555 166.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 23.57 -98.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.956 2.102 . . . . 5.45 113.675 165.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -71.11 -18.52 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 118.758 -0.639 . . . . 7.75 111.544 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' P' ' 26' ' ' LEU . 28.3 tpt180 -46.07 -42.28 13.3 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 119.802 1.183 . . . . 3.9 109.449 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.476 ' HG2' HD22 ' P' ' 26' ' ' LEU . 11.2 mtm-85 -61.16 -38.37 86.21 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.314 -0.866 . . . . 4.14 111.768 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -68.43 -45.86 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 124.235 1.014 . . . . 2.95 109.474 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.06 -48.82 80.13 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 122.101 -0.374 . . . . 3.5 110.154 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.38 -56.87 3.09 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 C-N-CA 125.459 1.504 . . . . 2.2 109.068 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.28 18.86 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.26 0.624 . . . . 2.07 111.313 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -57.62 -51.2 70.48 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.837 -0.431 . . . . 2.71 109.837 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.09 -53.84 30.41 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.95 0.9 . . . . 2.51 111.255 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.32 -20.55 62.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.494 0.718 . . . . 2.21 111.814 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 63.8 m 66.78 51.27 1.05 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.815 1.646 . . . . 2.41 110.39 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.11 -151.96 0.49 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.909 1.684 . . . . 2.17 106.722 167.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 72.6 p -127.72 161.68 28.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.045 -1.095 . . . . 2.18 108.045 168.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -36.62 71.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.169 0.803 . . . . 4.3 113.169 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttm105 -37.72 -63.97 0.42 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.868 0.467 . . . . 3.98 111.181 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.54 -49.8 55.01 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 123.922 0.764 . . . . 2.88 110.966 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.74 -45.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.908 -0.775 . . . . 1.29 108.908 -174.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -52.13 -56.19 16.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.568 -0.707 . . . . 3.05 109.337 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -56.99 -47.16 83.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 O-C-N 123.238 0.336 . . . . 0.91 110.548 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -51.6 -58.94 4.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.709 0.766 . . . . 1.51 109.506 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -64.85 -51.29 62.84 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.022 -1.049 . . . . 1.75 111.183 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -41.19 -54.16 2.98 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.302 1.041 . . . . 3.8 110.399 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.0 -55.9 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.222 -1.029 . . . . 4.69 108.222 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -53.18 -40.29 64.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.992 0.917 . . . . 2.7 111.763 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -57.66 -18.1 18.56 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.898 -1.126 . . . . 5.02 113.696 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.97 -70.86 0.36 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.502 -1.296 . . . . 2.99 107.502 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -49.04 -40.4 31.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.985 1.714 . . . . 5.0 113.937 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -30.82 -43.93 0.05 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 126.591 1.956 . . . . 3.6 112.675 170.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -74.67 72.54 1.98 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.116 -0.698 . . . . 6.11 109.116 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp 142.87 -55.14 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.478 1 C-N-CA 132.228 4.211 . . . . 7.22 107.822 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.28 -29.5 61.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.748 0.647 . . . . 4.65 112.748 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -70.23 -30.54 67.63 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 122.114 -0.366 . . . . 5.75 111.572 -175.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt 57.87 12.13 1.62 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.293 1.437 . . . . 10.19 113.967 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -62.65 128.85 37.88 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.293 -1.373 . . . . 9.75 107.293 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? 46.23 33.08 1.67 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.74 1.216 . . . . 14.4 112.235 -170.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.7 -44.21 2.25 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.918 -1.114 . . . . 12.24 112.483 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 119.88 80.93 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.262 1 C-N-CA 132.797 4.439 . . . . 15.35 105.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -48.52 -65.56 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 124.395 3.397 . . . . 18.31 113.207 -169.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.545 0 N-CA-C 110.912 -0.875 . . . . 19.47 110.912 -174.083 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 2 O4'-C1'-N19 114.914 8.892 . . . . 3.96 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.724 1 O4'-C1'-N19 111.074 4.093 . . . . 4.36 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.65 0 P-O3'-C3' 124.052 3.626 . . . . 3.74 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 1 O5'-C5'-C4' 115.954 4.11 . . . . 4.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.22 2 O4'-C1'-N19 112.765 6.206 . . . . 3.03 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-C2' 102.078 -3.657 . . . . 2.11 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 1 O4'-C1'-N19 113.715 7.394 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 P-O3'-C3' 123.584 3.237 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 111.302 4.378 . . . . 2.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 P-O3'-C3' 123.271 2.976 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.921 0 O4'-C1'-C2' 102.317 -3.439 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.965 1 O4'-C1'-N19 112.413 5.767 . . . . 3.5 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.011 0 N19-C1'-C2' 108.198 -3.751 . . . . 3.72 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.968 0 O4'-C1'-N19 110.69 3.612 . . . . 4.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 116.351 10.689 . . . . 6.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 2 O4'-C1'-N19 115.517 9.646 . . . . 7.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.714 6.143 . . . . 5.85 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.255 3 O4'-C1'-N19 116.172 10.465 . . . . 5.12 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.997 3.581 . . . . 3.57 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 1 C2'-C3'-O3' 121.628 4.084 . . . . 2.78 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 1 P-O3'-C3' 126.875 5.98 . . . . 2.06 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 109.982 2.728 . . . . 2.75 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 O5'-C5'-C4' 115.42 3.728 . . . . 2.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 1 P-O3'-C3' 124.541 4.034 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.568 0 O4'-C1'-N19 110.613 3.516 . . . . 4.08 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 111.184 4.229 . . . . 2.53 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 0 P-O3'-C3' 122.899 2.666 . . . . 3.14 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 C4'-C3'-C2' 100.187 -3.013 . . . . 4.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 108.382 -0.97 . . . . 15.42 108.382 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.51 72.4 1.38 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.505 -0.554 . . . . 18.94 109.505 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 155.73 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.618 0.767 . . . . 13.56 110.752 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 mtt85 -77.26 156.28 31.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.966 1.307 . . . . 9.85 108.775 168.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.13 -112.97 3.47 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 107.665 -2.174 . . . . 6.89 107.665 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 28.1 ttp-105 104.15 136.64 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 130.909 3.684 . . . . 7.63 106.23 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -153.89 108.61 3.1 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.256 -1.016 . . . . 4.64 108.256 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.66 21.8 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.293 -1.003 . . . . 5.97 108.293 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.37 159.81 14.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.179 1.392 . . . . 4.72 110.734 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -78.35 127.32 32.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 117.396 -1.287 . . . . 4.43 108.501 165.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -44.23 -43.06 6.99 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.911 0.757 . . . . 9.15 111.146 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -38.75 -51.51 1.7 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.754 1.221 . . . . 6.17 111.48 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.04 -58.02 10.33 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.634 -0.666 . . . . 4.44 109.287 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -52.33 -33.13 41.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.861 1.265 . . . . 4.37 111.788 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -59.95 3.83 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.972 0.909 . . . . 6.76 111.979 -168.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.52 -36.83 83.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.825 -0.75 . . . . 6.74 109.183 -173.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.3 mt -53.62 -44.93 69.89 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.77 1.228 . . . . 3.75 111.779 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.08 -48.35 61.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.43 1.014 . . . . 6.3 110.726 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.71 -40.84 97.75 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 110.074 -0.343 . . . . 8.49 110.074 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.28 -45.34 93.66 Favored 'General case' 0 C--O 1.224 -0.265 0 O-C-N 121.336 -0.853 . . . . 6.64 110.929 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.2 -48.48 81.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.563 0.619 . . . . 3.2 110.253 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.24 -43.02 74.18 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.795 -0.566 . . . . 6.84 109.66 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -65.05 -43.51 92.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.4 0.68 . . . . 6.28 112.456 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.77 151.74 20.52 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.906 0.883 . . . . 4.04 111.772 -161.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -116.93 -40.89 3.08 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.716 1.607 . . . . 3.64 109.617 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -91.37 101.34 14.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.491 0.716 . . . . 3.95 110.302 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.3 177.92 3.11 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.303 -0.999 . . . . 3.64 108.303 165.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 2.2 t -132.34 -177.88 4.67 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.184 -0.673 . . . . 5.24 109.184 159.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -85.39 41.54 0.9 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.908 0.883 . . . . 5.68 112.522 -158.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -129.03 -53.46 1.21 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.13 -1.433 . . . . 11.9 107.13 153.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -50.88 -39.55 54.36 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.067 0.849 . . . . 6.94 110.76 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -44.44 -49.25 9.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.226 0.61 . . . . 4.05 111.538 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.09 -49.02 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.632 1.173 . . . . 5.13 109.496 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -55.23 -46.92 76.0 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-O 118.574 -0.727 . . . . 7.6 111.562 -174.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.22 -60.05 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.355 -0.98 . . . . 4.02 108.355 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.99 -56.83 5.0 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.343 1.057 . . . . 3.32 110.123 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.28 -41.35 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.142 -0.974 . . . . 4.84 112.456 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.76 73.98 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.321 1.049 . . . . 4.75 110.053 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.35 -8.26 48.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.915 0.886 . . . . 4.11 111.444 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 66.13 37.07 5.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.659 1.984 . . . . 4.4 111.81 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.51 171.9 7.11 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.785 1.634 . . . . 2.7 108.778 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 37.3 p -101.1 152.44 20.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.156 0.982 . . . . 2.29 110.427 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -57.06 -39.32 74.69 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.35 -0.844 . . . . 4.98 111.812 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -43.07 -63.46 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 108.955 -0.757 . . . . 3.68 108.955 168.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.69 -45.94 81.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.076 -0.712 . . . . 2.22 109.076 -173.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.85 -37.84 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.791 0.723 . . . . 1.89 112.343 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -52.14 -61.93 1.96 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.559 -1.274 . . . . 4.19 107.559 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.07 -47.25 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 113.356 -1.747 . . . . 1.25 109.507 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -51.4 -54.3 27.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.97 0.908 . . . . 2.64 110.048 -168.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.06 -54.55 8.25 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 123.799 0.84 . . . . 2.27 109.033 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -47.63 -60.6 2.44 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 122.104 0.954 . . . . 5.86 109.839 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.39 -22.15 61.17 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.641 -0.662 . . . . 5.98 110.575 -167.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.56 -35.81 78.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.878 -1.139 . . . . 4.63 110.039 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -56.7 -29.9 62.9 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.774 -1.204 . . . . 3.92 111.145 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.0 mmt -89.63 -31.15 17.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.095 0.958 . . . . 2.56 110.282 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -57.46 -49.22 76.97 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.863 -0.792 . . . . 4.44 108.863 165.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.14 -179.26 0.14 Allowed 'General case' 0 N--CA 1.427 -1.59 0 C-N-CA 126.523 1.929 . . . . 4.39 107.352 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttt 62.6 -67.08 0.08 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 128.482 2.713 . . . . 5.34 109.797 -163.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -60.32 -71.45 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.197 -1.408 . . . . 8.94 107.197 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -94.42 57.19 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.831 -1.544 . . . . 7.57 106.831 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -43.99 -50.84 8.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.557 1.143 . . . . 6.3 113.386 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -77.25 81.17 3.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.745 -1.206 . . . . 10.79 107.745 168.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.42 114.78 1.33 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.15 -1.426 . . . . 12.29 107.15 166.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -79.88 -21.94 43.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.553 1.316 . . . . 18.81 114.553 -140.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.4 123.18 4.12 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.411 1.005 . . . . 17.42 111.93 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.46 106.24 38.26 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 125.425 1.49 . . . . 21.59 107.702 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.97 146.45 82.63 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.591 1.527 . . . . 23.39 111.449 -169.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.494 0 N-CA-C 107.602 -2.199 . . . . 27.48 107.602 178.137 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 1 C4'-C3'-C2' 98.607 -4.593 . . . . 5.63 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.336 1 O4'-C1'-N19 111.306 4.383 . . . . 5.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.42 0 O4'-C1'-N19 110.549 3.436 . . . . 5.09 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.939 1 O4'-C4'-C3' 109.805 4.205 . . . . 4.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 O4'-C1'-N19 111.665 4.832 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.452 0 O4'-C4'-C3' 108.249 2.649 . . . . 2.88 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . 0.464 ' H41' ' HG3' ' P' ' 50' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.377 2 O4'-C1'-N19 111.862 5.077 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 1 O4'-C1'-N19 111.254 4.317 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.898 0 O4'-C1'-N19 110.756 3.695 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 P-O3'-C3' 124.407 3.922 . . . . 2.09 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 C4'-C3'-O3' 118.524 3.738 . . . . 1.91 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.156 1 P-O3'-C3' 126.585 5.737 . . . . 3.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.102 2 O4'-C4'-C3' 110.212 4.612 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 0 P-O3'-C3' 124.119 3.683 . . . . 2.98 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 114.24 8.05 . . . . 4.94 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.521 3.402 . . . . 4.55 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 0 C4'-C3'-C2' 99.309 -3.891 . . . . 3.46 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.478 1 P-O3'-C3' 124.869 4.308 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . 0.454 " H2'" HG21 ' P' ' 47' ' ' ILE . . . . . . . . 0 C5'--C4' 1.54 3.592 0 O4'-C1'-C2' 102.077 -3.658 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 2 O4'-C1'-N19 111.62 4.775 . . . . 2.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 1 C4'-C3'-C2' 98.895 -4.305 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.762 0 N19-C1'-C2' 109.714 -2.804 . . . . 3.86 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 1 P-O3'-C3' 125.588 4.906 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 C4'-C3'-C2' 99.606 -3.594 . . . . 3.15 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.007 0 O4'-C1'-N19 110.966 3.957 . . . . 3.1 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.974 5.218 . . . . 3.74 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.42 0 O4'-C1'-N19 110.725 3.657 . . . . 3.88 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.441 0 P-O3'-C3' 123.731 3.359 . . . . 3.76 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 120.265 0.078 . . . . 28.46 110.816 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -133.74 80.35 1.87 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.425 1.09 . . . . 22.61 108.102 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -81.14 -142.24 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.105 -1.442 . . . . 22.36 107.105 165.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -44.29 138.78 2.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.874 0.869 . . . . 13.69 110.172 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 53.42 0.41 Allowed Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.762 1.172 . . . . 8.69 110.673 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -36.9 78.86 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 122.695 1.236 . . . . 8.11 111.232 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -118.26 158.88 24.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.086 -2.19 . . . . 3.96 105.086 152.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.95 143.85 33.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.232 1.413 . . . . 4.93 107.766 175.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.03 126.53 55.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.608 -1.626 . . . . 3.86 106.608 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -92.37 154.84 18.3 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.079 0.952 . . . . 4.9 112.706 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -42.31 -55.4 3.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.518 2.327 . . . . 11.54 111.89 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -62.88 -52.74 61.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.369 0.604 . . . . 5.6 111.408 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -30.09 69.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.406 -0.361 . . . . 6.22 110.833 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -65.25 -43.81 90.14 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.616 -0.678 . . . . 3.74 110.34 171.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -51.37 4.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.008 1.323 . . . . 6.19 113.523 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -45.97 -54.85 7.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 122.582 1.182 . . . . 7.1 109.669 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 mt -76.65 -31.08 57.11 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.559 -1.655 . . . . 3.23 110.348 -164.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.95 -48.75 67.12 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.561 -0.533 . . . . 5.16 109.561 168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.42 -52.67 56.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 119.021 -0.514 . . . . 6.07 111.185 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -48.78 -63.04 1.21 Allowed 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.19 -0.67 . . . . 4.42 109.19 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.5 -41.88 86.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.794 0.294 . . . . 2.13 111.794 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.53 -36.7 62.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.355 0.262 . . . . 3.83 110.838 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.62 -48.34 7.35 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.326 1.05 . . . . 5.19 112.167 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.83 145.95 12.62 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.592 1.557 . . . . 3.36 112.227 -161.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -107.24 -71.37 0.76 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.897 1.279 . . . . 3.86 111.93 -170.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.46 127.32 30.98 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.723 -0.611 . . . . 4.76 110.472 -168.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.71 164.31 11.92 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.917 0.865 . . . . 4.51 110.347 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -84.57 153.08 23.45 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.067 -1.086 . . . . 5.45 108.067 158.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -39.58 -64.58 0.46 Allowed 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.613 1.165 . . . . 5.85 111.138 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -65.14 -41.08 95.11 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 118.257 -0.878 . . . . 9.02 110.342 -167.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -51.57 -51.54 54.6 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.995 1.27 . . . . 7.82 109.938 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -26.84 68.74 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.98 -0.45 . . . . 5.51 111.421 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.08 -52.61 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.046 -1.033 . . . . 4.37 110.293 167.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -50.65 -49.36 57.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.922 0.889 . . . . 6.14 110.356 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.58 -53.69 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 122.16 0.981 . . . . 3.85 108.851 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.01 70.84 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.669 -0.696 . . . . 3.21 112.364 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -67.06 -52.22 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.606 -0.438 . . . . 4.13 110.467 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.97 22.7 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.526 1.13 . . . . 4.35 110.798 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 54.2 mt -80.39 -11.76 59.66 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.385 0.674 . . . . 4.35 111.938 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 21.2 m 56.68 58.27 4.23 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 4.11 109.496 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -133.35 169.15 17.35 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.144 1.778 . . . . 2.69 106.785 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.7 p -66.38 157.81 30.89 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.23 -0.655 . . . . 1.91 109.23 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -54.23 -44.97 72.16 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.232 -0.655 . . . . 4.09 109.232 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -55.82 -56.56 19.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 119.363 -0.351 . . . . 3.13 111.187 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -51.17 -40.42 58.57 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.291 0.496 . . . . 2.32 110.951 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.05 -56.06 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 O-C-N 121.772 -0.58 . . . . 2.09 110.931 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.95 -54.64 7.95 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 109.214 -0.661 . . . . 3.15 109.214 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 47' ' ' ILE . . . . . 0.454 HG21 " H2'" ' B' ' 19' ' ' ' DA' . 15.8 mm -62.37 -41.46 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.584 -0.446 . . . . 1.02 110.423 -174.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -52.12 -48.08 65.0 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.942 -0.473 . . . . 2.0 110.291 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -66.28 -60.63 2.6 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.722 -0.611 . . . . 2.46 110.944 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 50' ' ' GLN . . . . . 0.464 ' HG3' ' H41' ' A' ' 7' ' ' ' DC' . 1.0 OUTLIER -36.13 -56.89 0.73 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.686 1.995 . . . . 5.35 110.935 174.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.45 72.13 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.03 -0.419 . . . . 4.53 110.213 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -38.58 81.98 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.798 -0.445 . . . . 3.43 109.798 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -61.32 -57.9 10.44 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.058 0.943 . . . . 4.75 111.301 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mmt -51.8 -50.54 60.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.5 0.591 . . . . 2.21 109.491 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -47.72 -56.65 6.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.891 0.853 . . . . 4.13 111.248 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.04 101.91 1.51 Allowed 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 123.394 1.569 . . . . 3.41 109.137 -175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -157.66 -79.46 0.07 Allowed 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 129.24 3.016 . . . . 4.91 108.159 164.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -57.28 -40.83 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.735 0.779 . . . . 6.12 109.213 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.57 44.76 1.23 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.467 1.107 . . . . 4.47 112.456 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.94 69.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 106.859 -1.534 . . . . 5.4 106.859 148.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -32.45 -81.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.739 2.016 . . . . 10.24 113.503 -169.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 40.75 51.37 3.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.382 0.673 . . . . 10.97 109.522 -154.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -162.31 47.82 0.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.378 1.871 . . . . 14.51 108.651 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.92 -68.52 1.33 Allowed Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.545 -1.822 . . . . 14.89 108.545 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -72.73 149.71 90.57 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 118.366 -0.826 . . . . 17.74 109.603 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.84 140.3 6.94 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.84 3.027 . . . . 20.86 112.288 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 106.704 -2.558 . . . . 21.48 106.704 -173.12 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.89 1 O4'-C1'-N19 112.937 6.421 . . . . 4.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C1'-N19 112.26 5.575 . . . . 5.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.523 0 O4'-C1'-N19 109.702 2.377 . . . . 6.15 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.916 1 O4'-C4'-C3' 109.782 4.182 . . . . 5.12 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 OP1-P-OP2 115.516 -2.723 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 112.611 6.014 . . . . 2.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 0 O5'-C5'-C4' 115.57 3.836 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 P-O3'-C3' 123.73 3.358 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 2 O4'-C1'-N19 112.214 5.518 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.277 1 O4'-C1'-N19 111.488 4.61 . . . . 1.91 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.365 1 O4'-C1'-N19 115.899 10.124 . . . . 3.48 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.713 1 O4'-C1'-N19 112.759 6.199 . . . . 2.34 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.625 1 N19-C1'-C2' 107.465 -4.209 . . . . 3.3 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.998 3.998 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 113.695 7.369 . . . . 6.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.891 1 O4'-C1'-N19 113.738 7.422 . . . . 4.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.964 0 O4'-C1'-N19 110.661 3.576 . . . . 3.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.174 0 C1'-O4'-C4' 104.829 -3.479 . . . . 2.74 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.205 0 O4'-C1'-C2' 101.734 -3.969 . . . . 2.19 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 2 O4'-C1'-C2' 101.449 -4.229 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 2 C4'-C3'-C2' 98.62 -4.58 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 O4'-C4'-C3' 108.837 3.237 . . . . 2.62 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.422 0 P-O3'-C3' 123.781 3.401 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 O4'-C1'-N19 110.326 3.158 . . . . 2.09 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 2 O4'-C1'-N19 112.79 6.237 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 1 O4'-C1'-N19 112.614 6.018 . . . . 2.98 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-C2' 102.884 -2.924 . . . . 3.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.888 0 P-O3'-C3' 123.738 3.365 . . . . 4.79 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 108.954 -0.758 . . . . 17.67 108.954 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.94 142.53 54.69 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.409 -0.589 . . . . 14.88 109.409 172.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 170.45 21.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.252 0.621 . . . . 12.23 111.116 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -157.91 173.75 16.3 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 127.575 2.35 . . . . 7.1 106.006 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.21 -164.15 43.8 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.726 -0.95 . . . . 4.59 110.726 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtp-105 -56.22 104.14 0.13 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.003 -1.11 . . . . 6.72 108.003 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -68.14 162.64 24.34 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 105.961 -1.866 . . . . 3.81 105.961 163.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -117.02 126.49 52.96 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 107.669 -1.234 . . . . 5.07 107.669 154.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -76.6 134.66 39.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.591 -2.374 . . . . 3.23 104.591 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 59.6 p -67.28 159.17 29.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.028 -0.73 . . . . 3.88 109.028 -171.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -47.83 69.02 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.763 0.71 . . . . 9.01 110.148 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -48.16 -49.89 30.81 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.666 0.786 . . . . 3.71 111.65 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.73 -52.51 56.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.694 0.398 . . . . 3.19 110.144 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -56.39 -51.77 67.11 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.972 -0.381 . . . . 2.22 109.972 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.37 -46.72 13.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.964 2.106 . . . . 3.22 112.369 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.65 -62.97 1.31 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.02 -1.104 . . . . 4.89 108.02 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.92 -26.66 63.3 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.124 -1.853 . . . . 2.01 112.062 -161.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -51.08 -32.37 21.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.316 0.507 . . . . 3.59 110.794 167.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -82.05 -51.75 7.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.454 -0.573 . . . . 5.02 109.454 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -51.45 -51.28 56.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.665 0.786 . . . . 3.14 110.389 -173.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -58.3 -45.63 87.63 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.913 0.485 . . . . 2.09 111.468 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -62.91 -21.98 66.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 119.297 -0.382 . . . . 5.87 111.364 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.93 -44.94 10.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.898 1.279 . . . . 4.05 111.91 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 146.01 6.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.27 1.428 . . . . 2.92 109.116 -169.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -127.2 -58.63 1.27 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.838 -0.539 . . . . 5.33 110.036 -159.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.18 134.35 45.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.872 -1.899 . . . . 3.94 105.872 165.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.08 155.19 25.33 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.344 -0.984 . . . . 3.57 108.344 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.39 139.17 54.09 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 105.562 -2.014 . . . . 5.05 105.562 158.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -43.35 -58.93 2.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.322 0.965 . . . . 6.32 112.79 -169.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 -58.6 -23.72 59.35 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.276 -0.89 . . . . 5.84 113.111 -176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.17 -31.71 73.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.631 -1.918 . . . . 4.51 109.894 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -58.07 -49.89 75.35 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.226 -1.398 . . . . 4.64 107.226 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.65 -44.48 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.859 1.264 . . . . 3.11 110.916 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.29 -36.2 68.89 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.661 -1.275 . . . . 4.38 113.972 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.68 -53.11 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 108.694 -0.854 . . . . 2.56 108.694 167.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.02 -48.83 52.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.41 1.084 . . . . 1.93 110.535 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.81 -55.32 35.77 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.922 0.489 . . . . 2.65 110.302 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.55 -55.23 20.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.223 0.535 . . . . 2.66 110.946 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 mt -77.27 -13.48 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.132 0.79 . . . . 2.56 113.132 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.44 36.51 8.81 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.643 1.177 . . . . 2.3 110.481 -173.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.46 171.52 7.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.3 -1.37 . . . . 1.92 107.3 172.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -85.67 160.74 19.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.529 -0.545 . . . . 1.9 109.529 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.42 -48.91 77.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.932 -0.766 . . . . 3.69 108.932 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -44.38 -60.84 1.75 Allowed 'General case' 0 C--N 1.338 0.084 0 C-N-CA 124.415 1.086 . . . . 4.12 109.236 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -54.46 -40.25 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 119.658 -0.211 . . . . 2.43 111.33 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 mm -72.72 -19.78 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 O-C-N 119.981 -1.699 . . . . 1.53 112.81 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -64.58 -63.12 1.21 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.231 -1.543 . . . . 2.49 106.976 163.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -55.72 -45.26 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 114.636 -1.165 . . . . 0.92 111.011 -167.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -51.59 -43.35 62.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.293 -0.879 . . . . 1.62 110.799 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -75.84 -54.1 7.44 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.311 1.045 . . . . 1.94 111.364 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -48.04 -59.48 3.34 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.233 -1.025 . . . . 4.77 108.233 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.37 0.25 1.56 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 125.358 1.463 . . . . 3.51 112.767 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -97.1 -64.76 1.01 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 119.617 1.098 . . . . 3.16 108.374 163.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -54.09 -39.17 66.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.637 1.562 . . . . 5.58 112.128 -170.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -60.95 1.99 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.617 -0.883 . . . . 2.44 108.617 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -45.27 -38.37 5.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.727 2.411 . . . . 5.45 112.793 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -64.07 -140.67 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 128.299 2.64 . . . . 3.71 107.497 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 67.51 -67.26 0.18 Allowed 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 126.336 1.854 . . . . 5.06 107.613 -161.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -37.99 -57.75 1.01 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.645 1.978 . . . . 7.67 110.65 169.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -62.51 -70.67 0.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.788 0.835 . . . . 5.45 112.769 -171.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 30.46 78.75 0.03 OUTLIER 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.034 1.733 . . . . 4.78 112.555 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -72.82 108.72 5.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.196 -1.779 . . . . 11.86 106.196 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p 59.15 82.92 0.14 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 128.549 2.739 . . . . 11.15 110.144 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -45.48 142.77 2.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.212 1.405 . . . . 14.28 111.4 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.6 85.63 1.87 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.553 -1.419 . . . . 15.63 109.553 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -144.42 148.93 42.51 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 117.876 -1.059 . . . . 18.33 108.825 164.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -43.9 133.11 8.24 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 124.895 3.73 . . . . 22.0 113.323 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 107.869 -2.093 . . . . 22.49 107.869 -178.085 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.703 3.628 . . . . 4.78 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.844 0 O4'-C1'-N19 110.129 2.911 . . . . 6.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.187 1 O4'-C1'-N19 111.368 4.46 . . . . 4.18 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 1 O4'-C1'-N19 112.414 5.767 . . . . 3.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.812 0 O4'-C1'-N19 110.691 3.614 . . . . 2.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.389 0 O4'-C4'-C3' 109.219 3.619 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-N19 113.524 7.155 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C4'-C3' 109.06 3.46 . . . . 1.89 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 0 O4'-C1'-N19 110.187 2.984 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.885 0 P-O3'-C3' 123.161 2.885 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.549 1 O4'-C1'-N19 111.814 5.018 . . . . 3.65 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 2 P-O3'-C3' 125.663 4.969 . . . . 3.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.196 2.995 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.982 1 O4'-C1'-N19 111.204 4.255 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 112.366 5.708 . . . . 4.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.476 1 O4'-C1'-N19 111.761 4.951 . . . . 4.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 1 P-O3'-C3' 124.779 4.232 . . . . 4.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.241 0 P-O3'-C3' 123.126 2.855 . . . . 2.76 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C1'-C2' 102.043 -3.689 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 112.043 5.303 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 C4'-C3'-C2' 99.231 -3.969 . . . . 1.59 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.867 1 N19-C1'-C2' 107.679 -4.076 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 1 P-O3'-C3' 124.828 4.274 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 O4'-C1'-C2' 101.738 -3.965 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 111.118 4.148 . . . . 2.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 O4'-C1'-N19 110.896 3.87 . . . . 2.87 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.785 0 O4'-C1'-C2' 101.892 -3.825 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.428 0 P-O3'-C3' 124.048 3.623 . . . . 3.95 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 108.093 -1.077 . . . . 19.59 108.093 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -148.52 116.29 6.32 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.72 1.608 . . . . 19.54 107.788 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -147.21 177.8 8.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.381 1.072 . . . . 13.67 111.318 -175.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -137.45 150.14 47.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.707 2.003 . . . . 8.01 106.578 147.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.68 143.53 4.03 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.9 0.762 . . . . 5.39 112.943 165.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -60.62 -177.92 0.08 Allowed 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.597 1.559 . . . . 6.03 112.61 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.75 150.87 42.34 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.34 1.456 . . . . 3.83 107.628 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -95.3 88.66 5.21 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.405 1.082 . . . . 5.1 109.678 170.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -80.0 92.26 5.56 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.225 -1.398 . . . . 2.76 107.225 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.36 153.7 40.46 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 125.534 1.534 . . . . 2.8 110.706 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -46.09 -52.64 11.69 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.439 0.696 . . . . 6.77 111.861 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -43.96 -47.9 8.58 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.563 0.745 . . . . 3.31 112.108 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -72.68 -51.75 18.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.626 -0.879 . . . . 3.08 108.626 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -52.78 -34.22 52.29 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.581 -0.736 . . . . 2.1 111.201 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.63 -61.64 2.46 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.064 0.946 . . . . 3.17 110.865 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -66.5 -28.51 68.62 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.471 -0.891 . . . . 3.47 110.677 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.48 -48.24 64.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.595 1.158 . . . . 1.84 111.457 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.74 -19.55 65.94 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 120.75 -1.219 . . . . 3.47 112.011 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -73.68 -59.33 2.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.12 1.368 . . . . 5.32 110.565 167.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -45.6 -56.82 4.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.292 1.037 . . . . 2.88 110.272 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -43.16 -50.24 6.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.935 1.694 . . . . 2.08 111.614 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -56.72 -40.89 76.48 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.068 0.547 . . . . 4.06 109.924 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -69.21 -59.3 3.11 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.414 -0.804 . . . . 4.24 110.583 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.77 148.85 37.86 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.484 1.114 . . . . 2.93 111.774 -166.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -48.57 6.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.766 1.226 . . . . 3.96 109.108 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -83.73 133.04 34.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.333 -1.358 . . . . 3.42 107.333 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 127.92 48.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 105.413 -2.069 . . . . 3.3 105.413 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -78.6 165.72 23.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 119.055 0.843 . . . . 3.21 111.297 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -56.95 119.32 6.07 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.09 -1.818 . . . . 4.44 106.09 163.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 85.62 29.07 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 130.743 3.617 . . . . 5.89 111.677 -175.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -135.98 -47.66 0.66 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.779 1.232 . . . . 3.81 107.831 155.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -50.72 -56.37 12.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.696 1.198 . . . . 4.55 109.789 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.72 -49.4 35.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 123.63 0.772 . . . . 2.47 109.383 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -61.95 -45.25 94.5 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.791 -0.623 . . . . 4.24 110.889 -166.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' P' ' 37' ' ' ALA . 6.7 mt -70.73 -40.16 76.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 124.096 0.872 . . . . 3.08 110.868 174.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.82 23.89 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 110.057 -0.349 . . . . 1.63 110.057 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.92 -52.08 65.52 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.77 -0.581 . . . . 2.34 111.162 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' P' ' 34' ' ' ILE . . . -48.14 -54.3 13.79 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.841 0.856 . . . . 2.26 111.707 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -88.39 -4.05 58.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.139 1.376 . . . . 2.24 112.362 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 70.61 59.93 0.21 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.664 1.186 . . . . 2.34 111.073 171.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 31.5 mt -136.18 -179.21 5.53 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.754 2.022 . . . . 2.1 107.415 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -94.06 161.93 14.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.527 0.731 . . . . 2.28 109.852 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -46.18 -52.2 12.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.848 0.859 . . . . 3.78 111.189 173.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -49.56 -49.1 47.73 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.997 -0.371 . . . . 3.53 109.997 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.17 -41.4 97.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.78 -0.575 . . . . 2.64 110.728 -171.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.3 -54.23 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 121.453 -0.779 . . . . 1.16 109.255 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -46.61 -57.56 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.467 -0.771 . . . . 3.47 110.304 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mm -49.23 -59.33 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.91 110.631 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -49.02 -49.82 39.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.746 0.703 . . . . 1.32 110.089 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.74 -48.26 72.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.63 -0.669 . . . . 1.63 110.319 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.72 -55.53 33.71 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.802 -0.561 . . . . 5.04 109.796 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.8 -53.55 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.522 1.129 . . . . 3.48 110.05 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -39.67 66.99 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.316 0.579 . . . . 2.8 110.107 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -63.35 -47.77 80.74 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.119 -1.613 . . . . 3.55 112.355 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -56.21 -45.53 79.83 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.609 -0.682 . . . . 1.97 109.849 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.73 -58.82 5.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.456 1.102 . . . . 6.05 111.409 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -43.34 -27.52 0.26 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 126.926 2.09 . . . . 2.85 114.079 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -48.03 -54.16 13.91 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.625 0.648 . . . . 6.01 110.264 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.01 -43.94 82.32 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.118 0.961 . . . . 6.69 111.204 -175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.88 -29.09 70.31 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.93 0.892 . . . . 5.29 111.176 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -98.36 23.76 8.05 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.311 1.044 . . . . 6.55 110.34 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt 47.52 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 129.051 2.94 . . . . 11.48 111.766 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 5.6 t 35.83 -129.84 0.1 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.18 2.192 . . . . 13.4 110.475 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -133.43 171.4 14.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.654 1.582 . . . . 21.32 108.663 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.72 58.05 0.07 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 107.721 -2.152 . . . . 19.41 107.721 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -88.3 127.43 57.08 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 108.679 -0.86 . . . . 23.58 108.679 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -64.28 -166.82 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.183 2.588 . . . . 26.72 113.359 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.777 0 N-CA-C 106.686 -2.566 . . . . 29.53 106.686 166.01 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 113.576 7.22 . . . . 5.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 O4'-C4'-C3' 108.723 3.123 . . . . 5.92 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.638 1 O4'-C1'-N19 112.071 5.338 . . . . 6.43 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 112.341 5.676 . . . . 5.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 C4'-C3'-C2' 99.108 -4.092 . . . . 2.66 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C4'-C3' 108.637 3.037 . . . . 4.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 1 O4'-C1'-N19 111.698 4.873 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.179 4.224 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.151 1 O4'-C1'-N19 111.609 4.761 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C4'-C3' 108.756 3.156 . . . . 1.49 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.662 0 O4'-C1'-N19 110.566 3.457 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 0 N19-C1'-C2' 108.523 -3.548 . . . . 3.07 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 1 N19-C1'-C2' 106.822 -4.611 . . . . 2.61 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.337 0 P-O3'-C3' 124.115 3.679 . . . . 3.89 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.009 1 O4'-C1'-N19 113.401 7.002 . . . . 5.62 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 112.275 5.593 . . . . 4.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 P-O3'-C3' 123.753 3.377 . . . . 3.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 P-O3'-C3' 122.838 2.615 . . . . 3.12 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 P-O3'-C3' 124.048 3.623 . . . . 2.4 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 3 O4'-C1'-N19 112.824 6.28 . . . . 3.09 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 1 O4'-C1'-N19 114.184 7.979 . . . . 2.86 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 0 N19-C1'-C2' 108.19 -3.756 . . . . 2.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 P-O3'-C3' 123.72 3.35 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.985 0 O4'-C1'-N19 109.782 2.478 . . . . 2.34 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C4'-C3' 108.407 2.807 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-C2' 103.235 -2.605 . . . . 3.78 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.072 0 O4'-C1'-N19 110.854 3.817 . . . . 4.74 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 0 P-O3'-C3' 123.914 3.511 . . . . 5.74 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 107.165 -1.42 . . . . 21.36 107.165 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -56.63 134.33 54.45 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 108.437 -0.949 . . . . 18.46 108.437 172.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -104.09 149.89 24.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.431 0.692 . . . . 13.42 110.456 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -85.75 166.32 16.19 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.804 1.642 . . . . 8.5 108.41 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.05 114.75 0.79 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.616 1.579 . . . . 5.59 110.237 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -74.91 137.04 41.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.219 -0.66 . . . . 4.96 109.219 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.86 -179.46 7.29 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 125.065 1.346 . . . . 4.21 107.816 157.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -142.95 142.2 31.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 106.595 -1.631 . . . . 5.17 106.595 143.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -77.36 125.9 30.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.065 -1.087 . . . . 3.23 108.065 -175.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -61.82 142.18 57.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.459 -1.682 . . . . 4.03 106.459 153.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -46.44 -42.21 14.97 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.809 0.731 . . . . 6.3 111.351 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -39.09 -47.75 1.59 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.394 1.478 . . . . 4.94 113.1 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.11 -49.79 68.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.288 0.495 . . . . 4.08 109.67 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.54 -48.14 69.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.496 0.719 . . . . 2.73 110.811 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -44.27 -59.64 2.28 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.742 1.015 . . . . 3.64 113.742 -166.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.48 -25.64 64.17 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.079 -1.013 . . . . 4.83 112.144 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.88 -35.16 72.24 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.542 0.737 . . . . 1.95 109.536 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.29 -41.41 68.86 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.262 -0.899 . . . . 3.13 110.549 167.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.37 -38.04 68.61 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.9 0.48 . . . . 4.49 110.911 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.43 -49.2 70.54 Favored 'General case' 0 C--O 1.226 -0.154 0 O-C-N 121.233 -0.917 . . . . 3.27 110.119 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.01 -44.81 94.33 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.58 -0.526 . . . . 2.4 109.58 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -51.49 -58.66 5.66 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.744 -0.836 . . . . 5.06 108.744 171.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.73 -76.77 0.08 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.961 0.356 . . . . 4.61 111.961 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.11 93.91 4.68 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.555 1.942 . . . . 3.75 108.884 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -48.88 -44.08 39.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.169 -0.444 . . . . 5.06 111.792 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -105.05 131.2 52.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.759 1.224 . . . . 4.25 108.23 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.38 133.56 39.19 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.581 -0.699 . . . . 2.82 110.269 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -59.27 144.67 45.58 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 107.488 -1.301 . . . . 3.34 107.488 158.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -57.41 -38.51 74.43 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 120.7 -1.25 . . . . 4.55 109.596 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -67.15 64.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.8 1.64 . . . . 6.2 109.712 164.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 178.39 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.32 3.048 . . . . 3.88 105.027 171.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -51.62 -54.46 27.54 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 3.94 109.434 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.48 -47.12 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 124.282 1.033 . . . . 2.48 110.085 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.29 -45.05 67.09 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 3.6 108.543 -165.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.51 -43.24 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 123.556 0.743 . . . . 2.75 111.104 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.91 -47.74 31.98 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.483 -0.562 . . . . 1.99 109.483 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -62.98 -49.26 75.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.035 -0.507 . . . . 2.74 111.958 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 -67.66 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.751 1.22 . . . . 2.77 110.412 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.22 -20.46 65.69 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.937 0.895 . . . . 3.07 111.338 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m 63.9 53.16 1.96 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.889 1.276 . . . . 2.52 109.939 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.6 176.28 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.478 2.311 . . . . 2.14 107.505 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.8 p -77.76 158.62 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.297 0.57 . . . . 2.23 110.766 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.89 -47.17 71.39 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.058 -1.09 . . . . 4.19 108.058 167.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -38.06 -59.95 0.8 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 124.554 1.142 . . . . 3.6 110.945 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -50.96 -41.76 59.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 122.123 -0.361 . . . . 4.7 111.511 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.54 -2.07 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.304 -0.872 . . . . 2.55 111.729 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -77.15 -62.9 1.5 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 119.197 -2.19 . . . . 4.43 108.308 152.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -52.2 -54.63 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 126.242 1.817 . . . . 0.94 113.461 -168.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -55.85 -52.41 64.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.301 0.572 . . . . 1.58 110.524 -170.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -62.25 -55.96 23.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 123.09 0.556 . . . . 1.6 110.221 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -41.06 -66.17 0.36 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.688 1.595 . . . . 3.93 109.701 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -61.26 -51.32 69.4 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.716 0.806 . . . . 4.81 110.668 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -51.7 -31.18 25.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.082 0.953 . . . . 3.04 111.953 -166.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -51.19 -37.16 45.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.699 0.681 . . . . 4.74 112.717 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mmt -54.68 -33.48 60.88 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.663 -0.648 . . . . 3.7 111.795 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -103.25 -45.15 4.98 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.402 1.096 . . . . 3.79 110.953 -169.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.33 96.19 0.15 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 104.824 -2.287 . . . . 6.34 104.824 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -175.02 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 128.862 2.865 . . . . 9.23 106.914 163.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -85.22 -63.68 1.29 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.535 -0.913 . . . . 7.26 108.535 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.66 -10.46 59.8 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 114.343 1.238 . . . . 7.56 114.343 -165.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -79.27 41.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.523 -1.36 . . . . 8.37 111.339 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -165.03 72.48 0.19 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 130.823 3.649 . . . . 11.5 103.638 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -80.21 22.17 0.55 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.957 1.095 . . . . 15.66 113.957 -159.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -60.21 104.08 0.29 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.98 . . . . 22.23 111.119 -170.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.82 177.57 36.73 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 108.552 -1.819 . . . . 20.47 108.552 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -107.03 177.18 1.38 Allowed Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.251 1.42 . . . . 24.01 109.998 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -49.04 156.1 2.4 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.438 2.759 . . . . 28.19 113.863 168.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 106.339 -2.704 . . . . 27.78 106.339 -179.031 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.061 1 O4'-C1'-N19 111.561 4.701 . . . . 5.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.902 0 P-O3'-C3' 123.651 3.292 . . . . 5.09 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.419 1 O4'-C1'-N19 111.5 4.625 . . . . 4.19 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 0 C3'-C2'-C1' 107.57 3.479 . . . . 4.2 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 1 P-O3'-C3' 124.682 4.152 . . . . 2.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.691 0 O4'-C1'-N19 110.547 3.433 . . . . 2.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.692 3.615 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.855 0 O4'-C1'-C2' 101.859 -3.856 . . . . 2.16 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 112.197 5.497 . . . . 2.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 O4'-C1'-N19 109.952 2.69 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.593 3.491 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 0 N19-C1'-C2' 108.952 -3.28 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.53 1 N19-C1'-C2' 107.604 -4.122 . . . . 2.49 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 1 P-O3'-C3' 125.124 4.52 . . . . 4.78 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.835 2 O4'-C1'-N19 112.152 5.44 . . . . 5.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 1 O4'-C1'-N19 114.775 8.719 . . . . 6.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 1 O4'-C4'-C3' 109.917 4.317 . . . . 4.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.217 0 P-O3'-C3' 124.133 3.694 . . . . 4.53 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C4'-C3' 108.214 2.614 . . . . 3.72 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 2 O4'-C1'-N19 112.784 6.23 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 1 P-O3'-C3' 124.796 4.246 . . . . 2.6 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.929 3.912 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.863 0 P-O3'-C3' 123.325 3.021 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.952 0 O4'-C1'-N19 110.349 3.187 . . . . 3.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 P-O3'-C3' 122.477 2.314 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 112.291 5.614 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.803 0 O4'-C1'-N19 110.578 3.473 . . . . 4.85 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.905 0 P-O3'-C3' 124.384 3.904 . . . . 5.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 119.731 -0.176 . . . . 24.17 110.693 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.12 156.52 38.55 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.316 -0.865 . . . . 21.86 111.76 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -79.9 48.25 0.94 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.565 1.546 . . . . 14.56 110.683 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -127.65 149.19 50.31 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.852 1.661 . . . . 12.81 107.415 -170.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.45 86.11 0.15 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.792 -0.923 . . . . 6.33 110.792 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -158.06 152.32 24.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.208 -1.404 . . . . 5.64 107.208 161.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -105.59 164.87 11.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.65 1.18 . . . . 3.97 108.247 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 28.5 m -144.82 106.49 4.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.231 0.612 . . . . 4.06 109.671 168.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -63.76 142.16 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.694 -0.23 . . . . 3.34 110.596 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -74.82 -90.42 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.352 -0.61 . . . . 5.58 109.352 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -168.35 -49.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.324 1.45 . . . . 7.67 107.618 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -38.23 -48.1 1.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.002 1.321 . . . . 4.84 111.813 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.18 -66.43 0.46 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.498 0.719 . . . . 4.33 109.817 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -39.57 10.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.728 1.211 . . . . 3.03 111.928 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.97 -54.15 46.59 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.212 0.605 . . . . 4.67 112.467 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.72 -32.52 57.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 119.756 -0.777 . . . . 5.22 110.203 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.93 -52.04 46.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.75 1.22 . . . . 2.91 110.402 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.41 -52.91 33.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.274 0.63 . . . . 4.19 110.448 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -52.24 -52.97 49.36 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.624 0.37 . . . . 5.42 111.476 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.33 -41.58 93.86 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.381 -0.825 . . . . 4.69 110.507 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.09 -44.15 87.44 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.913 0.338 . . . . 2.26 111.913 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.23 -42.99 87.52 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.808 -0.558 . . . . 5.14 110.484 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.47 -75.7 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.882 0.372 . . . . 4.04 111.107 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.24 74.31 9.23 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.102 0.961 . . . . 3.42 110.051 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -52.7 -51.1 61.78 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.73 -0.606 . . . . 4.24 110.282 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -85.33 127.8 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.66 -1.608 . . . . 3.94 106.66 159.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 23.4 tp -105.33 108.18 19.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 106.374 -1.713 . . . . 3.09 106.374 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -62.52 145.01 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.359 -0.978 . . . . 3.1 108.359 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -48.77 -51.51 28.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.281 1.032 . . . . 5.9 112.855 -167.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -59.53 -48.07 83.09 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.154 -0.684 . . . . 8.4 109.154 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -54.54 -40.9 69.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.005 0.366 . . . . 3.9 110.367 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm105 -57.39 -47.31 82.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 121.009 -1.057 . . . . 3.45 111.362 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -54.95 -45.11 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.747 -0.464 . . . . 3.25 109.747 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.12 -54.93 41.19 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.5 -0.75 . . . . 5.27 111.507 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.59 -57.81 5.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 125.11 1.364 . . . . 2.72 109.19 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.86 -56.26 7.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.719 -1.128 . . . . 2.98 109.112 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.7 -40.77 96.22 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.261 -0.274 . . . . 3.25 110.519 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.42 72.83 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.187 0.595 . . . . 3.33 111.045 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 62.6 mt -83.85 -3.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.556 0.343 . . . . 3.14 111.158 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m 62.53 51.29 3.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.016 1.326 . . . . 3.46 110.872 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.61 -175.84 3.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 128.182 2.593 . . . . 2.49 107.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.5 p -102.94 153.47 20.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.786 0.803 . . . . 2.89 111.681 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.86 -48.22 67.24 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.371 -0.974 . . . . 4.6 108.371 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -56.97 -57.18 13.65 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.697 -0.229 . . . . 3.67 110.776 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -53.11 -46.04 68.55 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.336 -0.853 . . . . 2.87 111.042 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 110.194 -0.298 . . . . 2.4 110.194 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -48.99 -56.11 9.92 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.746 -0.835 . . . . 2.51 108.746 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mm -59.97 -40.16 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.066 0.546 . . . . 0.87 111.571 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -64.5 -49.67 70.42 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.927 -1.108 . . . . 2.09 109.107 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -58.41 -50.7 72.75 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.068 -0.716 . . . . 1.71 109.068 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.02 -58.24 6.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.073 1.349 . . . . 3.72 108.136 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.18 -63.87 0.98 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.419 -0.585 . . . . 4.18 109.419 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -56.84 -38.51 72.77 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.979 -0.451 . . . . 4.14 110.554 -173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -54.9 -44.47 74.19 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 120.711 -1.243 . . . . 3.97 113.292 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -59.06 6.03 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 107.342 -1.355 . . . . 2.51 107.342 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -53.75 -42.27 68.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.958 0.885 . . . . 4.84 111.561 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -49.02 -37.94 22.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.969 2.108 . . . . 3.38 112.604 -175.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -50.62 -61.5 2.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.76 0.709 . . . . 5.89 111.132 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -58.64 -53.94 52.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.847 0.859 . . . . 7.61 109.592 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -78.67 -15.02 58.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.854 1.057 . . . . 4.36 113.854 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -112.3 73.81 0.83 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.238 -1.393 . . . . 6.12 107.238 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -50.98 -51.12 55.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.557 -1.275 . . . . 11.55 107.557 170.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -147.13 -163.88 1.87 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.686 1.994 . . . . 12.02 106.263 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -116.28 145.64 43.01 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.977 -1.86 . . . . 16.42 105.977 166.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.22 -67.96 1.93 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 123.774 0.702 . . . . 14.47 112.3 -159.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.82 132.85 72.91 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-O 118.212 -0.899 . . . . 17.43 108.633 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -60.43 126.44 19.99 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.86 2.374 . . . . 20.5 109.434 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 108.081 -2.007 . . . . 21.72 108.081 -176.844 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.015 4.019 . . . . 3.96 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 P-O3'-C3' 123.764 3.387 . . . . 3.98 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.243 0 P-O3'-C3' 124.474 3.978 . . . . 5.19 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.934 1 O4'-C1'-N19 111.11 4.138 . . . . 4.63 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 2 C4'-C3'-C2' 97.458 -5.742 . . . . 3.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.306 0 O5'-C5'-C4' 114.804 3.289 . . . . 2.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 O5'-C5'-C4' 115.347 3.676 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.924 0 P-O3'-C3' 123.778 3.399 . . . . 1.92 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 2 O4'-C1'-N19 111.842 5.052 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 P-O3'-C3' 124.534 4.029 . . . . 3.07 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C4'-C3' 108.229 2.629 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.117 0 P-O3'-C3' 124.107 3.672 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 2 P-O3'-C3' 124.903 4.336 . . . . 2.68 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.671 0 O4'-C1'-N19 110.514 3.392 . . . . 4.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 2 O4'-C1'-N19 113.474 7.093 . . . . 5.15 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.532 1 O4'-C1'-N19 111.19 4.238 . . . . 4.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.362 1 O4'-C1'-N19 111.636 4.796 . . . . 3.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 1 C4'-C3'-C2' 98.57 -4.63 . . . . 2.65 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.182 0 O5'-C5'-C4' 113.871 2.622 . . . . 2.97 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.545 2 O4'-C1'-N19 112.484 5.855 . . . . 2.95 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 1 P-O3'-C3' 126.039 5.282 . . . . 2.06 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 O4'-C1'-N19 110.543 3.428 . . . . 3.83 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 P-O3'-C3' 125.035 4.445 . . . . 1.91 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.223 0 P-O3'-C3' 123.44 3.117 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.939 5.173 . . . . 3.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.928 3.91 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 O4'-C1'-C2' 102.091 -3.644 . . . . 3.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O5'-C5'-C4' 114.466 3.047 . . . . 4.77 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.703 0.287 . . . . 15.18 110.386 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -67.71 -24.96 65.45 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 114.447 1.277 . . . . 19.8 114.447 -172.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -75.18 161.23 29.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.543 0.737 . . . . 12.67 110.579 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.77 177.0 3.81 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.482 0.713 . . . . 8.2 109.363 165.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.0 99.01 0.18 Allowed Glycine 0 C--N 1.331 0.267 0 O-C-N 121.303 -0.873 . . . . 5.95 111.784 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -70.63 172.65 8.27 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.689 -0.486 . . . . 6.29 109.689 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.02 92.73 3.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.836 -1.172 . . . . 4.56 107.836 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 118.0 12.32 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.087 -1.079 . . . . 5.82 108.087 175.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -78.76 128.46 33.44 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.726 -0.609 . . . . 3.62 109.673 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -66.17 141.75 57.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.43 -1.322 . . . . 4.72 107.43 156.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -49.03 -36.74 18.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.112 0.965 . . . . 9.85 111.899 -175.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -43.38 -42.52 4.68 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.82 1.044 . . . . 4.96 113.82 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.08 -57.29 5.13 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.048 -1.093 . . . . 4.21 108.048 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -51.96 -36.17 48.62 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.207 1.403 . . . . 2.97 113.08 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -47.09 35.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.273 1.829 . . . . 4.91 111.762 -169.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.73 -61.5 1.91 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.755 1.264 . . . . 3.63 109.334 171.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.89 -33.08 75.01 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 112.638 -2.074 . . . . 2.64 110.023 -162.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.87 -49.91 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.483 0.583 . . . . 4.45 110.588 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.75 -46.4 82.34 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.524 -0.547 . . . . 5.9 109.524 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.17 -43.68 70.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.258 -0.401 . . . . 4.3 110.147 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.6 -39.95 95.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.433 0.56 . . . . 3.24 111.061 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -58.29 -34.97 71.12 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.357 -0.839 . . . . 5.08 110.119 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -46.86 23.84 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.467 0.707 . . . . 5.85 112.842 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.58 179.3 7.91 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 124.76 1.224 . . . . 4.31 110.051 -161.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.67 -54.76 2.58 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.876 0.871 . . . . 4.96 111.494 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -128.6 1.96 5.54 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.419 1.266 . . . . 5.68 114.419 -164.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.22 177.35 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 125.492 1.517 . . . . 3.58 112.177 174.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.7 m -97.59 145.86 25.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.75 -1.574 . . . . 4.25 106.75 159.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -42.05 -52.57 4.2 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.543 1.537 . . . . 5.67 110.955 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -42.16 -64.62 0.56 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.892 0.877 . . . . 6.94 111.683 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -59.07 -37.34 76.84 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 121.23 -0.919 . . . . 4.35 111.128 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -55.03 -45.68 75.21 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.39 0.996 . . . . 4.78 110.374 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.68 -51.04 77.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.341 -0.614 . . . . 3.16 109.341 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.72 -43.41 98.9 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.417 -0.802 . . . . 5.03 111.483 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.43 -58.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.276 1.43 . . . . 3.2 109.206 166.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.15 -52.0 22.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.337 0.655 . . . . 1.97 111.625 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -68.32 -44.13 76.04 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.631 0.651 . . . . 2.46 111.569 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.44 -53.97 52.11 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.818 0.847 . . . . 2.72 110.178 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.47 -25.12 62.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.136 0.574 . . . . 2.64 111.034 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 12.2 m 65.47 63.25 0.64 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.25 1.42 . . . . 2.14 109.154 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 75.7 mt -130.7 164.51 24.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.495 2.318 . . . . 1.61 106.209 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -76.75 153.3 35.14 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.69 0.757 . . . . 1.75 110.656 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.67 -42.1 92.14 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.489 -0.757 . . . . 4.16 109.066 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -36.82 -71.57 0.07 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.091 1.356 . . . . 3.31 109.251 163.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -50.35 -50.3 51.62 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.546 0.738 . . . . 2.08 112.091 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.05 -49.88 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 119.579 1.082 . . . . 1.29 109.83 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -49.59 -57.82 6.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.058 0.943 . . . . 2.2 109.1 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mm -51.41 -46.62 35.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 125.017 1.327 . . . . 1.08 112.849 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -55.39 -52.43 63.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.929 -0.767 . . . . 2.04 108.929 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -67.78 -42.7 81.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.067 0.547 . . . . 2.47 110.759 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -46.02 -58.82 3.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.572 0.701 . . . . 3.58 109.841 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -71.02 -43.47 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.134 -0.691 . . . . 4.73 109.134 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -54.09 -47.62 71.56 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.1 -0.333 . . . . 3.43 110.1 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -52.31 -58.8 5.54 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.023 -1.048 . . . . 4.58 110.672 171.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 34.9 mmt -50.54 -47.53 57.61 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.56 0.695 . . . . 2.28 111.027 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -67.2 -47.0 72.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.38 0.672 . . . . 3.87 109.795 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.18 -36.24 60.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 125.942 1.697 . . . . 2.71 111.437 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.01 -60.99 2.59 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.179 0.992 . . . . 5.89 110.621 -176.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -57.3 -53.46 57.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.97 0.908 . . . . 8.63 109.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -61.75 -61.2 2.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.69 0.757 . . . . 5.88 112.984 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -95.05 37.67 1.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.563 -0.744 . . . . 4.76 112.375 -127.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm 23.31 74.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.05 2.54 . . . . 8.57 111.944 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.9 t -141.59 131.48 24.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.181 -1.044 . . . . 12.0 108.181 -174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -135.12 150.29 50.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.139 -1.8 . . . . 19.62 106.139 166.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.18 168.98 21.21 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 107.609 -2.196 . . . . 18.85 107.609 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -164.52 81.37 1.31 Allowed Pre-proline 0 C--O 1.237 0.437 0 N-CA-C 108.073 -1.084 . . . . 23.79 108.073 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -55.67 132.64 53.33 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 N-CA-C 106.628 -2.105 . . . . 24.4 106.628 153.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.37 0 CA-C-O 118.399 -1.223 . . . . 27.37 110.881 177.334 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 113.767 7.459 . . . . 5.06 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.071 2.838 . . . . 4.67 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . 0.404 " H2'" ' C8 ' ' A' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.726 2 O4'-C1'-N19 112.406 5.757 . . . . 3.96 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . 0.404 ' C8 ' " H2'" ' A' ' 3' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.547 4.549 1 O4'-C1'-N19 111.89 5.113 . . . . 3.75 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.216 0 O4'-C1'-N19 110.503 3.379 . . . . 2.53 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 110.629 3.536 . . . . 3.64 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O3'-C3' 123.497 3.164 . . . . 1.36 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 P-O3'-C3' 124.046 3.621 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.533 4.667 . . . . 1.71 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 P-O3'-C3' 122.848 2.624 . . . . 1.61 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 112.516 5.895 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 0 P-O3'-C3' 124.097 3.664 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.365 0 N19-C1'-C2' 108.957 -3.277 . . . . 2.82 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 0 P-O3'-C3' 123.222 2.935 . . . . 4.27 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 1 O4'-C1'-N19 113.807 7.509 . . . . 6.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 1 C4'-C3'-C2' 99.027 -4.173 . . . . 4.95 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.05 1 O4'-C1'-N19 111.055 4.068 . . . . 2.83 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 122.527 2.356 . . . . 2.29 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.359 0 P-O3'-C3' 123.625 3.271 . . . . 2.58 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.911 2 O4'-C1'-N19 114.857 8.821 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.319 1 O4'-C1'-N19 112.947 6.434 . . . . 2.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 N19-C1'-C2' 108.924 -3.297 . . . . 1.98 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 P-O3'-C3' 123.323 3.019 . . . . 1.78 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.77 0 O4'-C1'-N19 110.872 3.84 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-C2' 101.82 -3.891 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 1 O4'-C1'-N19 112.32 5.65 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 1 O4'-C1'-N19 111.047 4.059 . . . . 3.1 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.782 0 O4'-C1'-N19 110.473 3.341 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 2.4 ppp? . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 119.752 -0.166 . . . . 16.64 111.188 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -66.78 129.06 38.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.285 -1.005 . . . . 19.58 108.285 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -77.1 160.64 28.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.135 -0.484 . . . . 13.9 111.196 -156.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -50.03 131.01 22.95 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 106.889 -1.523 . . . . 8.55 106.889 163.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.24 88.98 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.887 -2.085 . . . . 6.8 107.887 -157.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -63.8 151.29 42.62 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.908 0.883 . . . . 5.95 110.769 -171.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.71 57.47 2.21 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 128.835 2.854 . . . . 10.47 112.856 170.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -73.13 -27.58 61.76 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.444 -0.785 . . . . 6.17 111.782 169.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -33.09 135.21 0.1 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.741 2.416 . . . . 4.04 113.087 -161.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 150.27 42.98 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.739 0.816 . . . . 4.68 108.854 175.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -54.24 -42.91 70.4 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.285 -0.26 . . . . 6.44 111.242 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -39.86 -45.99 1.91 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.895 2.078 . . . . 4.67 112.367 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.94 -54.94 11.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.878 -0.786 . . . . 3.3 108.878 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -45.97 61.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.967 0.413 . . . . 3.34 110.824 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.05 -47.32 74.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 118.338 -0.839 . . . . 3.4 113.134 -170.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.74 -27.5 50.49 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.082 -1.047 . . . . 4.38 111.047 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.01 -44.97 90.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 118.59 0.632 . . . . 1.98 109.935 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -56.66 -30.96 63.92 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.892 -0.505 . . . . 3.01 111.628 170.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -76.44 -47.9 21.51 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.958 1.303 . . . . 4.94 110.205 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -52.89 -63.08 1.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.008 -1.479 . . . . 3.52 107.008 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -80.5 63.14 4.84 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 123.103 1.43 . . . . 3.01 110.702 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -168.13 -49.32 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 127.339 2.256 . . . . 4.43 105.332 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.09 -57.63 12.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.499 -0.556 . . . . 4.16 109.499 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 179.81 6.11 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.734 1.614 . . . . 2.73 110.454 -170.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -139.51 -54.54 0.56 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 123.234 0.614 . . . . 5.05 112.179 -174.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -96.03 122.31 38.71 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.629 -0.878 . . . . 3.88 108.629 -167.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.02 132.67 46.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.512 0.725 . . . . 2.89 109.87 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -65.71 153.26 42.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.139 -1.43 . . . . 4.18 107.139 165.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.62 -46.39 77.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.466 1.03 . . . . 5.29 109.836 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -65.93 9.68 0.13 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.494 1.118 . . . . 6.42 113.829 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -116.24 -49.42 2.68 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 119.964 -1.71 . . . . 4.31 108.41 158.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.12 -44.87 3.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.351 2.26 . . . . 4.97 111.62 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.04 -64.76 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.352 1.061 . . . . 2.65 108.648 170.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -49.25 -42.23 40.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.468 1.507 . . . . 4.94 113.566 -166.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.84 -55.11 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 124.389 1.056 . . . . 2.67 108.789 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.56 83.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.097 0.559 . . . . 1.86 111.703 -170.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -62.2 -50.41 71.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.787 -0.82 . . . . 2.65 108.787 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.44 -55.47 31.32 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.76 0.824 . . . . 2.6 111.194 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.38 -43.65 93.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.099 -0.704 . . . . 3.61 109.099 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m 72.49 45.06 0.37 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.381 1.872 . . . . 2.63 111.086 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.43 -120.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 105.118 -2.178 . . . . 2.97 105.118 152.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -146.13 164.24 32.82 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.587 1.085 . . . . 2.91 109.392 166.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.28 80.44 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.502 0.721 . . . . 4.09 110.155 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -52.23 -55.59 20.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.089 0.471 . . . . 3.69 109.772 173.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.36 -37.87 82.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.512 -0.743 . . . . 2.53 111.636 -169.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.96 -51.57 68.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.093 0.86 . . . . 1.36 110.308 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -45.31 -57.29 4.11 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 108.565 -0.902 . . . . 2.46 108.565 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.8 -41.89 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.388 -0.824 . . . . 0.82 111.527 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -59.56 -49.73 76.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.663 1.119 . . . . 1.47 109.251 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -61.89 -52.42 64.19 Favored 'General case' 0 C--N 1.334 -0.081 0 O-C-N 121.781 -0.574 . . . . 3.17 109.539 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -46.97 -63.59 1.0 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.152 1.381 . . . . 3.65 108.886 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -56.87 -58.99 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.425 1.09 . . . . 3.69 110.515 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.09 -47.92 74.28 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.051 -0.352 . . . . 4.48 110.051 -173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -68.13 -45.5 73.43 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.08 -0.387 . . . . 3.66 110.797 -176.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -39.69 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.228 -0.92 . . . . 3.19 110.36 -175.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -71.18 -40.18 71.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.218 1.007 . . . . 5.44 109.404 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.28 156.22 0.87 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 125.602 2.62 . . . . 3.11 109.509 166.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm 152.4 -121.56 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.857 2 C-N-CA 138.787 6.835 . . . . 5.31 103.343 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.44 -46.61 86.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.973 0.892 . . . . 10.85 109.247 -170.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -27.67 65.48 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 121.228 -0.92 . . . . 6.38 111.62 -170.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -97.4 1.9 49.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.496 1.044 . . . . 7.15 111.141 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -66.81 -63.76 1.0 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.04 -1.037 . . . . 9.29 108.715 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 78.9 p 60.98 -98.91 0.09 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.305 1.842 . . . . 9.75 113.774 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.59 -63.64 1.23 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.868 0.467 . . . . 15.84 111.814 -158.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.37 106.55 1.38 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.044 -1.623 . . . . 12.63 109.044 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -137.97 76.02 40.63 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 123.895 0.878 . . . . 16.16 110.241 -172.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.31 -144.57 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.52 2.813 . . . . 17.97 107.307 162.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 110.104 -1.199 . . . . 19.44 110.104 169.51 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.927 1 O4'-C1'-N19 111.96 5.201 . . . . 3.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C4'-C3' 108.572 2.972 . . . . 3.73 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 1 O4'-C1'-N19 111.522 4.652 . . . . 4.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 2 O4'-C1'-N19 113.846 7.558 . . . . 4.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.866 0 O4'-C1'-N19 110.629 3.537 . . . . 2.19 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 112.183 5.478 . . . . 2.67 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 0 C4'-C3'-C2' 99.303 -3.897 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 O4'-C4'-C3' 109.195 3.595 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.961 5.201 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 P-O3'-C3' 124.156 3.713 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.121 4.151 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 1 O4'-C1'-N19 111.5 4.625 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 0 P-O3'-C3' 124.246 3.788 . . . . 3.81 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 2 C4'-C3'-C2' 98.423 -4.777 . . . . 5.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 116.087 10.358 . . . . 7.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.494 0 C4'-C3'-C2' 100.172 -3.028 . . . . 4.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 112.713 6.142 . . . . 3.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.13 1 O4'-C1'-N19 113.049 6.562 . . . . 2.85 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.2 1 O5'-C5'-C4' 116.906 4.79 . . . . 2.22 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 3 O4'-C1'-N19 113.908 7.635 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 112.257 5.571 . . . . 2.63 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.325 0 O4'-C1'-C2' 102.543 -3.234 . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 P-O3'-C3' 124.52 4.017 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 P-O3'-C3' 123.45 3.125 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.017 2.772 . . . . 2.66 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 112.938 6.422 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 1 O4'-C1'-N19 111.272 4.339 . . . . 3.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.005 0 O4'-C1'-N19 110.634 3.543 . . . . 3.81 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 107.944 -1.132 . . . . 17.06 107.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -44.2 139.56 2.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.955 1.702 . . . . 16.01 113.199 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.48 -149.91 0.45 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.905 2.082 . . . . 14.75 107.143 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -65.86 171.66 4.21 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.413 -0.804 . . . . 8.37 109.986 161.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.04 88.93 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 109.833 -1.307 . . . . 5.31 109.833 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -59.14 144.14 46.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 4.97 109.832 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -116.02 175.51 5.51 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 127.034 2.134 . . . . 4.21 106.27 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 12.6 m -140.23 98.81 3.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 105.597 -2.001 . . . . 3.96 105.597 170.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.84 122.9 11.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 122.282 1.039 . . . . 2.7 111.956 -166.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.66 158.05 28.38 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.047 1.739 . . . . 2.89 110.005 174.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -48.97 -53.7 18.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.558 0.743 . . . . 6.21 110.609 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -40.93 -51.6 3.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.353 1.061 . . . . 3.61 111.971 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -69.24 -42.0 76.22 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.246 0.618 . . . . 3.25 110.515 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -63.62 -36.57 84.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.603 -0.686 . . . . 2.09 111.454 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -56.34 15.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.907 0.883 . . . . 4.71 111.053 -158.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.75 -33.96 76.81 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 118.835 -1.146 . . . . 3.6 110.713 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.15 -38.02 89.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.639 1.176 . . . . 1.89 111.601 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.84 -47.85 64.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.986 0.812 . . . . 3.34 110.364 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -67.71 -41.79 83.01 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.853 -0.594 . . . . 4.14 110.284 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.18 -61.24 2.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 118.485 0.584 . . . . 3.28 109.779 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -48.73 -53.26 19.64 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.96 0.904 . . . . 2.16 111.578 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.15 -47.91 81.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.337 -0.847 . . . . 4.09 110.067 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.44 -47.86 68.94 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.824 0.821 . . . . 4.25 111.469 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 105.62 2.43 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.775 1.63 . . . . 2.84 110.944 -163.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 ttp-105 -72.3 -53.87 11.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.143 0.977 . . . . 5.3 109.556 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -65.19 132.27 48.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.101 -1.814 . . . . 4.64 106.101 162.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.23 -92.76 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.393 -1.706 . . . . 4.9 106.393 170.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . 0.252 1.8 t -170.45 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.09 -1.007 . . . . 4.24 108.474 163.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -141.68 -75.35 0.3 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.709 -1.219 . . . . 8.73 107.709 162.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -79.79 59.39 3.1 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.86 -1.15 . . . . 7.68 110.087 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 27.2 mmm-85 -123.31 -47.7 1.99 Allowed 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.106 -1.442 . . . . 3.73 107.106 152.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -45.51 25.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.82 1.191 . . . . 5.69 113.313 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.5 -56.12 18.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 107.54 -1.281 . . . . 2.76 107.54 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.75 -42.45 79.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.262 1.425 . . . . 4.27 110.541 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.27 -50.7 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 119.379 0.991 . . . . 2.64 109.967 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.16 84.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.74 -0.664 . . . . 2.24 110.056 -172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.73 -56.1 6.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.563 0.745 . . . . 3.0 109.017 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.7 -65.3 0.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.909 1.684 . . . . 2.64 109.821 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.06 -18.77 63.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.842 -0.599 . . . . 2.26 111.745 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 57.38 55.59 5.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.943 0.792 . . . . 2.59 108.917 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -127.89 159.68 34.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 104.971 -2.233 . . . . 1.96 104.971 171.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -68.36 152.09 45.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.671 0.748 . . . . 2.47 109.81 -171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -45.26 65.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.548 -0.72 . . . . 5.59 109.654 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -46.42 -66.76 0.36 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.536 1.135 . . . . 3.66 109.957 168.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -49.86 -44.36 49.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.662 0.385 . . . . 2.09 111.372 -173.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.55 -55.94 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.405 0.548 . . . . 1.3 110.24 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -50.68 -54.45 22.98 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.128 -0.693 . . . . 3.23 109.128 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -53.59 -41.09 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.266 0.626 . . . . 0.83 111.235 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -60.35 -54.06 50.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.443 1.02 . . . . 1.45 110.606 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -59.38 -48.88 79.94 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.428 -0.795 . . . . 1.42 110.0 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.91 -47.16 77.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.997 0.919 . . . . 4.78 110.505 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.14 -55.78 24.44 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.518 -0.919 . . . . 3.3 108.518 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.96 -36.65 68.06 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 119.006 -0.521 . . . . 3.07 111.967 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.95 -53.48 56.35 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.548 1.067 . . . . 4.74 110.562 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -58.57 -37.03 74.88 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.028 0.751 . . . . 2.25 113.028 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -68.83 -47.06 66.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.319 1.057 . . . . 5.39 109.344 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -65.3 -173.51 0.14 Allowed 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 106.532 -1.655 . . . . 2.88 106.532 169.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 60.24 -70.48 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 127.515 2.326 . . . . 5.14 108.391 -158.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.94 -61.46 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.567 1.147 . . . . 7.24 109.667 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -86.42 41.77 0.96 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.685 -0.634 . . . . 4.38 110.921 176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -130.97 72.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.878 -0.514 . . . . 5.8 110.172 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -69.18 -65.37 0.72 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.767 -1.198 . . . . 8.84 107.767 167.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 48.88 38.58 12.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.568 1.147 . . . . 10.57 111.69 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -139.54 -177.93 5.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.775 -2.306 . . . . 13.99 104.775 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.45 48.0 5.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 107.774 -2.131 . . . . 14.87 107.774 -157.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.99 159.03 41.19 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 127.454 2.302 . . . . 18.1 107.027 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.93 -35.54 89.68 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.323 2.015 . . . . 21.33 112.603 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.479 0 N-CA-C 107.687 -2.165 . . . . 21.11 107.687 175.264 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.007 1 O4'-C1'-N19 111.391 4.488 . . . . 4.15 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 P-O3'-C3' 123.798 3.415 . . . . 4.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.674 0 C1'-O4'-C4' 104.614 -3.633 . . . . 5.05 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . 0.428 " H2'" ' C8 ' ' A' ' 5' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.028 0 O4'-C1'-N19 110.361 3.202 . . . . 3.61 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . 0.428 ' C8 ' " H2'" ' A' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.792 3.74 . . . . 2.73 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.058 0 O4'-C1'-N19 110.781 3.726 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 C3'-C2'-C1' 106.278 2.556 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 0 P-O3'-C3' 123.71 3.342 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 P-O3'-C3' 123.837 3.447 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O4'-C1'-C2' 102.68 -3.109 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.387 1 O4'-C1'-N19 113.566 7.208 . . . . 3.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C4'-C3' 108.647 3.047 . . . . 3.62 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 N19-C1'-C2' 109.181 -3.137 . . . . 2.12 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 C4'-C3'-C2' 100.124 -3.076 . . . . 2.95 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 1 O4'-C1'-N19 112.971 6.464 . . . . 4.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.214 1 O4'-C1'-N19 112.815 6.269 . . . . 3.74 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 1 O4'-C1'-N19 111.132 4.165 . . . . 3.09 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 2 O4'-C1'-N19 112.747 6.184 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 1 O4'-C1'-N19 111.678 4.848 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.775 1 O4'-C1'-N19 111.405 4.506 . . . . 2.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 0 P-O3'-C3' 123.402 3.085 . . . . 1.65 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 O4'-C4'-C3' 108.636 3.036 . . . . 2.07 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.67 0 P-O3'-C3' 123.919 3.515 . . . . 2.61 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 O4'-C1'-N19 110.064 2.83 . . . . 3.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.178 0 O3'-P-O5' 110.313 3.323 . . . . 3.04 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C1'-N19 113.39 6.988 . . . . 3.43 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.603 3.503 . . . . 4.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 C1'-O4'-C4' 105.302 -3.141 . . . . 3.93 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 80.4 mmm . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 108.149 -1.056 . . . . 18.87 108.149 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -84.05 141.02 31.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.176 1.39 . . . . 14.43 109.387 -176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -83.29 -179.64 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.852 0.861 . . . . 12.5 110.599 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -54.74 169.97 0.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.56 1.944 . . . . 6.81 112.322 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -33.34 -85.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 127.205 2.335 . . . . 5.62 116.238 -167.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . 0.265 1.7 ttt85 24.58 117.29 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.974 3.31 . . . . 5.95 117.16 -161.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -99.08 164.21 12.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.656 2.382 . . . . 4.64 106.976 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -143.34 144.28 32.01 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.919 -0.771 . . . . 5.63 108.919 148.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.56 115.75 26.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.907 -0.496 . . . . 4.21 111.847 -163.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 63.0 p -56.28 155.98 6.26 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 109.585 -0.524 . . . . 4.41 109.585 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -49.94 -50.61 45.98 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.956 -0.387 . . . . 7.96 109.956 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.48 -51.32 36.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.723 -0.611 . . . . 5.16 110.536 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -82.2 42.86 0.76 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.683 -0.636 . . . . 3.82 111.132 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -146.72 -55.05 0.25 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 3.75 105.945 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -40.88 -43.69 2.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.969 2.108 . . . . 4.33 115.166 -172.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.64 -35.67 14.08 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 119.073 0.851 . . . . 5.32 112.076 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.28 -33.78 63.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.923 0.889 . . . . 3.68 110.06 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.3 -60.16 2.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 4.82 111.601 169.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -66.79 -36.69 83.0 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 119.434 -0.317 . . . . 7.64 111.287 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -58.3 -54.03 51.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 120.425 -0.51 . . . . 4.93 110.458 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.02 -44.92 61.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.271 0.487 . . . . 3.7 109.756 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -57.15 -58.26 8.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.374 -0.346 . . . . 6.52 111.005 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.22 -57.05 10.6 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.895 0.771 . . . . 7.24 111.231 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 112.0 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.895 1.678 . . . . 4.22 111.048 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -71.28 -51.09 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.143 -1.058 . . . . 6.61 108.143 160.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.88 78.22 4.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.301 -0.629 . . . . 4.6 109.301 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.35 125.93 25.54 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.668 -1.234 . . . . 3.88 107.668 162.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 145.24 20.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.872 -1.159 . . . . 5.49 107.872 161.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -44.96 -64.16 0.77 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.554 0.742 . . . . 6.79 110.064 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -83.61 42.55 0.85 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.981 -1.075 . . . . 8.01 112.043 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -114.47 -52.82 2.7 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 106.23 -1.767 . . . . 9.26 106.23 146.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -50.83 -41.73 57.89 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.688 1.195 . . . . 4.69 111.971 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.64 -48.57 86.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 120.901 -1.125 . . . . 4.25 109.835 172.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.9 -36.78 75.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.612 1.165 . . . . 6.02 112.407 -174.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 32.6 mm -47.39 -55.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.377 0.608 . . . . 3.88 110.014 168.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.64 65.36 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.657 1.183 . . . . 3.37 109.824 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -57.25 -56.46 21.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.377 -0.231 . . . . 5.01 110.377 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.47 -55.69 20.24 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.816 0.846 . . . . 4.32 111.592 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -75.18 -17.93 60.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.186 -0.461 . . . . 3.85 111.003 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m 59.41 60.15 2.4 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.346 1.458 . . . . 4.5 108.953 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -126.5 162.51 25.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.961 -1.866 . . . . 3.02 105.961 171.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.76 151.99 41.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.816 -0.809 . . . . 3.17 108.816 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 42' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' P' ' 42' ' ' GLU . 0.0 OUTLIER -51.34 -48.01 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.967 0.907 . . . . 4.98 110.567 178.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -49.68 -55.61 13.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.678 -0.86 . . . . 3.02 108.678 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -51.28 -48.29 62.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.273 0.559 . . . . 3.86 110.888 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -54.93 -49.13 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.221 0.534 . . . . 2.15 109.714 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -48.54 77.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.727 -0.608 . . . . 2.9 110.257 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.89 -49.1 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.144 0.578 . . . . 0.89 110.1 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -47.76 -52.32 19.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.864 0.756 . . . . 2.52 109.352 175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -62.68 -58.81 6.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.92 -0.488 . . . . 3.1 110.1 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -59.01 -49.65 77.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.386 0.674 . . . . 4.85 110.05 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.95 -50.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.95 -0.759 . . . . 3.97 108.95 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -60.28 -32.34 71.1 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.453 -0.573 . . . . 3.86 109.453 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -50.88 63.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.371 -1.455 . . . . 4.66 111.333 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -51.9 -44.75 63.91 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.899 0.857 . . . . 3.11 110.566 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -57.72 -64.86 0.75 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.31 1.444 . . . . 5.88 110.626 169.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -46.71 -33.16 4.09 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 128.227 2.611 . . . . 3.19 113.381 -174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -34.88 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.679 1.191 . . . . 5.98 111.71 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -54.44 -35.34 62.87 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.886 -0.509 . . . . 7.13 112.033 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.25 -34.04 63.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.182 0.993 . . . . 5.23 113.584 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -129.08 46.28 2.66 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.526 0.33 . . . . 5.74 110.837 -154.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? 70.95 92.62 0.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.712 1.605 . . . . 12.06 108.811 -172.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -43.78 -54.69 4.98 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.146 0.978 . . . . 12.99 112.736 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 38.9 63.73 0.88 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 122.942 1.354 . . . . 17.76 110.137 -166.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.43 -166.04 21.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 107.939 -2.064 . . . . 19.04 107.939 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 47.75 70.24 2.2 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.581 1.552 . . . . 22.33 111.623 -172.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -50.95 -61.87 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 123.183 2.589 . . . . 26.35 113.445 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 108.544 -1.823 . . . . 26.81 108.544 -177.87 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.536 1 O4'-C1'-N19 114.755 8.694 . . . . 4.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C4'-C3' 109.28 3.68 . . . . 4.14 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.301 2 O4'-C1'-N19 111.385 4.482 . . . . 4.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 4 O4'-C1'-N19 113.268 6.836 . . . . 4.87 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.092 0 O4'-C1'-N19 109.749 2.437 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.453 1 O4'-C1'-N19 112.927 6.409 . . . . 3.05 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 C4'-C3'-C2' 99.559 -3.641 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.789 0 O4'-C4'-C3' 109.165 3.565 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 P-O3'-C3' 124.0 3.584 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 P-O3'-C3' 124.21 3.758 . . . . 1.6 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 112.012 5.265 . . . . 2.61 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 N19-C1'-C2' 109.862 -2.711 . . . . 2.31 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O5'-C5'-C4' 115.057 3.469 . . . . 2.2 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 O4'-C4'-C3' 102.505 -3.095 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 114.206 8.008 . . . . 4.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 1 O4'-C1'-N19 112.454 5.817 . . . . 3.37 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C4'-C3' 108.095 2.495 . . . . 2.82 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.285 2 O4'-C1'-N19 111.914 5.142 . . . . 2.46 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.757 2 O4'-C1'-N19 113.017 6.522 . . . . 2.82 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-C2' 102.03 -3.7 . . . . 2.53 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.604 1 P-O3'-C3' 125.921 5.184 . . . . 1.49 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 N19-C1'-C2' 108.859 -3.338 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.874 0 O4'-C1'-C2' 102.552 -3.225 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 0 P-O3'-C3' 123.396 3.08 . . . . 3.95 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C1'-N19 111.038 4.048 . . . . 2.75 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O3'-P-O5' 109.401 2.843 . . . . 3.99 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-C2' 102.84 -2.964 . . . . 4.72 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.104 0 O4'-C1'-N19 110.756 3.695 . . . . 4.93 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 43.2 mmm . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 109.592 -0.521 . . . . 20.49 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.8 -156.81 0.6 Allowed 'General case' 0 C--O 1.239 0.538 0 N-CA-C 105.803 -1.925 . . . . 18.26 105.803 167.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.59 82.41 1.11 Allowed 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.05 -1.031 . . . . 11.17 109.386 170.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -60.64 152.32 26.73 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.107 -1.442 . . . . 9.17 107.107 149.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.47 65.95 0.49 Allowed Glycine 0 CA--C 1.519 0.33 0 N-CA-C 108.205 -1.958 . . . . 5.41 108.205 -173.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -51.36 135.57 26.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.768 1.627 . . . . 5.22 112.014 -170.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -58.5 132.38 53.56 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.971 1.708 . . . . 3.93 106.977 167.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m -122.07 99.14 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.357 -1.349 . . . . 4.27 107.357 168.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -62.84 149.11 45.12 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.609 -1.626 . . . . 3.21 106.609 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -79.02 -140.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.42 -0.585 . . . . 3.72 109.42 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -100.42 -47.01 5.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 120.249 -1.532 . . . . 9.24 107.616 160.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -50.8 -52.08 44.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.51 0.724 . . . . 3.21 111.715 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.43 -42.51 87.44 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.281 -0.637 . . . . 4.12 109.281 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -67.2 -30.86 70.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.479 1.112 . . . . 2.67 111.536 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -70.29 0.1 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.082 1.353 . . . . 3.2 113.078 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.45 -28.43 69.27 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.252 -0.579 . . . . 3.82 111.054 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.52 -38.2 88.97 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 119.091 -0.48 . . . . 2.06 110.873 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.23 -47.3 86.7 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.61 1.096 . . . . 3.79 110.702 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -53.89 -49.8 67.77 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.57 -0.53 . . . . 4.49 109.57 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -66.14 -62.25 1.59 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.533 1.133 . . . . 2.88 109.042 -174.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -57.35 -40.41 77.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.77 1.168 . . . . 3.21 112.919 -172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -68.72 -14.59 63.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.819 -1.175 . . . . 8.21 111.545 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.34 -71.63 0.7 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.314 1.046 . . . . 4.98 110.024 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -90.56 97.9 11.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 127.442 2.297 . . . . 3.72 108.048 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.54 -56.57 5.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.133 -1.062 . . . . 6.37 108.133 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -82.89 125.75 31.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.572 -1.27 . . . . 4.49 107.572 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -117.31 120.05 37.01 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.563 1.945 . . . . 2.63 106.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.2 p -67.69 159.73 29.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.361 0.528 . . . . 3.72 109.821 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -54.21 -53.15 57.44 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.33 0.652 . . . . 4.58 109.59 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -48.68 -61.39 2.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.056 0.542 . . . . 6.36 110.265 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -58.07 -43.83 87.17 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 118.056 0.389 . . . . 4.15 110.17 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -55.96 -47.45 77.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.521 1.055 . . . . 4.1 112.249 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -54.9 -49.5 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.343 -0.243 . . . . 2.54 110.343 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -59.51 -50.19 74.86 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 118.911 -0.566 . . . . 3.66 111.884 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.19 -57.27 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 125.775 1.63 . . . . 2.03 108.279 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.04 -49.61 60.22 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 1.71 111.044 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -67.98 -36.93 80.86 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.874 -0.516 . . . . 2.34 112.293 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.09 -56.06 17.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.035 0.934 . . . . 2.33 109.55 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.74 -18.51 60.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 118.949 -0.548 . . . . 2.56 111.883 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m 66.02 67.12 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.154 0.981 . . . . 2.2 109.286 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.21 168.28 19.92 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.173 2.189 . . . . 1.81 106.269 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 21.0 p -77.55 158.87 29.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.269 0.94 . . . . 2.26 109.51 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -55.03 -41.13 70.99 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.662 -0.866 . . . . 3.68 108.662 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -51.35 -54.48 25.95 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.244 -0.65 . . . . 3.57 109.244 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -54.88 -44.49 74.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.037 -0.665 . . . . 2.3 111.153 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.99 -52.37 61.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 121.12 -0.988 . . . . 1.29 110.357 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -45.98 -59.57 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.495 1.518 . . . . 2.39 108.875 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.6 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 C-N-CA 126.302 1.841 . . . . 0.99 110.975 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -54.5 -54.45 40.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.956 0.884 . . . . 1.68 109.176 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.93 -53.06 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.537 0.735 . . . . 1.62 110.174 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -48.38 -62.16 1.63 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.749 1.62 . . . . 3.75 108.986 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -46.09 -52.7 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.114 1.766 . . . . 3.44 110.461 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.76 -47.03 64.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 119.032 -0.508 . . . . 3.81 111.595 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -50.72 -43.81 58.06 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.657 1.117 . . . . 4.49 113.097 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -54.66 43.45 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 107.967 -1.123 . . . . 2.14 107.967 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -69.79 -48.78 57.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 5.81 108.744 -170.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -41.25 -38.2 1.1 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.949 2.1 . . . . 2.63 112.657 172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -49.95 -48.13 52.21 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.0 -0.438 . . . . 4.8 110.711 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.07 -47.65 73.58 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.665 -0.495 . . . . 6.7 109.665 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.9 7.48 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.668 1.187 . . . . 4.51 113.864 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -29.43 7.04 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 115.433 1.642 . . . . 4.93 115.433 -161.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -45.9 -24.72 0.43 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.549 1.14 . . . . 9.81 112.831 173.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m 83.98 141.15 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.499 1.92 . . . . 9.39 107.228 -175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -68.91 88.55 0.39 Allowed 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.538 -1.653 . . . . 17.37 106.538 169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.48 73.58 1.14 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 107.431 -2.268 . . . . 14.71 107.431 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -132.52 84.82 49.93 Favored Pre-proline 0 N--CA 1.447 -0.613 0 C-N-CA 126.959 2.104 . . . . 18.72 105.605 -172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.82 167.93 23.1 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.173 1.915 . . . . 22.22 110.578 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 107.5 -2.24 . . . . 24.88 107.5 -179.452 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.178 1 O4'-C1'-N19 113.206 6.757 . . . . 8.03 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 112.271 5.589 . . . . 6.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 0 P-O3'-C3' 122.645 2.454 . . . . 5.26 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.283 0 C3'-C2'-C1' 106.425 2.66 . . . . 3.69 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.986 3.983 . . . . 2.21 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O3'-P-O5' 112.361 4.401 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 0 C4'-C3'-C2' 99.663 -3.537 . . . . 1.4 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 111.647 4.809 . . . . 1.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.976 0 O4'-C1'-N19 110.996 3.996 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.685 0 O4'-C4'-C3' 108.534 2.934 . . . . 2.1 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 112.814 6.268 . . . . 1.71 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . 0.401 ' H21' ' NH1' ' P' ' 5' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.494 0 P-O3'-C3' 124.185 3.737 . . . . 2.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.467 1 O4'-C4'-C3' 109.743 4.143 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 1 P-O3'-C3' 125.733 5.027 . . . . 3.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 114.555 8.443 . . . . 3.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 112.394 5.743 . . . . 3.56 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.574 0 C4'-C3'-O3' 117.146 3.112 . . . . 3.01 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . 0.403 ' H72' ' HE3' ' P' ' 55' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.072 2 P-O3'-C3' 126.393 5.577 . . . . 2.56 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O4'-C1'-C2' 102.789 -3.01 . . . . 2.34 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.554 0 O4'-C1'-N19 110.77 3.712 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 P-O3'-C3' 124.904 4.337 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 P-O3'-C3' 123.274 2.978 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O5'-C5'-C4' 115.276 3.626 . . . . 2.16 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.908 0 O4'-C1'-N19 110.354 3.193 . . . . 2.62 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.264 1 O4'-C1'-N19 111.413 4.516 . . . . 2.73 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 2 C4'-C3'-C2' 98.606 -4.594 . . . . 5.08 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.247 4.308 . . . . 7.06 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 1 O4'-C1'-N19 112.341 5.676 . . . . 8.12 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 111.198 0.074 . . . . 15.24 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.56 159.51 0.15 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.863 2.065 . . . . 14.92 111.712 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -64.92 137.0 57.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.895 0.855 . . . . 11.86 110.855 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 158.82 7.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.489 1.116 . . . . 7.52 108.945 165.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.23 -145.02 38.61 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.748 -0.595 . . . . 6.31 112.588 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.401 ' NH1' ' H21' ' A' ' 12' ' ' ' DG' . 37.9 mtp85 -32.09 133.52 0.1 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 128.066 2.546 . . . . 5.38 112.638 -176.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -106.38 42.38 1.28 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.882 0.473 . . . . 5.69 111.042 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m 16.2 81.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 C-N-CA 127.972 2.509 . . . . 5.14 113.721 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -63.03 137.16 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.804 -1.554 . . . . 3.56 106.804 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -69.13 165.45 20.31 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.179 -1.045 . . . . 3.46 108.179 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -58.08 -51.83 68.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.124 -1.03 . . . . 9.37 108.685 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -39.47 -47.47 1.84 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.327 1.451 . . . . 4.78 113.162 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -57.71 -64.74 0.8 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.079 0.943 . . . . 3.54 109.813 173.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -45.73 -39.27 7.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.289 1.836 . . . . 2.78 113.424 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.21 -54.43 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.926 0.89 . . . . 5.11 112.265 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.5 -28.96 62.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.21 -0.596 . . . . 4.81 110.902 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.54 -44.44 90.82 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.748 0.819 . . . . 2.44 110.539 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -55.83 -42.82 76.3 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.925 -1.109 . . . . 3.83 110.923 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.18 -48.37 80.52 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.46 0.475 . . . . 5.06 109.818 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.61 -49.29 75.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.961 -1.019 . . . . 4.14 110.703 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -52.5 -45.07 66.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.72 0.691 . . . . 2.6 110.143 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -53.96 -56.58 16.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 4.77 109.786 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.12 -53.84 39.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 123.654 0.782 . . . . 8.03 111.146 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.88 117.1 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.101 -1.074 . . . . 4.41 108.101 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -69.06 -39.12 79.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.452 0.701 . . . . 5.64 109.459 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 120.52 39.18 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.29 -0.882 . . . . 7.32 109.326 167.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.13 161.0 26.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.598 1.159 . . . . 3.2 108.578 164.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -91.47 160.94 15.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.651 1.98 . . . . 4.39 108.716 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -82.9 59.92 5.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.342 -0.849 . . . . 4.99 111.312 -170.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -143.57 -61.94 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 104.596 -2.372 . . . . 9.36 104.596 161.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -47.67 -46.09 28.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.861 1.265 . . . . 5.08 112.114 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm105 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.378 -0.826 . . . . 4.71 110.922 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.82 -54.72 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 108.168 -1.049 . . . . 3.1 108.168 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -49.28 -39.41 30.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.171 0.188 . . . . 4.31 111.158 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -68.67 -44.64 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 124.063 0.945 . . . . 3.05 112.02 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.95 34.47 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.145 -0.347 . . . . 1.81 110.783 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -68.41 -51.58 42.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.448 -0.311 . . . . 2.51 110.832 171.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.86 -56.79 3.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.457 1.503 . . . . 2.41 112.277 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.96 -11.0 54.18 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.299 0.639 . . . . 2.87 112.083 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m 65.01 43.1 3.89 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.53 1.132 . . . . 2.27 110.69 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.29 -162.6 0.94 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.767 -1.568 . . . . 2.23 106.767 167.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.3 160.35 22.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.396 -1.705 . . . . 3.61 106.396 170.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.1 -40.69 70.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.273 -1.346 . . . . 4.69 112.73 -173.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -49.13 -49.33 42.7 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 119.917 1.235 . . . . 3.64 110.052 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -55.86 -51.66 66.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 118.407 0.549 . . . . 3.97 110.593 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.93 -56.59 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.014 -1.054 . . . . 1.28 109.629 -175.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -41.75 -58.04 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.377 1.871 . . . . 2.33 109.416 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.79 -54.97 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.209 1.404 . . . . 1.06 110.981 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -52.99 -50.38 64.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.022 -0.733 . . . . 1.6 109.022 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -59.05 -55.77 30.82 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.636 -0.665 . . . . 1.89 110.513 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -51.86 -59.53 4.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.493 1.139 . . . . 5.15 109.693 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -62.05 -41.97 98.69 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.596 1.558 . . . . 4.08 110.067 -171.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -39.36 93.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.215 0.606 . . . . 3.39 109.901 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.01 -53.25 58.23 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.245 -0.909 . . . . 3.87 112.063 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -35.71 -53.75 0.71 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.253 1.502 . . . . 2.13 110.765 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 55' ' ' LYS . . . . . 0.403 ' HE3' ' H72' ' B' ' 18' ' ' ' DT' . 50.4 mttm -79.33 -38.45 35.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.059 -1.882 . . . . 5.96 110.289 -165.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -55.06 112.81 1.14 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.504 -1.665 . . . . 5.2 106.504 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 tptt 144.15 -74.52 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 1 C-N-CA 133.174 4.59 . . . . 8.51 104.74 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.96 -67.99 0.41 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.897 0.771 . . . . 6.91 109.442 171.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -60.12 -20.09 56.62 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.181 -0.949 . . . . 6.87 113.105 -173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -55.13 -26.85 41.15 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.822 -0.549 . . . . 8.44 111.994 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -40.64 -37.25 0.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.205 1.802 . . . . 15.37 114.378 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.9 -53.4 9.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.507 0.67 . . . . 14.49 109.433 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -87.95 52.28 2.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.23 1.014 . . . . 17.85 109.755 -168.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -43.01 76.26 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.656 -1.377 . . . . 14.17 109.656 172.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.48 120.77 70.81 Favored Pre-proline 0 CA--C 1.546 0.8 0 N-CA-C 108.007 -1.109 . . . . 17.71 108.007 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -57.32 -34.89 98.66 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.297 2.664 . . . . 18.63 114.109 -171.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.231 -1.548 . . . . 21.69 109.231 175.234 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 107.657 -1.238 . . . . 4.25 107.657 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -77.93 109.91 12.39 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.149 -1.426 . . . . 2.84 107.149 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.89 146.75 29.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.381 0.672 . . . . 3.37 112.408 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -24.28 -64.93 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 127.892 2.477 . . . . 8.27 113.756 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -47.93 -44.38 29.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.11 0.868 . . . . 4.2 111.885 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -62.96 -53.74 49.32 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.173 -1.417 . . . . 3.82 107.173 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -20.75 34.15 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.676 1.19 . . . . 2.35 113.923 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.31 -68.49 0.38 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.723 -1.236 . . . . 3.74 110.294 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.6 -33.33 70.93 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.026 -0.534 . . . . 3.73 110.143 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.41 -40.77 87.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 123.198 0.311 . . . . 2.1 110.566 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.79 -45.82 88.99 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.861 0.755 . . . . 3.83 110.926 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -62.57 -47.73 82.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 4.24 110.128 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -51.74 -58.42 6.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 122.001 -0.437 . . . . 3.27 109.881 169.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 34.0 t80 -48.25 -46.22 35.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.394 0.678 . . . . 3.13 111.332 -178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -52.25 -49.12 64.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.181 0.592 . . . . 4.53 110.192 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -69.81 -45.14 68.54 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.934 0.494 . . . . 5.31 112.069 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.32 98.92 1.88 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.524 1.53 . . . . 3.03 111.28 -163.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -63.65 -55.22 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.104 -1.073 . . . . 4.66 108.104 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -66.35 126.19 27.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.085 1.354 . . . . 3.66 107.988 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mp -107.55 135.12 49.54 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 105.304 -2.109 . . . . 3.06 105.304 162.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -57.36 136.19 56.57 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.976 -1.49 . . . . 4.89 106.976 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -33.42 -72.32 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.171 1.789 . . . . 7.11 113.709 -159.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -74.52 0.26 15.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.581 0.956 . . . . 11.06 113.581 -168.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.2 79.98 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.305 -1.497 . . . . 4.73 108.079 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -51.49 -43.27 62.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.935 -1.103 . . . . 4.72 110.352 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.36 -47.89 86.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 124.242 1.017 . . . . 2.85 109.501 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.09 -44.3 91.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 109.169 -0.678 . . . . 4.24 109.169 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -56.58 -52.13 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.515 -0.741 . . . . 2.41 109.632 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -43.34 61.88 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.005 0.922 . . . . 1.78 111.577 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -71.66 -50.2 32.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 119.651 -0.214 . . . . 2.5 110.78 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.43 16.23 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.267 0.84 . . . . 2.72 113.267 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 68.0 mt -106.31 -8.35 17.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.519 1.303 . . . . 2.37 114.519 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 66.51 53.93 0.92 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.173 0.897 . . . . 2.17 112.462 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . 0.437 ' HB2' HD11 ' P' ' 45' ' ' ILE . 17.3 mt -120.54 -172.26 2.34 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.886 2.074 . . . . 1.96 106.965 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.77 151.38 25.78 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.917 -1.114 . . . . 1.92 108.662 173.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.01 -50.8 10.5 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.885 0.874 . . . . 3.64 110.274 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -36.21 -60.62 0.55 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.318 1.847 . . . . 5.51 109.81 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.13 -32.42 73.98 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.985 0.914 . . . . 2.32 110.798 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' P' ' 40' ' ' LEU . 9.4 mm -74.34 -25.29 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.188 -0.945 . . . . 1.43 110.898 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.91 -60.22 3.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.193 -1.567 . . . . 2.5 107.111 164.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -57.98 -53.42 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 124.888 1.275 . . . . 1.04 111.696 -162.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -50.1 -46.69 53.82 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.097 0.951 . . . . 1.55 110.167 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -69.17 -47.32 65.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.773 -0.579 . . . . 1.53 110.099 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.15 -57.99 9.06 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.461 1.104 . . . . 3.68 108.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -48.39 -54.49 13.82 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.112 1.365 . . . . 4.03 112.143 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 6.2 mpt_? -53.29 -54.89 29.73 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 121.274 -0.17 . . . . 3.55 111.084 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -49.56 -55.86 11.98 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.434 1.094 . . . . 4.83 111.593 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -59.36 1.84 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.11 1.364 . . . . 2.56 110.478 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -68.87 -50.28 51.13 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.127 -0.488 . . . . 5.42 109.754 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 t90 . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 125.358 1.463 . . . . 2.73 111.8 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 106.843 -1.54 . . . . 6.6 106.843 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -48.52 148.44 2.02 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.679 1.192 . . . . 4.17 110.632 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -69.28 157.49 36.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.9 -0.5 . . . . 3.87 110.236 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -54.65 -52.43 62.34 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.465 -0.939 . . . . 7.58 108.465 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -46.11 -54.71 8.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.309 1.044 . . . . 3.61 111.697 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -59.13 -56.09 26.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.792 -0.447 . . . . 3.56 109.792 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.45 -39.16 64.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.73 0.3 . . . . 3.31 110.881 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.56 -54.59 35.27 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.31 1.044 . . . . 4.33 112.983 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.55 -30.63 33.03 Favored 'General case' 0 CA--C 1.522 -0.126 0 O-C-N 121.88 -0.513 . . . . 3.6 110.843 -175.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.85 -50.22 73.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.675 -0.491 . . . . 2.05 109.675 172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -58.5 -39.37 79.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.459 -0.776 . . . . 4.6 111.55 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -53.89 -60.65 3.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.166 -0.445 . . . . 6.57 109.915 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.77 -39.89 78.49 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.331 0.969 . . . . 3.49 110.444 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.08 -37.76 72.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.934 -0.479 . . . . 2.35 111.937 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -76.79 -50.62 13.07 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.117 0.967 . . . . 5.65 110.115 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.62 -37.92 80.13 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.56 1.544 . . . . 4.48 111.46 -167.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.9 -111.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.801 1.641 . . . . 3.81 106.667 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -161.07 -52.0 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 120.371 1.441 . . . . 4.69 109.951 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.46 9.31 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.892 0.701 . . . . 7.88 112.892 -156.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.43 150.3 0.1 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.351 1.46 . . . . 2.75 109.354 -171.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -67.87 -72.76 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.048 0.939 . . . . 4.07 109.976 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -159.43 -88.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 6.15 107.404 171.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -52.01 -32.67 34.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.804 2.093 . . . . 7.28 113.401 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -44.53 -35.96 2.76 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.381 0.992 . . . . 3.94 112.037 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -50.39 -55.1 17.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.42 1.488 . . . . 3.34 110.796 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.49 -48.78 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.067 0.947 . . . . 2.74 108.53 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.0 -39.08 93.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.624 0.37 . . . . 3.68 111.573 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -57.57 -58.75 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 125.173 1.389 . . . . 2.18 108.277 170.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.48 55.45 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.73 -0.668 . . . . 1.89 111.054 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.72 -52.37 63.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.179 0.591 . . . . 2.99 110.884 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.85 3.78 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.495 0.718 . . . . 2.39 110.628 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.28 -16.94 63.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.598 0.759 . . . . 2.21 111.533 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m 64.18 38.92 7.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.861 2.064 . . . . 2.43 110.772 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.44 179.82 4.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.711 1.605 . . . . 1.86 107.691 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -89.09 146.84 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.291 1.037 . . . . 2.1 109.759 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -46.51 -44.11 17.42 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 118.439 0.563 . . . . 3.3 109.961 170.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttm105 -46.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.347 0.659 . . . . 3.51 109.856 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -55.36 -41.14 72.15 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.726 -0.609 . . . . 4.88 110.491 -172.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.51 -52.65 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 109.976 -0.379 . . . . 1.45 109.976 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -53.8 -48.36 69.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 120.928 -1.107 . . . . 2.46 109.5 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.734 0.697 . . . . 1.01 111.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -53.83 -59.65 4.35 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.106 0.866 . . . . 2.01 109.838 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.94 -50.4 74.21 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.466 -0.772 . . . . 1.43 110.443 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -43.2 -68.6 0.18 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.707 1.603 . . . . 3.69 109.469 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . 0.263 21.0 p30 -66.7 -38.86 87.6 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.103 -0.373 . . . . 3.84 111.705 -166.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -55.6 -54.35 45.21 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.417 -0.586 . . . . 2.94 109.417 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttp85 -56.3 -37.96 70.6 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.967 -1.083 . . . . 4.22 111.716 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.81 -46.86 80.24 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.163 0.506 . . . . 2.05 110.065 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -93.21 41.32 1.08 Allowed 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.3 1.44 . . . . 4.77 111.702 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.4 t90 . . . . . 0 N--CA 1.435 -1.216 0 C-N-CA 125.419 1.488 . . . . 3.64 107.762 -177.566 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.234 0.288 0 N-CA-C 106.547 -1.649 . . . . 5.02 106.547 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -105.2 146.85 28.7 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.395 0.678 . . . . 3.52 110.808 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -70.48 -90.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.445 0.698 . . . . 4.44 109.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -172.94 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.714 2.406 . . . . 7.31 107.19 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -43.36 -48.76 7.01 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.198 1.399 . . . . 3.77 110.997 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.59 -56.99 14.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.573 -0.899 . . . . 3.24 108.573 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.08 82.97 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.808 1.243 . . . . 2.79 111.822 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.23 -47.12 72.54 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.474 -0.766 . . . . 3.31 112.346 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.77 -52.82 10.52 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 124.559 1.144 . . . . 5.09 110.044 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.56 -38.11 59.45 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.615 -1.175 . . . . 1.83 108.927 -164.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.53 -42.72 83.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.642 -0.661 . . . . 3.11 110.365 167.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -59.06 -48.83 80.15 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.459 -0.776 . . . . 4.84 110.681 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.6 -51.86 65.73 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 121.638 -0.664 . . . . 3.3 109.343 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 5.9 t80 -56.8 -43.89 81.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.421 0.629 . . . . 1.91 110.659 -175.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -64.16 -33.08 74.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.16 0.984 . . . . 5.0 111.318 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.77 -70.74 0.22 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.353 0.661 . . . . 3.88 109.38 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.81 -165.09 1.19 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.24 1.016 . . . . 4.38 109.551 170.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -118.72 -27.84 5.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.575 0.75 . . . . 3.97 112.831 -171.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -93.02 78.31 4.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.368 -0.975 . . . . 3.98 108.368 -176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.52 150.3 15.58 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.689 -0.804 . . . . 2.54 110.098 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -72.32 157.73 37.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.107 0.963 . . . . 3.86 108.434 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -64.21 -51.66 62.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 106.927 -1.509 . . . . 6.43 106.927 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -75.6 40.8 0.18 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.543 0.687 . . . . 6.29 111.592 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -129.6 -47.19 1.16 Allowed 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.503 -1.295 . . . . 4.92 107.503 143.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -62.15 -30.29 70.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.803 0.841 . . . . 4.42 112.275 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.18 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 107.722 -1.214 . . . . 2.59 107.722 167.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' P' ' 33' ' ' GLU . 22.1 mm-40 -49.45 -51.68 34.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.239 1.815 . . . . 4.08 110.245 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -41.31 -61.83 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 128.164 2.586 . . . . 2.03 110.687 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.01 57.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.824 0.85 . . . . 1.67 110.626 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -66.28 -41.55 89.69 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.235 0.541 . . . . 2.44 110.13 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.47 82.66 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 124.342 1.057 . . . . 2.19 111.918 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.0 mt -91.54 -14.19 30.78 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.044 0.538 . . . . 2.19 111.996 175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 39.6 m 51.85 67.35 0.98 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.994 0.917 . . . . 2.27 109.606 -164.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.94 155.55 45.88 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.51 -2.033 . . . . 1.78 105.51 165.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -69.37 150.97 46.72 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.761 -0.829 . . . . 2.11 108.761 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.54 -37.36 72.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.582 -0.699 . . . . 3.48 109.754 170.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -40.22 -69.41 0.13 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.204 1.002 . . . . 3.66 110.22 164.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.06 -37.97 72.59 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.675 -0.641 . . . . 2.19 111.169 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.61 -55.58 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.286 0.948 . . . . 1.15 110.371 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -48.81 -55.58 11.16 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.357 -0.979 . . . . 2.46 108.357 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.08 -47.53 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.182 0.993 . . . . 0.83 111.862 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -53.54 -51.91 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.171 -0.956 . . . . 1.33 108.935 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -62.26 -46.29 89.47 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 121.586 -0.696 . . . . 1.37 110.331 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -49.32 -58.49 4.99 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.203 1.401 . . . . 4.36 108.974 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -51.5 -51.36 55.81 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 122.385 1.088 . . . . 3.57 108.235 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . 0.412 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 18.3 mmt180 -62.33 -56.61 16.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.407 -0.815 . . . . 3.61 110.141 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -53.05 -44.86 67.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.139 1.375 . . . . 5.05 110.764 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -73.43 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.909 0.483 . . . . 2.21 110.258 171.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -55.14 -43.47 74.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.743 -0.598 . . . . 4.07 111.612 -168.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 11.1 t90 . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 127.005 2.122 . . . . 2.77 113.568 -179.206 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 107.459 -1.312 . . . . 4.48 107.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -75.15 162.46 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.367 -0.975 . . . . 3.48 108.367 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -84.81 159.24 20.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.779 -1.193 . . . . 3.01 107.779 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -64.57 -51.19 64.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 107.661 -1.237 . . . . 6.53 107.661 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -37.68 -56.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.502 1.521 . . . . 3.85 113.148 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.74 -44.2 78.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.936 -0.706 . . . . 3.2 110.499 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -52.96 -42.94 65.97 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.111 0.564 . . . . 2.38 110.341 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.97 -48.82 51.96 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.085 0.954 . . . . 3.8 113.258 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -76.96 -30.06 55.86 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.606 0.639 . . . . 5.05 110.308 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -48.61 75.54 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.521 0.729 . . . . 2.22 110.032 172.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.93 -44.05 70.31 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.358 -0.839 . . . . 3.46 111.151 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.52 -32.5 73.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.266 0.626 . . . . 5.7 112.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.46 -41.24 93.61 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.264 -0.897 . . . . 3.27 109.036 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.63 -25.97 64.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.812 -0.555 . . . . 2.35 111.783 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.41 -53.91 30.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.469 -0.937 . . . . 4.56 108.469 172.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -57.98 -48.84 78.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.764 0.826 . . . . 4.62 111.351 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 164.14 28.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.405 1.082 . . . . 3.33 109.749 -158.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -116.03 -55.71 2.38 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.837 -0.54 . . . . 4.11 109.699 166.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -95.56 102.66 14.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.237 1.415 . . . . 4.16 109.673 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' P' ' 30' ' ' ARG . 6.3 mp -65.82 135.71 55.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.607 -1.257 . . . . 2.47 107.607 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -68.18 115.35 7.55 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.555 -1.646 . . . . 3.34 106.555 166.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 23.57 -98.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.956 2.102 . . . . 5.45 113.675 165.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -71.11 -18.52 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 118.758 -0.639 . . . . 7.75 111.544 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' P' ' 26' ' ' LEU . 28.3 tpt180 -46.07 -42.28 13.3 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 119.802 1.183 . . . . 3.9 109.449 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.476 ' HG2' HD22 ' P' ' 26' ' ' LEU . 11.2 mtm-85 -61.16 -38.37 86.21 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.314 -0.866 . . . . 4.14 111.768 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -68.43 -45.86 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 124.235 1.014 . . . . 2.95 109.474 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.06 -48.82 80.13 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 122.101 -0.374 . . . . 3.5 110.154 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.38 -56.87 3.09 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 C-N-CA 125.459 1.504 . . . . 2.2 109.068 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.28 18.86 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.26 0.624 . . . . 2.07 111.313 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -57.62 -51.2 70.48 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.837 -0.431 . . . . 2.71 109.837 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.09 -53.84 30.41 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.95 0.9 . . . . 2.51 111.255 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.32 -20.55 62.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.494 0.718 . . . . 2.21 111.814 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 63.8 m 66.78 51.27 1.05 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.815 1.646 . . . . 2.41 110.39 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.11 -151.96 0.49 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.909 1.684 . . . . 2.17 106.722 167.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 72.6 p -127.72 161.68 28.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.045 -1.095 . . . . 2.18 108.045 168.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -36.62 71.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.169 0.803 . . . . 4.3 113.169 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttm105 -37.72 -63.97 0.42 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.868 0.467 . . . . 3.98 111.181 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.54 -49.8 55.01 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 123.922 0.764 . . . . 2.88 110.966 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.74 -45.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.908 -0.775 . . . . 1.29 108.908 -174.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -52.13 -56.19 16.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.568 -0.707 . . . . 3.05 109.337 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -56.99 -47.16 83.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 O-C-N 123.238 0.336 . . . . 0.91 110.548 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -51.6 -58.94 4.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.709 0.766 . . . . 1.51 109.506 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -64.85 -51.29 62.84 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.022 -1.049 . . . . 1.75 111.183 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -41.19 -54.16 2.98 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.302 1.041 . . . . 3.8 110.399 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.0 -55.9 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.222 -1.029 . . . . 4.69 108.222 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -53.18 -40.29 64.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.992 0.917 . . . . 2.7 111.763 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -57.66 -18.1 18.56 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.898 -1.126 . . . . 5.02 113.696 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.97 -70.86 0.36 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.502 -1.296 . . . . 2.99 107.502 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -49.04 -40.4 31.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.985 1.714 . . . . 5.0 113.937 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 C-N-CA 126.591 1.956 . . . . 3.6 112.675 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 108.293 -1.003 . . . . 5.97 108.293 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.37 159.81 14.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.179 1.392 . . . . 4.72 110.734 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -78.35 127.32 32.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 117.396 -1.287 . . . . 4.43 108.501 165.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -44.23 -43.06 6.99 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.911 0.757 . . . . 9.15 111.146 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -38.75 -51.51 1.7 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.754 1.221 . . . . 6.17 111.48 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.04 -58.02 10.33 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.634 -0.666 . . . . 4.44 109.287 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -52.33 -33.13 41.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.861 1.265 . . . . 4.37 111.788 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -59.95 3.83 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.972 0.909 . . . . 6.76 111.979 -168.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.52 -36.83 83.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.825 -0.75 . . . . 6.74 109.183 -173.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.3 mt -53.62 -44.93 69.89 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.77 1.228 . . . . 3.75 111.779 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.08 -48.35 61.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.43 1.014 . . . . 6.3 110.726 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.71 -40.84 97.75 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 110.074 -0.343 . . . . 8.49 110.074 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.28 -45.34 93.66 Favored 'General case' 0 C--O 1.224 -0.265 0 O-C-N 121.336 -0.853 . . . . 6.64 110.929 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.2 -48.48 81.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.563 0.619 . . . . 3.2 110.253 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.24 -43.02 74.18 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.795 -0.566 . . . . 6.84 109.66 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -65.05 -43.51 92.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.4 0.68 . . . . 6.28 112.456 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.77 151.74 20.52 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.906 0.883 . . . . 4.04 111.772 -161.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -116.93 -40.89 3.08 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.716 1.607 . . . . 3.64 109.617 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -91.37 101.34 14.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.491 0.716 . . . . 3.95 110.302 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.3 177.92 3.11 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.303 -0.999 . . . . 3.64 108.303 165.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 2.2 t -132.34 -177.88 4.67 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.184 -0.673 . . . . 5.24 109.184 159.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -85.39 41.54 0.9 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.908 0.883 . . . . 5.68 112.522 -158.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -129.03 -53.46 1.21 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.13 -1.433 . . . . 11.9 107.13 153.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -50.88 -39.55 54.36 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.067 0.849 . . . . 6.94 110.76 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -44.44 -49.25 9.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.226 0.61 . . . . 4.05 111.538 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.09 -49.02 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.632 1.173 . . . . 5.13 109.496 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -55.23 -46.92 76.0 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-O 118.574 -0.727 . . . . 7.6 111.562 -174.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.22 -60.05 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.355 -0.98 . . . . 4.02 108.355 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.99 -56.83 5.0 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.343 1.057 . . . . 3.32 110.123 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.28 -41.35 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.142 -0.974 . . . . 4.84 112.456 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.76 73.98 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.321 1.049 . . . . 4.75 110.053 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.35 -8.26 48.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.915 0.886 . . . . 4.11 111.444 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 66.13 37.07 5.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.659 1.984 . . . . 4.4 111.81 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.51 171.9 7.11 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.785 1.634 . . . . 2.7 108.778 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 37.3 p -101.1 152.44 20.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.156 0.982 . . . . 2.29 110.427 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -57.06 -39.32 74.69 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.35 -0.844 . . . . 4.98 111.812 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -43.07 -63.46 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 108.955 -0.757 . . . . 3.68 108.955 168.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.69 -45.94 81.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.076 -0.712 . . . . 2.22 109.076 -173.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.85 -37.84 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.791 0.723 . . . . 1.89 112.343 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -52.14 -61.93 1.96 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.559 -1.274 . . . . 4.19 107.559 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.07 -47.25 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 113.356 -1.747 . . . . 1.25 109.507 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -51.4 -54.3 27.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.97 0.908 . . . . 2.64 110.048 -168.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.06 -54.55 8.25 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 123.799 0.84 . . . . 2.27 109.033 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -47.63 -60.6 2.44 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 122.104 0.954 . . . . 5.86 109.839 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.39 -22.15 61.17 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.641 -0.662 . . . . 5.98 110.575 -167.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.56 -35.81 78.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.878 -1.139 . . . . 4.63 110.039 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -56.7 -29.9 62.9 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.774 -1.204 . . . . 3.92 111.145 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.0 mmt -89.63 -31.15 17.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.095 0.958 . . . . 2.56 110.282 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -57.46 -49.22 76.97 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.863 -0.792 . . . . 4.44 108.863 165.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 10.8 t90 . . . . . 0 N--CA 1.427 -1.59 0 C-N-CA 126.523 1.929 . . . . 4.39 107.352 171.347 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 107.766 -1.198 . . . . 4.93 107.766 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.03 126.53 55.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.608 -1.626 . . . . 3.86 106.608 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -92.37 154.84 18.3 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.079 0.952 . . . . 4.9 112.706 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -42.31 -55.4 3.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.518 2.327 . . . . 11.54 111.89 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -62.88 -52.74 61.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.369 0.604 . . . . 5.6 111.408 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -30.09 69.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.406 -0.361 . . . . 6.22 110.833 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -65.25 -43.81 90.14 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.616 -0.678 . . . . 3.74 110.34 171.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -51.37 4.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.008 1.323 . . . . 6.19 113.523 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -45.97 -54.85 7.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 122.582 1.182 . . . . 7.1 109.669 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 mt -76.65 -31.08 57.11 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.559 -1.655 . . . . 3.23 110.348 -164.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.95 -48.75 67.12 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.561 -0.533 . . . . 5.16 109.561 168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.42 -52.67 56.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 119.021 -0.514 . . . . 6.07 111.185 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -48.78 -63.04 1.21 Allowed 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.19 -0.67 . . . . 4.42 109.19 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.5 -41.88 86.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.794 0.294 . . . . 2.13 111.794 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.53 -36.7 62.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.355 0.262 . . . . 3.83 110.838 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.62 -48.34 7.35 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.326 1.05 . . . . 5.19 112.167 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.83 145.95 12.62 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.592 1.557 . . . . 3.36 112.227 -161.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -107.24 -71.37 0.76 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.897 1.279 . . . . 3.86 111.93 -170.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.46 127.32 30.98 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.723 -0.611 . . . . 4.76 110.472 -168.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.71 164.31 11.92 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.917 0.865 . . . . 4.51 110.347 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -84.57 153.08 23.45 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.067 -1.086 . . . . 5.45 108.067 158.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -39.58 -64.58 0.46 Allowed 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.613 1.165 . . . . 5.85 111.138 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -65.14 -41.08 95.11 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 118.257 -0.878 . . . . 9.02 110.342 -167.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -51.57 -51.54 54.6 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.995 1.27 . . . . 7.82 109.938 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -26.84 68.74 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.98 -0.45 . . . . 5.51 111.421 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.08 -52.61 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.046 -1.033 . . . . 4.37 110.293 167.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -50.65 -49.36 57.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.922 0.889 . . . . 6.14 110.356 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.58 -53.69 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 122.16 0.981 . . . . 3.85 108.851 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.01 70.84 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.669 -0.696 . . . . 3.21 112.364 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -67.06 -52.22 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.606 -0.438 . . . . 4.13 110.467 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.97 22.7 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.526 1.13 . . . . 4.35 110.798 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 54.2 mt -80.39 -11.76 59.66 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.385 0.674 . . . . 4.35 111.938 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 21.2 m 56.68 58.27 4.23 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 4.11 109.496 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -133.35 169.15 17.35 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.144 1.778 . . . . 2.69 106.785 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.7 p -66.38 157.81 30.89 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.23 -0.655 . . . . 1.91 109.23 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -54.23 -44.97 72.16 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.232 -0.655 . . . . 4.09 109.232 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -55.82 -56.56 19.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 119.363 -0.351 . . . . 3.13 111.187 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -51.17 -40.42 58.57 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.291 0.496 . . . . 2.32 110.951 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.05 -56.06 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 O-C-N 121.772 -0.58 . . . . 2.09 110.931 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.95 -54.64 7.95 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 109.214 -0.661 . . . . 3.15 109.214 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.8 mm -62.37 -41.46 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.584 -0.446 . . . . 1.02 110.423 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -52.12 -48.08 65.0 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.942 -0.473 . . . . 2.0 110.291 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -66.28 -60.63 2.6 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.722 -0.611 . . . . 2.46 110.944 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.13 -56.89 0.73 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.686 1.995 . . . . 5.35 110.935 174.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.45 72.13 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.03 -0.419 . . . . 4.53 110.213 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -38.58 81.98 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.798 -0.445 . . . . 3.43 109.798 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -61.32 -57.9 10.44 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.058 0.943 . . . . 4.75 111.301 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mmt -51.8 -50.54 60.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.5 0.591 . . . . 2.21 109.491 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -47.72 -56.65 6.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.891 0.853 . . . . 4.13 111.248 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 8.2 t90 . . . . . 0 N--CA 1.44 -0.964 0 CA-C-O 123.394 1.569 . . . . 3.41 109.137 -175.557 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.239 0.546 0 N-CA-C 107.669 -1.234 . . . . 5.07 107.669 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -76.6 134.66 39.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.591 -2.374 . . . . 3.23 104.591 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 59.6 p -67.28 159.17 29.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.028 -0.73 . . . . 3.88 109.028 -171.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -47.83 69.02 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.763 0.71 . . . . 9.01 110.148 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -48.16 -49.89 30.81 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.666 0.786 . . . . 3.71 111.65 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.73 -52.51 56.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.694 0.398 . . . . 3.19 110.144 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -56.39 -51.77 67.11 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.972 -0.381 . . . . 2.22 109.972 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.37 -46.72 13.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.964 2.106 . . . . 3.22 112.369 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.65 -62.97 1.31 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.02 -1.104 . . . . 4.89 108.02 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.92 -26.66 63.3 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.124 -1.853 . . . . 2.01 112.062 -161.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -51.08 -32.37 21.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.316 0.507 . . . . 3.59 110.794 167.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -82.05 -51.75 7.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.454 -0.573 . . . . 5.02 109.454 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -51.45 -51.28 56.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.665 0.786 . . . . 3.14 110.389 -173.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -58.3 -45.63 87.63 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.913 0.485 . . . . 2.09 111.468 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -62.91 -21.98 66.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 119.297 -0.382 . . . . 5.87 111.364 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.93 -44.94 10.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.898 1.279 . . . . 4.05 111.91 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 146.01 6.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.27 1.428 . . . . 2.92 109.116 -169.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -127.2 -58.63 1.27 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.838 -0.539 . . . . 5.33 110.036 -159.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.18 134.35 45.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.872 -1.899 . . . . 3.94 105.872 165.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.08 155.19 25.33 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.344 -0.984 . . . . 3.57 108.344 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.39 139.17 54.09 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 105.562 -2.014 . . . . 5.05 105.562 158.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -43.35 -58.93 2.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.322 0.965 . . . . 6.32 112.79 -169.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 -58.6 -23.72 59.35 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.276 -0.89 . . . . 5.84 113.111 -176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.17 -31.71 73.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.631 -1.918 . . . . 4.51 109.894 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -58.07 -49.89 75.35 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.226 -1.398 . . . . 4.64 107.226 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.65 -44.48 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.859 1.264 . . . . 3.11 110.916 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.29 -36.2 68.89 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.661 -1.275 . . . . 4.38 113.972 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.68 -53.11 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 108.694 -0.854 . . . . 2.56 108.694 167.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.02 -48.83 52.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.41 1.084 . . . . 1.93 110.535 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.81 -55.32 35.77 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.922 0.489 . . . . 2.65 110.302 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.55 -55.23 20.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.223 0.535 . . . . 2.66 110.946 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 mt -77.27 -13.48 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.132 0.79 . . . . 2.56 113.132 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.44 36.51 8.81 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.643 1.177 . . . . 2.3 110.481 -173.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.46 171.52 7.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.3 -1.37 . . . . 1.92 107.3 172.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -85.67 160.74 19.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.529 -0.545 . . . . 1.9 109.529 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.42 -48.91 77.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.932 -0.766 . . . . 3.69 108.932 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -44.38 -60.84 1.75 Allowed 'General case' 0 C--N 1.338 0.084 0 C-N-CA 124.415 1.086 . . . . 4.12 109.236 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -54.46 -40.25 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 119.658 -0.211 . . . . 2.43 111.33 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 mm -72.72 -19.78 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 O-C-N 119.981 -1.699 . . . . 1.53 112.81 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -64.58 -63.12 1.21 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.231 -1.543 . . . . 2.49 106.976 163.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -55.72 -45.26 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 114.636 -1.165 . . . . 0.92 111.011 -167.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -51.59 -43.35 62.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.293 -0.879 . . . . 1.62 110.799 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -75.84 -54.1 7.44 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.311 1.045 . . . . 1.94 111.364 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -48.04 -59.48 3.34 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.233 -1.025 . . . . 4.77 108.233 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.37 0.25 1.56 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 125.358 1.463 . . . . 3.51 112.767 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -97.1 -64.76 1.01 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 119.617 1.098 . . . . 3.16 108.374 163.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -54.09 -39.17 66.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.637 1.562 . . . . 5.58 112.128 -170.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -60.95 1.99 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.617 -0.883 . . . . 2.44 108.617 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -45.27 -38.37 5.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.727 2.411 . . . . 5.45 112.793 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 . . . . . 0 N--CA 1.444 -0.768 0 C-N-CA 128.299 2.64 . . . . 3.71 107.497 169.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 121.741 0.781 . . . . 5.1 109.678 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -80.0 92.26 5.56 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.225 -1.398 . . . . 2.76 107.225 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.36 153.7 40.46 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 125.534 1.534 . . . . 2.8 110.706 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -46.09 -52.64 11.69 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.439 0.696 . . . . 6.77 111.861 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -43.96 -47.9 8.58 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.563 0.745 . . . . 3.31 112.108 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -72.68 -51.75 18.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.626 -0.879 . . . . 3.08 108.626 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -52.78 -34.22 52.29 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.581 -0.736 . . . . 2.1 111.201 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.63 -61.64 2.46 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.064 0.946 . . . . 3.17 110.865 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -66.5 -28.51 68.62 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.471 -0.891 . . . . 3.47 110.677 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.48 -48.24 64.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.595 1.158 . . . . 1.84 111.457 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.74 -19.55 65.94 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 120.75 -1.219 . . . . 3.47 112.011 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -73.68 -59.33 2.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.12 1.368 . . . . 5.32 110.565 167.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -45.6 -56.82 4.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.292 1.037 . . . . 2.88 110.272 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -43.16 -50.24 6.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.935 1.694 . . . . 2.08 111.614 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -56.72 -40.89 76.48 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.068 0.547 . . . . 4.06 109.924 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -69.21 -59.3 3.11 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.414 -0.804 . . . . 4.24 110.583 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.77 148.85 37.86 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.484 1.114 . . . . 2.93 111.774 -166.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -48.57 6.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.766 1.226 . . . . 3.96 109.108 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -83.73 133.04 34.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.333 -1.358 . . . . 3.42 107.333 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 127.92 48.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 105.413 -2.069 . . . . 3.3 105.413 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -78.6 165.72 23.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 119.055 0.843 . . . . 3.21 111.297 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -56.95 119.32 6.07 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.09 -1.818 . . . . 4.44 106.09 163.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 85.62 29.07 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 130.743 3.617 . . . . 5.89 111.677 -175.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -135.98 -47.66 0.66 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.779 1.232 . . . . 3.81 107.831 155.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -50.72 -56.37 12.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.696 1.198 . . . . 4.55 109.789 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.72 -49.4 35.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 123.63 0.772 . . . . 2.47 109.383 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -61.95 -45.25 94.5 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.791 -0.623 . . . . 4.24 110.889 -166.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' P' ' 37' ' ' ALA . 6.7 mt -70.73 -40.16 76.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 124.096 0.872 . . . . 3.08 110.868 174.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.82 23.89 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 110.057 -0.349 . . . . 1.63 110.057 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.92 -52.08 65.52 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.77 -0.581 . . . . 2.34 111.162 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' P' ' 34' ' ' ILE . . . -48.14 -54.3 13.79 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.841 0.856 . . . . 2.26 111.707 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -88.39 -4.05 58.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.139 1.376 . . . . 2.24 112.362 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 70.61 59.93 0.21 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.664 1.186 . . . . 2.34 111.073 171.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 31.5 mt -136.18 -179.21 5.53 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.754 2.022 . . . . 2.1 107.415 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -94.06 161.93 14.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.527 0.731 . . . . 2.28 109.852 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -46.18 -52.2 12.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.848 0.859 . . . . 3.78 111.189 173.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -49.56 -49.1 47.73 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.997 -0.371 . . . . 3.53 109.997 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.17 -41.4 97.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.78 -0.575 . . . . 2.64 110.728 -171.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.3 -54.23 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 121.453 -0.779 . . . . 1.16 109.255 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -46.61 -57.56 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.467 -0.771 . . . . 3.47 110.304 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mm -49.23 -59.33 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.91 110.631 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -49.02 -49.82 39.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.746 0.703 . . . . 1.32 110.089 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.74 -48.26 72.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.63 -0.669 . . . . 1.63 110.319 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.72 -55.53 33.71 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.802 -0.561 . . . . 5.04 109.796 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.8 -53.55 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.522 1.129 . . . . 3.48 110.05 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -39.67 66.99 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.316 0.579 . . . . 2.8 110.107 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -63.35 -47.77 80.74 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.119 -1.613 . . . . 3.55 112.355 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -56.21 -45.53 79.83 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.609 -0.682 . . . . 1.97 109.849 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.73 -58.82 5.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.456 1.102 . . . . 6.05 111.409 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.447 0 C-N-CA 126.926 2.09 . . . . 2.85 114.079 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 106.595 -1.631 . . . . 5.17 106.595 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -77.36 125.9 30.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.065 -1.087 . . . . 3.23 108.065 -175.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -61.82 142.18 57.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.459 -1.682 . . . . 4.03 106.459 153.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -46.44 -42.21 14.97 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.809 0.731 . . . . 6.3 111.351 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -39.09 -47.75 1.59 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.394 1.478 . . . . 4.94 113.1 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.11 -49.79 68.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.288 0.495 . . . . 4.08 109.67 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.54 -48.14 69.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.496 0.719 . . . . 2.73 110.811 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -44.27 -59.64 2.28 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.742 1.015 . . . . 3.64 113.742 -166.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.48 -25.64 64.17 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.079 -1.013 . . . . 4.83 112.144 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.88 -35.16 72.24 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.542 0.737 . . . . 1.95 109.536 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.29 -41.41 68.86 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.262 -0.899 . . . . 3.13 110.549 167.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.37 -38.04 68.61 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.9 0.48 . . . . 4.49 110.911 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.43 -49.2 70.54 Favored 'General case' 0 C--O 1.226 -0.154 0 O-C-N 121.233 -0.917 . . . . 3.27 110.119 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.01 -44.81 94.33 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.58 -0.526 . . . . 2.4 109.58 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -51.49 -58.66 5.66 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.744 -0.836 . . . . 5.06 108.744 171.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.73 -76.77 0.08 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.961 0.356 . . . . 4.61 111.961 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.11 93.91 4.68 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.555 1.942 . . . . 3.75 108.884 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -48.88 -44.08 39.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.169 -0.444 . . . . 5.06 111.792 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -105.05 131.2 52.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.759 1.224 . . . . 4.25 108.23 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.38 133.56 39.19 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.581 -0.699 . . . . 2.82 110.269 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -59.27 144.67 45.58 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 107.488 -1.301 . . . . 3.34 107.488 158.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -57.41 -38.51 74.43 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 120.7 -1.25 . . . . 4.55 109.596 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -67.15 64.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.8 1.64 . . . . 6.2 109.712 164.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 178.39 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.32 3.048 . . . . 3.88 105.027 171.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -51.62 -54.46 27.54 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 3.94 109.434 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.48 -47.12 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 124.282 1.033 . . . . 2.48 110.085 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.29 -45.05 67.09 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 3.6 108.543 -165.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.51 -43.24 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 123.556 0.743 . . . . 2.75 111.104 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.91 -47.74 31.98 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.483 -0.562 . . . . 1.99 109.483 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -62.98 -49.26 75.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.035 -0.507 . . . . 2.74 111.958 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 -67.66 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.751 1.22 . . . . 2.77 110.412 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.22 -20.46 65.69 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.937 0.895 . . . . 3.07 111.338 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m 63.9 53.16 1.96 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.889 1.276 . . . . 2.52 109.939 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.6 176.28 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.478 2.311 . . . . 2.14 107.505 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.8 p -77.76 158.62 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.297 0.57 . . . . 2.23 110.766 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.89 -47.17 71.39 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.058 -1.09 . . . . 4.19 108.058 167.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -38.06 -59.95 0.8 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 124.554 1.142 . . . . 3.6 110.945 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -50.96 -41.76 59.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 122.123 -0.361 . . . . 4.7 111.511 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.54 -2.07 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.304 -0.872 . . . . 2.55 111.729 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -77.15 -62.9 1.5 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 119.197 -2.19 . . . . 4.43 108.308 152.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -52.2 -54.63 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 126.242 1.817 . . . . 0.94 113.461 -168.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -55.85 -52.41 64.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.301 0.572 . . . . 1.58 110.524 -170.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -62.25 -55.96 23.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 123.09 0.556 . . . . 1.6 110.221 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -41.06 -66.17 0.36 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.688 1.595 . . . . 3.93 109.701 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -61.26 -51.32 69.4 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.716 0.806 . . . . 4.81 110.668 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -51.7 -31.18 25.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.082 0.953 . . . . 3.04 111.953 -166.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -51.19 -37.16 45.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.699 0.681 . . . . 4.74 112.717 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mmt -54.68 -33.48 60.88 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.663 -0.648 . . . . 3.7 111.795 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -103.25 -45.15 4.98 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.402 1.096 . . . . 3.79 110.953 -169.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.437 -1.1 0 N-CA-C 104.824 -2.287 . . . . 6.34 104.824 -175.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.671 -0.492 . . . . 4.06 109.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -63.76 142.16 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.694 -0.23 . . . . 3.34 110.596 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -74.82 -90.42 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.352 -0.61 . . . . 5.58 109.352 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -168.35 -49.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.324 1.45 . . . . 7.67 107.618 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -38.23 -48.1 1.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.002 1.321 . . . . 4.84 111.813 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.18 -66.43 0.46 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.498 0.719 . . . . 4.33 109.817 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -39.57 10.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.728 1.211 . . . . 3.03 111.928 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.97 -54.15 46.59 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.212 0.605 . . . . 4.67 112.467 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.72 -32.52 57.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 119.756 -0.777 . . . . 5.22 110.203 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.93 -52.04 46.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.75 1.22 . . . . 2.91 110.402 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.41 -52.91 33.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.274 0.63 . . . . 4.19 110.448 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -52.24 -52.97 49.36 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.624 0.37 . . . . 5.42 111.476 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.33 -41.58 93.86 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.381 -0.825 . . . . 4.69 110.507 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.09 -44.15 87.44 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.913 0.338 . . . . 2.26 111.913 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.23 -42.99 87.52 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.808 -0.558 . . . . 5.14 110.484 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.47 -75.7 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.882 0.372 . . . . 4.04 111.107 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.24 74.31 9.23 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.102 0.961 . . . . 3.42 110.051 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -52.7 -51.1 61.78 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.73 -0.606 . . . . 4.24 110.282 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -85.33 127.8 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.66 -1.608 . . . . 3.94 106.66 159.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 23.4 tp -105.33 108.18 19.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 106.374 -1.713 . . . . 3.09 106.374 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -62.52 145.01 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.359 -0.978 . . . . 3.1 108.359 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -48.77 -51.51 28.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.281 1.032 . . . . 5.9 112.855 -167.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -59.53 -48.07 83.09 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.154 -0.684 . . . . 8.4 109.154 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -54.54 -40.9 69.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.005 0.366 . . . . 3.9 110.367 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm105 -57.39 -47.31 82.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 121.009 -1.057 . . . . 3.45 111.362 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -54.95 -45.11 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.747 -0.464 . . . . 3.25 109.747 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.12 -54.93 41.19 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.5 -0.75 . . . . 5.27 111.507 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.59 -57.81 5.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 125.11 1.364 . . . . 2.72 109.19 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.86 -56.26 7.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.719 -1.128 . . . . 2.98 109.112 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.7 -40.77 96.22 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.261 -0.274 . . . . 3.25 110.519 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.42 72.83 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.187 0.595 . . . . 3.33 111.045 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 62.6 mt -83.85 -3.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.556 0.343 . . . . 3.14 111.158 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m 62.53 51.29 3.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.016 1.326 . . . . 3.46 110.872 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.61 -175.84 3.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 128.182 2.593 . . . . 2.49 107.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.5 p -102.94 153.47 20.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.786 0.803 . . . . 2.89 111.681 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.86 -48.22 67.24 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.371 -0.974 . . . . 4.6 108.371 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -56.97 -57.18 13.65 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.697 -0.229 . . . . 3.67 110.776 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -53.11 -46.04 68.55 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.336 -0.853 . . . . 2.87 111.042 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 110.194 -0.298 . . . . 2.4 110.194 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -48.99 -56.11 9.92 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.746 -0.835 . . . . 2.51 108.746 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mm -59.97 -40.16 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.066 0.546 . . . . 0.87 111.571 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -64.5 -49.67 70.42 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.927 -1.108 . . . . 2.09 109.107 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -58.41 -50.7 72.75 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.068 -0.716 . . . . 1.71 109.068 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.02 -58.24 6.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.073 1.349 . . . . 3.72 108.136 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.18 -63.87 0.98 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.419 -0.585 . . . . 4.18 109.419 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -56.84 -38.51 72.77 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.979 -0.451 . . . . 4.14 110.554 -173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -54.9 -44.47 74.19 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 120.711 -1.243 . . . . 3.97 113.292 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -59.06 6.03 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 107.342 -1.355 . . . . 2.51 107.342 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -53.75 -42.27 68.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.958 0.885 . . . . 4.84 111.561 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 . . . . . 0 N--CA 1.449 -0.49 0 C-N-CA 126.969 2.108 . . . . 3.38 112.604 -175.761 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.087 -1.079 . . . . 5.82 108.087 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -78.76 128.46 33.44 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.726 -0.609 . . . . 3.62 109.673 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -66.17 141.75 57.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.43 -1.322 . . . . 4.72 107.43 156.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -49.03 -36.74 18.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.112 0.965 . . . . 9.85 111.899 -175.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -43.38 -42.52 4.68 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.82 1.044 . . . . 4.96 113.82 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.08 -57.29 5.13 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.048 -1.093 . . . . 4.21 108.048 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -51.96 -36.17 48.62 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.207 1.403 . . . . 2.97 113.08 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -47.09 35.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.273 1.829 . . . . 4.91 111.762 -169.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.73 -61.5 1.91 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.755 1.264 . . . . 3.63 109.334 171.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.89 -33.08 75.01 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 112.638 -2.074 . . . . 2.64 110.023 -162.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.87 -49.91 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.483 0.583 . . . . 4.45 110.588 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.75 -46.4 82.34 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.524 -0.547 . . . . 5.9 109.524 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.17 -43.68 70.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.258 -0.401 . . . . 4.3 110.147 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.6 -39.95 95.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.433 0.56 . . . . 3.24 111.061 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -58.29 -34.97 71.12 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.357 -0.839 . . . . 5.08 110.119 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -46.86 23.84 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.467 0.707 . . . . 5.85 112.842 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.58 179.3 7.91 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 124.76 1.224 . . . . 4.31 110.051 -161.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.67 -54.76 2.58 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.876 0.871 . . . . 4.96 111.494 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -128.6 1.96 5.54 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.419 1.266 . . . . 5.68 114.419 -164.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.22 177.35 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 125.492 1.517 . . . . 3.58 112.177 174.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.7 m -97.59 145.86 25.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.75 -1.574 . . . . 4.25 106.75 159.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -42.05 -52.57 4.2 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.543 1.537 . . . . 5.67 110.955 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -42.16 -64.62 0.56 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.892 0.877 . . . . 6.94 111.683 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -59.07 -37.34 76.84 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 121.23 -0.919 . . . . 4.35 111.128 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -55.03 -45.68 75.21 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.39 0.996 . . . . 4.78 110.374 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.68 -51.04 77.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.341 -0.614 . . . . 3.16 109.341 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.72 -43.41 98.9 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.417 -0.802 . . . . 5.03 111.483 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.43 -58.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.276 1.43 . . . . 3.2 109.206 166.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.15 -52.0 22.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.337 0.655 . . . . 1.97 111.625 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -68.32 -44.13 76.04 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.631 0.651 . . . . 2.46 111.569 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.44 -53.97 52.11 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.818 0.847 . . . . 2.72 110.178 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.47 -25.12 62.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.136 0.574 . . . . 2.64 111.034 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 12.2 m 65.47 63.25 0.64 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.25 1.42 . . . . 2.14 109.154 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 75.7 mt -130.7 164.51 24.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.495 2.318 . . . . 1.61 106.209 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -76.75 153.3 35.14 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.69 0.757 . . . . 1.75 110.656 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.67 -42.1 92.14 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.489 -0.757 . . . . 4.16 109.066 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -36.82 -71.57 0.07 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.091 1.356 . . . . 3.31 109.251 163.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -50.35 -50.3 51.62 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.546 0.738 . . . . 2.08 112.091 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.05 -49.88 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 119.579 1.082 . . . . 1.29 109.83 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -49.59 -57.82 6.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.058 0.943 . . . . 2.2 109.1 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mm -51.41 -46.62 35.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 125.017 1.327 . . . . 1.08 112.849 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -55.39 -52.43 63.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.929 -0.767 . . . . 2.04 108.929 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -67.78 -42.7 81.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.067 0.547 . . . . 2.47 110.759 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -46.02 -58.82 3.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.572 0.701 . . . . 3.58 109.841 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -71.02 -43.47 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.134 -0.691 . . . . 4.73 109.134 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -54.09 -47.62 71.56 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.1 -0.333 . . . . 3.43 110.1 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -52.31 -58.8 5.54 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.023 -1.048 . . . . 4.58 110.672 171.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 34.9 mmt -50.54 -47.53 57.61 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.56 0.695 . . . . 2.28 111.027 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -67.2 -47.0 72.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.38 0.672 . . . . 3.87 109.795 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.3 t90 . . . . . 0 C--O 1.226 -0.144 0 C-N-CA 125.942 1.697 . . . . 2.71 111.437 172.324 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 CA--C 1.527 0.08 0 N-CA-C 111.782 0.289 . . . . 6.17 111.782 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -33.09 135.21 0.1 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.741 2.416 . . . . 4.04 113.087 -161.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 150.27 42.98 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.739 0.816 . . . . 4.68 108.854 175.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -54.24 -42.91 70.4 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.285 -0.26 . . . . 6.44 111.242 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -39.86 -45.99 1.91 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.895 2.078 . . . . 4.67 112.367 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.94 -54.94 11.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.878 -0.786 . . . . 3.3 108.878 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -45.97 61.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.967 0.413 . . . . 3.34 110.824 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.05 -47.32 74.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 118.338 -0.839 . . . . 3.4 113.134 -170.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.74 -27.5 50.49 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.082 -1.047 . . . . 4.38 111.047 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.01 -44.97 90.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 118.59 0.632 . . . . 1.98 109.935 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -56.66 -30.96 63.92 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.892 -0.505 . . . . 3.01 111.628 170.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -76.44 -47.9 21.51 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.958 1.303 . . . . 4.94 110.205 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -52.89 -63.08 1.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.008 -1.479 . . . . 3.52 107.008 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -80.5 63.14 4.84 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 123.103 1.43 . . . . 3.01 110.702 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -168.13 -49.32 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 127.339 2.256 . . . . 4.43 105.332 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.09 -57.63 12.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.499 -0.556 . . . . 4.16 109.499 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 179.81 6.11 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.734 1.614 . . . . 2.73 110.454 -170.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -139.51 -54.54 0.56 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 123.234 0.614 . . . . 5.05 112.179 -174.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -96.03 122.31 38.71 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.629 -0.878 . . . . 3.88 108.629 -167.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.02 132.67 46.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.512 0.725 . . . . 2.89 109.87 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -65.71 153.26 42.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.139 -1.43 . . . . 4.18 107.139 165.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.62 -46.39 77.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.466 1.03 . . . . 5.29 109.836 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -65.93 9.68 0.13 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.494 1.118 . . . . 6.42 113.829 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -116.24 -49.42 2.68 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 119.964 -1.71 . . . . 4.31 108.41 158.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.12 -44.87 3.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.351 2.26 . . . . 4.97 111.62 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.04 -64.76 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.352 1.061 . . . . 2.65 108.648 170.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -49.25 -42.23 40.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.468 1.507 . . . . 4.94 113.566 -166.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.84 -55.11 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 124.389 1.056 . . . . 2.67 108.789 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.56 83.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.097 0.559 . . . . 1.86 111.703 -170.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -62.2 -50.41 71.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.787 -0.82 . . . . 2.65 108.787 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.44 -55.47 31.32 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.76 0.824 . . . . 2.6 111.194 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.38 -43.65 93.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.099 -0.704 . . . . 3.61 109.099 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m 72.49 45.06 0.37 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.381 1.872 . . . . 2.63 111.086 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.43 -120.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 105.118 -2.178 . . . . 2.97 105.118 152.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -146.13 164.24 32.82 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.587 1.085 . . . . 2.91 109.392 166.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.28 80.44 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.502 0.721 . . . . 4.09 110.155 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -52.23 -55.59 20.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.089 0.471 . . . . 3.69 109.772 173.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.36 -37.87 82.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.512 -0.743 . . . . 2.53 111.636 -169.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.96 -51.57 68.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.093 0.86 . . . . 1.36 110.308 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -45.31 -57.29 4.11 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 108.565 -0.902 . . . . 2.46 108.565 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.8 -41.89 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.388 -0.824 . . . . 0.82 111.527 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -59.56 -49.73 76.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.663 1.119 . . . . 1.47 109.251 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -61.89 -52.42 64.19 Favored 'General case' 0 C--N 1.334 -0.081 0 O-C-N 121.781 -0.574 . . . . 3.17 109.539 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -46.97 -63.59 1.0 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.152 1.381 . . . . 3.65 108.886 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -56.87 -58.99 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.425 1.09 . . . . 3.69 110.515 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.09 -47.92 74.28 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.051 -0.352 . . . . 4.48 110.051 -173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -68.13 -45.5 73.43 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.08 -0.387 . . . . 3.66 110.797 -176.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -39.69 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.228 -0.92 . . . . 3.19 110.36 -175.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -71.18 -40.18 71.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.218 1.007 . . . . 5.44 109.404 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.515 0 CA-C-O 125.602 2.62 . . . . 3.11 109.509 166.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 105.597 -2.001 . . . . 3.96 105.597 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.84 122.9 11.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 122.282 1.039 . . . . 2.7 111.956 -166.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.66 158.05 28.38 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.047 1.739 . . . . 2.89 110.005 174.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -48.97 -53.7 18.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.558 0.743 . . . . 6.21 110.609 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -40.93 -51.6 3.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.353 1.061 . . . . 3.61 111.971 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.24 -42.0 76.22 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.246 0.618 . . . . 3.25 110.515 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -63.62 -36.57 84.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.603 -0.686 . . . . 2.09 111.454 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -56.34 15.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.907 0.883 . . . . 4.71 111.053 -158.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.75 -33.96 76.81 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 118.835 -1.146 . . . . 3.6 110.713 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.15 -38.02 89.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.639 1.176 . . . . 1.89 111.601 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.84 -47.85 64.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.986 0.812 . . . . 3.34 110.364 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -67.71 -41.79 83.01 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.853 -0.594 . . . . 4.14 110.284 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.18 -61.24 2.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 118.485 0.584 . . . . 3.28 109.779 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -48.73 -53.26 19.64 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.96 0.904 . . . . 2.16 111.578 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.15 -47.91 81.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.337 -0.847 . . . . 4.09 110.067 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.44 -47.86 68.94 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.824 0.821 . . . . 4.25 111.469 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 105.62 2.43 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.775 1.63 . . . . 2.84 110.944 -163.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 ttp-105 -72.3 -53.87 11.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.143 0.977 . . . . 5.3 109.556 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -65.19 132.27 48.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.101 -1.814 . . . . 4.64 106.101 162.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.23 -92.76 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.393 -1.706 . . . . 4.9 106.393 170.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . 0.252 1.8 t -170.45 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.09 -1.007 . . . . 4.24 108.474 163.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -141.68 -75.35 0.3 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.709 -1.219 . . . . 8.73 107.709 162.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -79.79 59.39 3.1 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.86 -1.15 . . . . 7.68 110.087 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 27.2 mmm-85 -123.31 -47.7 1.99 Allowed 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.106 -1.442 . . . . 3.73 107.106 152.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -45.51 25.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.82 1.191 . . . . 5.69 113.313 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.5 -56.12 18.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 107.54 -1.281 . . . . 2.76 107.54 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.75 -42.45 79.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.262 1.425 . . . . 4.27 110.541 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.27 -50.7 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 119.379 0.991 . . . . 2.64 109.967 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.16 84.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.74 -0.664 . . . . 2.24 110.056 -172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.73 -56.1 6.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.563 0.745 . . . . 3.0 109.017 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.7 -65.3 0.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.909 1.684 . . . . 2.64 109.821 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.06 -18.77 63.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.842 -0.599 . . . . 2.26 111.745 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 57.38 55.59 5.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.943 0.792 . . . . 2.59 108.917 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -127.89 159.68 34.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 104.971 -2.233 . . . . 1.96 104.971 171.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -68.36 152.09 45.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.671 0.748 . . . . 2.47 109.81 -171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -45.26 65.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.548 -0.72 . . . . 5.59 109.654 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -46.42 -66.76 0.36 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.536 1.135 . . . . 3.66 109.957 168.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -49.86 -44.36 49.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.662 0.385 . . . . 2.09 111.372 -173.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.55 -55.94 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.405 0.548 . . . . 1.3 110.24 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -50.68 -54.45 22.98 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.128 -0.693 . . . . 3.23 109.128 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -53.59 -41.09 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.266 0.626 . . . . 0.83 111.235 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -60.35 -54.06 50.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.443 1.02 . . . . 1.45 110.606 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -59.38 -48.88 79.94 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.428 -0.795 . . . . 1.42 110.0 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.91 -47.16 77.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.997 0.919 . . . . 4.78 110.505 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.14 -55.78 24.44 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.518 -0.919 . . . . 3.3 108.518 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.96 -36.65 68.06 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 119.006 -0.521 . . . . 3.07 111.967 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.95 -53.48 56.35 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.548 1.067 . . . . 4.74 110.562 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -58.57 -37.03 74.88 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.028 0.751 . . . . 2.25 113.028 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -68.83 -47.06 66.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.319 1.057 . . . . 5.39 109.344 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 71.3 t90 . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 106.532 -1.655 . . . . 2.88 106.532 169.485 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.237 0.415 0 N-CA-C 108.919 -0.771 . . . . 5.63 108.919 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.56 115.75 26.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.907 -0.496 . . . . 4.21 111.847 -163.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 63.0 p -56.28 155.98 6.26 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 109.585 -0.524 . . . . 4.41 109.585 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -49.94 -50.61 45.98 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.956 -0.387 . . . . 7.96 109.956 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.48 -51.32 36.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.723 -0.611 . . . . 5.16 110.536 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -82.2 42.86 0.76 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.683 -0.636 . . . . 3.82 111.132 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -146.72 -55.05 0.25 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 3.75 105.945 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -40.88 -43.69 2.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.969 2.108 . . . . 4.33 115.166 -172.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.64 -35.67 14.08 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 119.073 0.851 . . . . 5.32 112.076 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.28 -33.78 63.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.923 0.889 . . . . 3.68 110.06 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.3 -60.16 2.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 4.82 111.601 169.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -66.79 -36.69 83.0 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 119.434 -0.317 . . . . 7.64 111.287 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -58.3 -54.03 51.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 120.425 -0.51 . . . . 4.93 110.458 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.02 -44.92 61.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.271 0.487 . . . . 3.7 109.756 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -57.15 -58.26 8.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.374 -0.346 . . . . 6.52 111.005 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.22 -57.05 10.6 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.895 0.771 . . . . 7.24 111.231 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 112.0 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.895 1.678 . . . . 4.22 111.048 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -71.28 -51.09 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.143 -1.058 . . . . 6.61 108.143 160.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.88 78.22 4.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.301 -0.629 . . . . 4.6 109.301 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.35 125.93 25.54 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.668 -1.234 . . . . 3.88 107.668 162.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 145.24 20.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.872 -1.159 . . . . 5.49 107.872 161.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -44.96 -64.16 0.77 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.554 0.742 . . . . 6.79 110.064 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -83.61 42.55 0.85 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.981 -1.075 . . . . 8.01 112.043 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -114.47 -52.82 2.7 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 106.23 -1.767 . . . . 9.26 106.23 146.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -50.83 -41.73 57.89 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.688 1.195 . . . . 4.69 111.971 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.64 -48.57 86.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 120.901 -1.125 . . . . 4.25 109.835 172.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.9 -36.78 75.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.612 1.165 . . . . 6.02 112.407 -174.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 32.6 mm -47.39 -55.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.377 0.608 . . . . 3.88 110.014 168.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.64 65.36 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.657 1.183 . . . . 3.37 109.824 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -57.25 -56.46 21.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.377 -0.231 . . . . 5.01 110.377 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.47 -55.69 20.24 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.816 0.846 . . . . 4.32 111.592 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -75.18 -17.93 60.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.186 -0.461 . . . . 3.85 111.003 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m 59.41 60.15 2.4 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.346 1.458 . . . . 4.5 108.953 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -126.5 162.51 25.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.961 -1.866 . . . . 3.02 105.961 171.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.76 151.99 41.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.816 -0.809 . . . . 3.17 108.816 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' P' ' 42' ' ' GLU . 0.0 OUTLIER -51.34 -48.01 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.967 0.907 . . . . 4.98 110.567 178.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -49.68 -55.61 13.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.678 -0.86 . . . . 3.02 108.678 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -51.28 -48.29 62.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.273 0.559 . . . . 3.86 110.888 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -54.93 -49.13 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.221 0.534 . . . . 2.15 109.714 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -48.54 77.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.727 -0.608 . . . . 2.9 110.257 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.89 -49.1 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.144 0.578 . . . . 0.89 110.1 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -47.76 -52.32 19.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.864 0.756 . . . . 2.52 109.352 175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -62.68 -58.81 6.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.92 -0.488 . . . . 3.1 110.1 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -59.01 -49.65 77.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.386 0.674 . . . . 4.85 110.05 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.95 -50.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.95 -0.759 . . . . 3.97 108.95 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -60.28 -32.34 71.1 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.453 -0.573 . . . . 3.86 109.453 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -50.88 63.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.371 -1.455 . . . . 4.66 111.333 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -51.9 -44.75 63.91 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.899 0.857 . . . . 3.11 110.566 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -57.72 -64.86 0.75 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.31 1.444 . . . . 5.88 110.626 169.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.226 -0.132 0 C-N-CA 128.227 2.611 . . . . 3.19 113.381 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 107.357 -1.349 . . . . 4.27 107.357 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -62.84 149.11 45.12 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.609 -1.626 . . . . 3.21 106.609 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -79.02 -140.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.42 -0.585 . . . . 3.72 109.42 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -100.42 -47.01 5.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 120.249 -1.532 . . . . 9.24 107.616 160.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -50.8 -52.08 44.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.51 0.724 . . . . 3.21 111.715 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.43 -42.51 87.44 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.281 -0.637 . . . . 4.12 109.281 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -67.2 -30.86 70.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.479 1.112 . . . . 2.67 111.536 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -70.29 0.1 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.082 1.353 . . . . 3.2 113.078 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.45 -28.43 69.27 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.252 -0.579 . . . . 3.82 111.054 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.52 -38.2 88.97 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 119.091 -0.48 . . . . 2.06 110.873 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.23 -47.3 86.7 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.61 1.096 . . . . 3.79 110.702 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -53.89 -49.8 67.77 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.57 -0.53 . . . . 4.49 109.57 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -66.14 -62.25 1.59 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.533 1.133 . . . . 2.88 109.042 -174.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -57.35 -40.41 77.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.77 1.168 . . . . 3.21 112.919 -172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -68.72 -14.59 63.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.819 -1.175 . . . . 8.21 111.545 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.34 -71.63 0.7 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.314 1.046 . . . . 4.98 110.024 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -90.56 97.9 11.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 127.442 2.297 . . . . 3.72 108.048 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.54 -56.57 5.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.133 -1.062 . . . . 6.37 108.133 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -82.89 125.75 31.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.572 -1.27 . . . . 4.49 107.572 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -117.31 120.05 37.01 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.563 1.945 . . . . 2.63 106.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.2 p -67.69 159.73 29.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.361 0.528 . . . . 3.72 109.821 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -54.21 -53.15 57.44 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.33 0.652 . . . . 4.58 109.59 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -48.68 -61.39 2.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.056 0.542 . . . . 6.36 110.265 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -58.07 -43.83 87.17 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 118.056 0.389 . . . . 4.15 110.17 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -55.96 -47.45 77.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.521 1.055 . . . . 4.1 112.249 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -54.9 -49.5 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.343 -0.243 . . . . 2.54 110.343 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -59.51 -50.19 74.86 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 118.911 -0.566 . . . . 3.66 111.884 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.19 -57.27 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 125.775 1.63 . . . . 2.03 108.279 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.04 -49.61 60.22 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 1.71 111.044 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -67.98 -36.93 80.86 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.874 -0.516 . . . . 2.34 112.293 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.09 -56.06 17.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.035 0.934 . . . . 2.33 109.55 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.74 -18.51 60.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 118.949 -0.548 . . . . 2.56 111.883 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m 66.02 67.12 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.154 0.981 . . . . 2.2 109.286 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.21 168.28 19.92 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.173 2.189 . . . . 1.81 106.269 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 21.0 p -77.55 158.87 29.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.269 0.94 . . . . 2.26 109.51 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -55.03 -41.13 70.99 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.662 -0.866 . . . . 3.68 108.662 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -51.35 -54.48 25.95 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.244 -0.65 . . . . 3.57 109.244 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -54.88 -44.49 74.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.037 -0.665 . . . . 2.3 111.153 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.99 -52.37 61.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 121.12 -0.988 . . . . 1.29 110.357 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -45.98 -59.57 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.495 1.518 . . . . 2.39 108.875 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.6 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 C-N-CA 126.302 1.841 . . . . 0.99 110.975 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -54.5 -54.45 40.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.956 0.884 . . . . 1.68 109.176 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.93 -53.06 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.537 0.735 . . . . 1.62 110.174 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -48.38 -62.16 1.63 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.749 1.62 . . . . 3.75 108.986 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -46.09 -52.7 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.114 1.766 . . . . 3.44 110.461 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.76 -47.03 64.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 119.032 -0.508 . . . . 3.81 111.595 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -50.72 -43.81 58.06 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.657 1.117 . . . . 4.49 113.097 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -54.66 43.45 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 107.967 -1.123 . . . . 2.14 107.967 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -69.79 -48.78 57.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 5.81 108.744 -170.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.5 t90 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 126.949 2.1 . . . . 2.63 112.657 172.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.234 0.275 0 N-CA-C 113.721 1.008 . . . . 5.14 113.721 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -63.03 137.16 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.804 -1.554 . . . . 3.56 106.804 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -69.13 165.45 20.31 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.179 -1.045 . . . . 3.46 108.179 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -58.08 -51.83 68.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.124 -1.03 . . . . 9.37 108.685 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -39.47 -47.47 1.84 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.327 1.451 . . . . 4.78 113.162 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -57.71 -64.74 0.8 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.079 0.943 . . . . 3.54 109.813 173.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -45.73 -39.27 7.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.289 1.836 . . . . 2.78 113.424 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.21 -54.43 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.926 0.89 . . . . 5.11 112.265 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.5 -28.96 62.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.21 -0.596 . . . . 4.81 110.902 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.54 -44.44 90.82 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.748 0.819 . . . . 2.44 110.539 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -55.83 -42.82 76.3 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.925 -1.109 . . . . 3.83 110.923 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.18 -48.37 80.52 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.46 0.475 . . . . 5.06 109.818 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.61 -49.29 75.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.961 -1.019 . . . . 4.14 110.703 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -52.5 -45.07 66.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.72 0.691 . . . . 2.6 110.143 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -53.96 -56.58 16.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 4.77 109.786 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.12 -53.84 39.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 123.654 0.782 . . . . 8.03 111.146 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.88 117.1 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.101 -1.074 . . . . 4.41 108.101 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -69.06 -39.12 79.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.452 0.701 . . . . 5.64 109.459 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 120.52 39.18 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.29 -0.882 . . . . 7.32 109.326 167.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.13 161.0 26.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.598 1.159 . . . . 3.2 108.578 164.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -91.47 160.94 15.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.651 1.98 . . . . 4.39 108.716 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -82.9 59.92 5.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.342 -0.849 . . . . 4.99 111.312 -170.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -143.57 -61.94 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 104.596 -2.372 . . . . 9.36 104.596 161.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -47.67 -46.09 28.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.861 1.265 . . . . 5.08 112.114 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm105 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.378 -0.826 . . . . 4.71 110.922 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.82 -54.72 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 108.168 -1.049 . . . . 3.1 108.168 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -49.28 -39.41 30.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.171 0.188 . . . . 4.31 111.158 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -68.67 -44.64 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 124.063 0.945 . . . . 3.05 112.02 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.95 34.47 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.145 -0.347 . . . . 1.81 110.783 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -68.41 -51.58 42.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.448 -0.311 . . . . 2.51 110.832 171.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.86 -56.79 3.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.457 1.503 . . . . 2.41 112.277 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.96 -11.0 54.18 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.299 0.639 . . . . 2.87 112.083 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m 65.01 43.1 3.89 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.53 1.132 . . . . 2.27 110.69 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.29 -162.6 0.94 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.767 -1.568 . . . . 2.23 106.767 167.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.3 160.35 22.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.396 -1.705 . . . . 3.61 106.396 170.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.1 -40.69 70.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.273 -1.346 . . . . 4.69 112.73 -173.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -49.13 -49.33 42.7 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 119.917 1.235 . . . . 3.64 110.052 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -55.86 -51.66 66.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 118.407 0.549 . . . . 3.97 110.593 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.93 -56.59 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.014 -1.054 . . . . 1.28 109.629 -175.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -41.75 -58.04 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.377 1.871 . . . . 2.33 109.416 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.79 -54.97 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.209 1.404 . . . . 1.06 110.981 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -52.99 -50.38 64.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.022 -0.733 . . . . 1.6 109.022 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -59.05 -55.77 30.82 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.636 -0.665 . . . . 1.89 110.513 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -51.86 -59.53 4.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.493 1.139 . . . . 5.15 109.693 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -62.05 -41.97 98.69 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.596 1.558 . . . . 4.08 110.067 -171.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -39.36 93.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.215 0.606 . . . . 3.39 109.901 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.01 -53.25 58.23 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.245 -0.909 . . . . 3.87 112.063 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -35.71 -53.75 0.71 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.253 1.502 . . . . 2.13 110.765 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -79.33 -38.45 35.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.059 -1.882 . . . . 5.96 110.289 -165.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 7.2 t90 . . . . . 0 N--CA 1.438 -1.073 0 N-CA-C 106.504 -1.665 . . . . 5.2 106.504 170.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 1 O4'-C1'-N19 113.73 7.412 . . . . 5.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C4'-C3' 108.426 2.826 . . . . 4.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 P-O3'-C3' 123.367 3.056 . . . . 4.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.495 1 O4'-C1'-N19 111.454 4.568 . . . . 5.51 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.623 3.529 . . . . 2.51 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 O3'-P-O5' 110.086 3.203 . . . . 2.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C4'-C3'-C2' 99.28 -3.92 . . . . 1.44 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.341 0 O4'-C4'-C3' 109.401 3.801 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 1 O4'-C1'-C2' 101.689 -4.01 . . . . 2.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.884 0 P-O3'-C3' 124.308 3.84 . . . . 2.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . 0.416 ' C2 ' ' C2 ' ' B' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 C4'-C3'-C2' 98.925 -4.275 . . . . 3.37 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . 0.489 ' H21' ' NH2' ' P' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.214 2 O4'-C1'-N19 111.741 4.926 . . . . 4.79 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . 0.496 " H5'" ' HE ' ' P' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.815 1 O4'-C4'-C3' 109.985 4.385 . . . . 2.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 C4'-C3'-C2' 99.926 -3.274 . . . . 3.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.488 1 O4'-C1'-N19 111.849 5.062 . . . . 6.3 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 0 P-O3'-C3' 123.227 2.939 . . . . 5.72 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.011 0 P-O3'-C3' 123.375 3.063 . . . . 4.88 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.123 3 O5'-C5'-C4' 118.122 5.659 . . . . 3.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.416 ' C2 ' ' C2 ' ' A' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.272 1 P-O3'-C3' 124.563 4.053 . . . . 2.66 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 2 O4'-C1'-N19 111.832 5.04 . . . . 2.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . 0.457 ' H71' HE22 ' P' ' 50' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 123.538 3.198 . . . . 1.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.545 0 P-O3'-C3' 123.623 3.269 . . . . 2.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.929 0 P-O3'-C3' 124.14 3.7 . . . . 3.03 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 P-O3'-C3' 123.691 3.326 . . . . 3.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 112.462 5.827 . . . . 3.92 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.636 0 O4'-C1'-N19 110.375 3.219 . . . . 4.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 2 O4'-C1'-N19 111.661 4.827 . . . . 4.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O4'-C1'-N19 110.42 3.275 . . . . 4.95 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 109.66 -0.496 . . . . 19.95 109.66 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -75.57 66.51 1.94 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.452 -0.78 . . . . 21.86 111.297 174.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 tttm 176.99 120.01 0.03 OUTLIER 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.739 2.415 . . . . 19.94 106.091 159.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.489 ' NH2' ' H21' ' A' ' 12' ' ' ' DG' . 22.2 tpp180 33.63 66.86 0.22 Allowed 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 127.106 2.162 . . . . 13.2 110.813 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -35.33 -51.16 0.95 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.349 1.928 . . . . 8.87 111.784 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.496 ' HE ' " H5'" ' A' ' 13' ' ' ' DA' . 0.0 OUTLIER -19.39 -59.25 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 129.818 3.247 . . . . 8.03 114.945 162.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -170.12 89.45 0.16 Allowed 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 129.496 3.118 . . . . 5.34 108.091 -164.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -76.79 110.12 11.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.657 -1.238 . . . . 4.25 107.657 167.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -77.93 109.91 12.39 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.149 -1.426 . . . . 2.84 107.149 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.89 146.75 29.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.381 0.672 . . . . 3.37 112.408 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -24.28 -64.93 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 127.892 2.477 . . . . 8.27 113.756 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -47.93 -44.38 29.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.11 0.868 . . . . 4.2 111.885 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -62.96 -53.74 49.32 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.173 -1.417 . . . . 3.82 107.173 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -20.75 34.15 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.676 1.19 . . . . 2.35 113.923 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.31 -68.49 0.38 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.723 -1.236 . . . . 3.74 110.294 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.6 -33.33 70.93 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.026 -0.534 . . . . 3.73 110.143 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -59.41 -40.77 87.73 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 123.198 0.311 . . . . 2.1 110.566 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.79 -45.82 88.99 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.861 0.755 . . . . 3.83 110.926 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -62.57 -47.73 82.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.13 -0.941 . . . . 4.24 110.128 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -51.74 -58.42 6.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 122.001 -0.437 . . . . 3.27 109.881 169.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 34.0 t80 -48.25 -46.22 35.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.394 0.678 . . . . 3.13 111.332 -178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -52.25 -49.12 64.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.181 0.592 . . . . 4.53 110.192 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -69.81 -45.14 68.54 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.934 0.494 . . . . 5.31 112.069 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.32 98.92 1.88 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.524 1.53 . . . . 3.03 111.28 -163.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -63.65 -55.22 25.25 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.104 -1.073 . . . . 4.66 108.104 168.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -66.35 126.19 27.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.085 1.354 . . . . 3.66 107.988 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mp -107.55 135.12 49.54 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 105.304 -2.109 . . . . 3.06 105.304 162.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -57.36 136.19 56.57 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.976 -1.49 . . . . 4.89 106.976 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -33.42 -72.32 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.171 1.789 . . . . 7.11 113.709 -159.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -74.52 0.26 15.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 113.581 0.956 . . . . 11.06 113.581 -168.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.2 79.98 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 120.305 -1.497 . . . . 4.73 108.079 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -51.49 -43.27 62.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.935 -1.103 . . . . 4.72 110.352 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.36 -47.89 86.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 124.242 1.017 . . . . 2.85 109.501 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.09 -44.3 91.91 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 109.169 -0.678 . . . . 4.24 109.169 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -56.58 -52.13 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.515 -0.741 . . . . 2.41 109.632 171.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -43.34 61.88 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.005 0.922 . . . . 1.78 111.577 -172.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -71.66 -50.2 32.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 119.651 -0.214 . . . . 2.5 110.78 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.43 16.23 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.267 0.84 . . . . 2.72 113.267 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 68.0 mt -106.31 -8.35 17.3 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 114.519 1.303 . . . . 2.37 114.519 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m 66.51 53.93 0.92 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.173 0.897 . . . . 2.17 112.462 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . 0.437 ' HB2' HD11 ' P' ' 45' ' ' ILE . 17.3 mt -120.54 -172.26 2.34 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 126.886 2.074 . . . . 1.96 106.965 173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.77 151.38 25.78 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.917 -1.114 . . . . 1.92 108.662 173.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.01 -50.8 10.5 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.885 0.874 . . . . 3.64 110.274 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -36.21 -60.62 0.55 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.318 1.847 . . . . 5.51 109.81 173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.13 -32.42 73.98 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.985 0.914 . . . . 2.32 110.798 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' P' ' 40' ' ' LEU . 9.4 mm -74.34 -25.29 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 O-C-N 121.188 -0.945 . . . . 1.43 110.898 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.91 -60.22 3.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.193 -1.567 . . . . 2.5 107.111 164.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -57.98 -53.42 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 124.888 1.275 . . . . 1.04 111.696 -162.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -50.1 -46.69 53.82 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.097 0.951 . . . . 1.55 110.167 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -69.17 -47.32 65.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.773 -0.579 . . . . 1.53 110.099 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . 0.457 HE22 ' H71' ' B' ' 21' ' ' ' DT' . 23.4 tt0 -54.15 -57.99 9.06 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.461 1.104 . . . . 3.68 108.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -48.39 -54.49 13.82 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.112 1.365 . . . . 4.03 112.143 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 6.2 mpt_? -53.29 -54.89 29.73 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 121.274 -0.17 . . . . 3.55 111.084 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -49.56 -55.86 11.98 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.434 1.094 . . . . 4.83 111.593 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.28 -59.36 1.84 Allowed 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.11 1.364 . . . . 2.56 110.478 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -68.87 -50.28 51.13 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.127 -0.488 . . . . 5.42 109.754 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -43.95 -40.69 4.82 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.358 1.463 . . . . 2.73 111.8 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -57.32 -53.21 60.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.798 -0.564 . . . . 5.0 110.632 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -56.48 -42.94 79.12 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.572 0.624 . . . . 8.54 109.516 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -78.2 -45.4 23.17 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.943 1.09 . . . . 4.81 113.943 -167.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER -86.64 64.87 8.75 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 122.485 1.136 . . . . 5.74 111.94 -155.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 pttp 53.78 58.96 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 126.537 1.935 . . . . 11.11 111.172 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.1 p -105.27 65.41 0.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.586 0.754 . . . . 13.09 109.846 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -67.22 176.29 2.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.723 -0.844 . . . . 15.51 108.723 161.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.0 -45.46 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 121.361 -0.837 . . . . 20.65 111.493 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -28.9 118.47 0.28 Allowed Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 127.972 2.509 . . . . 21.21 110.141 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -45.14 123.46 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.366 2.71 . . . . 25.52 111.943 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 107.616 -2.193 . . . . 24.51 107.616 -176.076 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 2 C4'-C3'-C2' 97.424 -5.776 . . . . 5.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.986 3.982 . . . . 6.35 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 123.97 3.559 . . . . 5.84 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C4'-C3' 108.314 2.714 . . . . 3.82 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.254 3.067 . . . . 2.65 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.371 1 P-O3'-C3' 124.958 4.382 . . . . 2.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 111.839 5.049 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 0 OP1-P-OP2 115.246 -2.902 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.513 " H2'" ' H72' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.914 2 O4'-C1'-N19 111.693 4.866 . . . . 1.53 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.513 ' H72' " H2'" ' A' ' 9' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C4'-C3' 108.269 2.669 . . . . 1.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.798 4.997 . . . . 2.82 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 0 C1'-O4'-C4' 105.686 -2.867 . . . . 3.28 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.986 0 N19-C1'-C2' 108.33 -3.668 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 2 P-O3'-C3' 125.767 5.056 . . . . 3.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.96 1 O4'-C1'-N19 113.388 6.985 . . . . 3.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.536 1 O4'-C1'-N19 112.4 5.75 . . . . 3.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.754 0 O4'-C1'-N19 110.704 3.63 . . . . 3.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 0 O4'-C1'-C2' 102.072 -3.662 . . . . 3.09 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 P-O3'-C3' 123.624 3.27 . . . . 2.89 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 3 O4'-C1'-N19 112.339 5.674 . . . . 2.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 1 P-O3'-C3' 125.281 4.651 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.223 0 P-O3'-C3' 124.005 3.587 . . . . 2.43 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.631 3.276 . . . . 2.88 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.074 0 P-O3'-C3' 124.417 3.931 . . . . 2.3 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 0 O4'-C1'-C2' 102.216 -3.531 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.663 2 O4'-C1'-N19 113.204 6.755 . . . . 2.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.466 3.332 . . . . 3.53 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 1 O4'-C1'-N19 112.916 6.395 . . . . 4.89 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 17.6 mtt . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 109.22 -0.659 . . . . 15.7 109.22 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -50.76 119.85 4.24 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.214 1.006 . . . . 13.86 110.367 -176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -60.78 151.22 30.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.136 0.493 . . . . 12.35 111.552 -171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -119.67 154.08 34.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.657 -2.349 . . . . 7.89 104.657 157.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.47 167.82 39.1 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 108.923 -1.671 . . . . 5.11 108.923 166.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -103.21 -165.86 1.21 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.077 -1.823 . . . . 5.21 106.077 147.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -160.94 111.64 1.77 Allowed 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.175 -0.953 . . . . 6.49 111.008 -163.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.32 89.15 6.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.843 -1.54 . . . . 6.6 106.843 154.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -48.52 148.44 2.02 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.679 1.192 . . . . 4.17 110.632 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -69.28 157.49 36.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.9 -0.5 . . . . 3.87 110.236 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -54.65 -52.43 62.34 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.465 -0.939 . . . . 7.58 108.465 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -46.11 -54.71 8.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.309 1.044 . . . . 3.61 111.697 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -59.13 -56.09 26.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.792 -0.447 . . . . 3.56 109.792 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.45 -39.16 64.22 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.73 0.3 . . . . 3.31 110.881 -175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.56 -54.59 35.27 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.31 1.044 . . . . 4.33 112.983 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -81.55 -30.63 33.03 Favored 'General case' 0 CA--C 1.522 -0.126 0 O-C-N 121.88 -0.513 . . . . 3.6 110.843 -175.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 71.4 mt -56.85 -50.22 73.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.675 -0.491 . . . . 2.05 109.675 172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -58.5 -39.37 79.86 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.459 -0.776 . . . . 4.6 111.55 172.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -53.89 -60.65 3.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.166 -0.445 . . . . 6.57 109.915 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -57.77 -39.89 78.49 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.331 0.969 . . . . 3.49 110.444 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.08 -37.76 72.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.934 -0.479 . . . . 2.35 111.937 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -76.79 -50.62 13.07 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.117 0.967 . . . . 5.65 110.115 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.62 -37.92 80.13 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.56 1.544 . . . . 4.48 111.46 -167.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.9 -111.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.801 1.641 . . . . 3.81 106.667 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -161.07 -52.0 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 120.371 1.441 . . . . 4.69 109.951 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.46 9.31 4.33 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.892 0.701 . . . . 7.88 112.892 -156.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.43 150.3 0.1 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.351 1.46 . . . . 2.75 109.354 -171.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -67.87 -72.76 0.16 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.048 0.939 . . . . 4.07 109.976 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -159.43 -88.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.151 1.78 . . . . 6.15 107.404 171.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -52.01 -32.67 34.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.804 2.093 . . . . 7.28 113.401 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -44.53 -35.96 2.76 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.381 0.992 . . . . 3.94 112.037 173.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -50.39 -55.1 17.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.42 1.488 . . . . 3.34 110.796 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.49 -48.78 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.067 0.947 . . . . 2.74 108.53 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -64.0 -39.08 93.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.624 0.37 . . . . 3.68 111.573 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 mm -57.57 -58.75 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 C-N-CA 125.173 1.389 . . . . 2.18 108.277 170.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.48 55.45 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.73 -0.668 . . . . 1.89 111.054 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.72 -52.37 63.54 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.179 0.591 . . . . 2.99 110.884 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.85 3.78 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.495 0.718 . . . . 2.39 110.628 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.28 -16.94 63.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.598 0.759 . . . . 2.21 111.533 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m 64.18 38.92 7.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.861 2.064 . . . . 2.43 110.772 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.44 179.82 4.09 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.711 1.605 . . . . 1.86 107.691 173.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -89.09 146.84 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.291 1.037 . . . . 2.1 109.759 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -46.51 -44.11 17.42 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 118.439 0.563 . . . . 3.3 109.961 170.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttm105 -46.57 -68.61 0.18 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.347 0.659 . . . . 3.51 109.856 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -55.36 -41.14 72.15 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 121.726 -0.609 . . . . 4.88 110.491 -172.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.51 -52.65 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 109.976 -0.379 . . . . 1.45 109.976 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -53.8 -48.36 69.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 120.928 -1.107 . . . . 2.46 109.5 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.734 0.697 . . . . 1.01 111.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -53.83 -59.65 4.35 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 119.106 0.866 . . . . 2.01 109.838 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -58.94 -50.4 74.21 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.466 -0.772 . . . . 1.43 110.443 -172.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -43.2 -68.6 0.18 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.707 1.603 . . . . 3.69 109.469 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . 0.263 21.0 p30 -66.7 -38.86 87.6 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.103 -0.373 . . . . 3.84 111.705 -166.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -55.6 -54.35 45.21 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.417 -0.586 . . . . 2.94 109.417 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttp85 -56.3 -37.96 70.6 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 120.967 -1.083 . . . . 4.22 111.716 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.81 -46.86 80.24 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.163 0.506 . . . . 2.05 110.065 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -93.21 41.32 1.08 Allowed 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.3 1.44 . . . . 4.77 111.702 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -148.71 146.81 28.28 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 125.419 1.488 . . . . 3.64 107.762 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 138.64 -66.22 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 1 C-N-CA 135.816 5.647 . . . . 8.95 106.77 175.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -55.59 -59.5 4.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.744 0.702 . . . . 7.22 109.262 171.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.51 53.94 2.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.042 0.937 . . . . 4.82 109.078 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -48.36 -51.22 27.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.003 0.742 . . . . 6.62 113.003 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -117.47 158.15 25.01 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 102.547 -3.131 . . . . 13.33 102.547 166.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.47 116.16 4.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 104.993 -2.225 . . . . 12.34 104.993 158.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -85.49 62.26 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 106.389 -1.708 . . . . 14.12 106.389 -172.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.81 41.2 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 110.17 -1.172 . . . . 16.72 110.17 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.56 126.83 71.41 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-O 118.611 -0.709 . . . . 18.23 109.39 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.96 176.17 7.28 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.712 1.608 . . . . 21.56 109.934 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.745 0 N-CA-C 109.992 -1.243 . . . . 22.17 109.992 179.279 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 1 O4'-C1'-N19 112.066 5.332 . . . . 5.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 O4'-C4'-C3' 108.291 2.691 . . . . 5.89 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.065 0 P-O3'-C3' 124.394 3.911 . . . . 5.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.472 4 O4'-C1'-N19 113.569 7.211 . . . . 3.92 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.851 0 O4'-C1'-N19 110.814 3.768 . . . . 3.1 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.89 1 O4'-C1'-N19 113.734 7.418 . . . . 2.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 1 O4'-C1'-N19 111.891 5.113 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.648 0 O4'-C1'-C2' 102.391 -3.372 . . . . 1.26 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.108 1 O4'-C1'-N19 111.661 4.826 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 103.035 -2.786 . . . . 1.6 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.915 1 O4'-C1'-N19 111.64 4.8 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 0 O4'-C4'-C3' 108.496 2.896 . . . . 2.39 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 2 P-O3'-C3' 127.114 6.178 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 0 O4'-C1'-N19 109.546 2.182 . . . . 2.96 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 2 O4'-C1'-N19 112.101 5.376 . . . . 4.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.302 1 O4'-C1'-N19 111.012 4.016 . . . . 4.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 O3'-P-O5' 111.154 3.765 . . . . 3.67 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 2 P-O3'-C3' 124.607 4.089 . . . . 2.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 0 O4'-C1'-N19 109.841 2.552 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 2 O4'-C1'-N19 112.686 6.107 . . . . 2.69 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.519 1 P-O3'-C3' 126.539 5.699 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 0 N19-C1'-C2' 109.26 -3.087 . . . . 2.08 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 P-O3'-C3' 123.832 3.443 . . . . 1.88 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 C4'-C3'-C2' 99.998 -3.202 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.598 2.998 . . . . 3.7 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 1 O4'-C1'-N19 111.187 4.233 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 O4'-C1'-N19 110.263 3.079 . . . . 3.59 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 0 O4'-C1'-N19 110.738 3.673 . . . . 4.39 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 34.6 mtm . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 109.854 -0.424 . . . . 16.69 109.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -93.4 164.35 13.24 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.053 -1.092 . . . . 17.49 108.053 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -58.12 163.01 3.07 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.071 -0.714 . . . . 13.56 109.071 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -57.27 158.27 5.56 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.072 -1.085 . . . . 7.75 108.072 158.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.55 164.53 36.3 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 106.889 -2.484 . . . . 5.56 106.889 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -94.05 151.3 19.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.492 1.146 . . . . 5.52 110.412 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -80.87 179.75 7.68 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.24 1.016 . . . . 3.68 109.949 170.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -150.54 146.67 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.547 -1.649 . . . . 5.02 106.547 172.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -105.2 146.85 28.7 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 123.395 0.678 . . . . 3.52 110.808 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 70.7 p -70.48 -90.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.445 0.698 . . . . 4.44 109.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -172.94 -45.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 127.714 2.406 . . . . 7.31 107.19 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -43.36 -48.76 7.01 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.198 1.399 . . . . 3.77 110.997 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.59 -56.99 14.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.573 -0.899 . . . . 3.24 108.573 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -36.08 82.97 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.808 1.243 . . . . 2.79 111.822 -175.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.23 -47.12 72.54 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.474 -0.766 . . . . 3.31 112.346 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.77 -52.82 10.52 Favored 'General case' 0 C--N 1.338 0.066 0 C-N-CA 124.559 1.144 . . . . 5.09 110.044 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.56 -38.11 59.45 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.615 -1.175 . . . . 1.83 108.927 -164.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -57.53 -42.72 83.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.642 -0.661 . . . . 3.11 110.365 167.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -59.06 -48.83 80.15 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.459 -0.776 . . . . 4.84 110.681 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.6 -51.86 65.73 Favored 'General case' 0 C--O 1.224 -0.238 0 O-C-N 121.638 -0.664 . . . . 3.3 109.343 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' P' ' 52' ' ' ARG . 5.9 t80 -56.8 -43.89 81.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.421 0.629 . . . . 1.91 110.659 -175.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -64.16 -33.08 74.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.16 0.984 . . . . 5.0 111.318 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.77 -70.74 0.22 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.353 0.661 . . . . 3.88 109.38 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.81 -165.09 1.19 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.24 1.016 . . . . 4.38 109.551 170.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -118.72 -27.84 5.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.575 0.75 . . . . 3.97 112.831 -171.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -93.02 78.31 4.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.368 -0.975 . . . . 3.98 108.368 -176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.52 150.3 15.58 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.689 -0.804 . . . . 2.54 110.098 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 6.5 p -72.32 157.73 37.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.107 0.963 . . . . 3.86 108.434 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -64.21 -51.66 62.62 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 106.927 -1.509 . . . . 6.43 106.927 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -75.6 40.8 0.18 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.543 0.687 . . . . 6.29 111.592 171.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -129.6 -47.19 1.16 Allowed 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.503 -1.295 . . . . 4.92 107.503 143.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -62.15 -30.29 70.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.803 0.841 . . . . 4.42 112.275 -172.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.18 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 107.722 -1.214 . . . . 2.59 107.722 167.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' P' ' 33' ' ' GLU . 22.1 mm-40 -49.45 -51.68 34.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.239 1.815 . . . . 4.08 110.245 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -41.31 -61.83 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 128.164 2.586 . . . . 2.03 110.687 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.01 57.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.824 0.85 . . . . 1.67 110.626 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -66.28 -41.55 89.69 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.235 0.541 . . . . 2.44 110.13 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.47 82.66 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 124.342 1.057 . . . . 2.19 111.918 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.0 mt -91.54 -14.19 30.78 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.044 0.538 . . . . 2.19 111.996 175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 39.6 m 51.85 67.35 0.98 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.994 0.917 . . . . 2.27 109.606 -164.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.94 155.55 45.88 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.51 -2.033 . . . . 1.78 105.51 165.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.0 p -69.37 150.97 46.72 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.761 -0.829 . . . . 2.11 108.761 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.54 -37.36 72.95 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 121.582 -0.699 . . . . 3.48 109.754 170.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -40.22 -69.41 0.13 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.204 1.002 . . . . 3.66 110.22 164.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -57.06 -37.97 72.59 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.675 -0.641 . . . . 2.19 111.169 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 33.1 mm -58.61 -55.58 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.286 0.948 . . . . 1.15 110.371 175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -48.81 -55.58 11.16 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.357 -0.979 . . . . 2.46 108.357 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -57.08 -47.53 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.182 0.993 . . . . 0.83 111.862 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -53.54 -51.91 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.171 -0.956 . . . . 1.33 108.935 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -62.26 -46.29 89.47 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 121.586 -0.696 . . . . 1.37 110.331 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -49.32 -58.49 4.99 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.203 1.401 . . . . 4.36 108.974 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -51.5 -51.36 55.81 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 122.385 1.088 . . . . 3.57 108.235 -174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . 0.412 ' HB3' ' CE2' ' P' ' 20' ' ' PHE . 18.3 mmt180 -62.33 -56.61 16.7 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.407 -0.815 . . . . 3.61 110.141 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -53.05 -44.86 67.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.139 1.375 . . . . 5.05 110.764 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -73.43 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.909 0.483 . . . . 2.21 110.258 171.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -55.14 -43.47 74.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.743 -0.598 . . . . 4.07 111.612 -168.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -47.31 -29.15 2.33 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.005 2.122 . . . . 2.77 113.568 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -45.38 -57.54 3.98 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.041 0.837 . . . . 5.64 111.932 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -65.01 -62.17 1.71 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 109.752 -0.462 . . . . 6.16 109.752 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -47.31 -46.82 25.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.692 0.997 . . . . 5.03 113.692 -174.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -65.64 -29.15 69.69 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.231 -0.89 . . . . 5.62 113.393 -169.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -99.78 -6.27 27.26 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.163 0.801 . . . . 13.92 113.163 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -68.72 98.31 0.89 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 105.173 -2.158 . . . . 11.15 105.173 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? 63.6 96.48 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.97 1.308 . . . . 13.8 107.6 -157.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.36 -80.7 1.39 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.363 -1.495 . . . . 13.87 109.363 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -130.84 68.27 81.6 Favored Pre-proline 0 C--O 1.236 0.35 0 C-N-CA 124.235 1.014 . . . . 18.34 111.535 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.03 -65.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.129 0 N-CA-C 107.792 -1.657 . . . . 20.36 107.792 161.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 108.405 -1.878 . . . . 21.24 108.405 176.55 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 112.828 6.285 . . . . 4.92 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 0 O4'-C1'-C2' 102.659 -3.128 . . . . 4.74 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 O4'-C1'-N19 110.931 3.914 . . . . 4.5 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . 0.423 ' P ' HH12 ' P' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.098 0 O3'-P-O5' 110.46 3.4 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 1 P-O3'-C3' 125.105 4.504 . . . . 2.94 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 O4'-C1'-N19 110.133 2.916 . . . . 2.43 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.398 2 O4'-C1'-N19 113.4 7.0 . . . . 1.69 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C4'-C3' 108.654 3.054 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.978 0 O4'-C1'-N19 110.828 3.785 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.076 0 P-O3'-C3' 123.224 2.936 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.515 4.644 . . . . 2.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 1 P-O3'-C3' 124.85 4.292 . . . . 2.96 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 N19-C1'-C2' 108.845 -3.347 . . . . 2.13 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 P-O3'-C3' 123.161 2.884 . . . . 3.67 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 1 O4'-C1'-N19 112.119 5.398 . . . . 4.73 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.162 0 P-O3'-C3' 122.602 2.419 . . . . 4.1 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.515 0 O5'-C5'-C4' 115.739 3.957 . . . . 5.06 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.118 0 C4'-C3'-C2' 100.214 -2.986 . . . . 3.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 O5'-C5'-C4' 116.229 4.306 . . . . 2.92 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 1 P-O3'-C3' 126.213 5.427 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 123.394 3.079 . . . . 1.6 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.822 0 C5'-C4'-O4' 113.456 2.535 . . . . 1.9 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 P-O3'-C3' 123.906 3.505 . . . . 1.89 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 1 O4'-C1'-N19 111.429 4.536 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-C2' 103.219 -2.619 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.249 1 O4'-C1'-N19 111.662 4.827 . . . . 2.46 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.054 2.795 . . . . 3.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.329 0 P-O3'-C3' 122.449 2.291 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 108.374 -0.973 . . . . 20.85 108.374 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 67.82 101.29 0.05 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.8 1.64 . . . . 20.09 114.284 167.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -161.61 90.4 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.343 -0.848 . . . . 13.88 109.422 163.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.6 169.23 1.37 Allowed 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 121.871 -0.518 . . . . 8.81 112.014 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.41 75.27 0.02 OUTLIER Glycine 0 CA--C 1.526 0.766 0 CA-C-N 118.721 0.691 . . . . 5.74 114.211 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.93 134.29 56.95 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.749 0.819 . . . . 5.29 110.261 170.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' P' ' 8' ' ' TYR . 4.3 pt20 -100.47 174.83 5.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.484 1.513 . . . . 3.92 110.55 175.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.9 m -90.94 109.07 20.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.459 -1.312 . . . . 4.48 107.459 163.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' P' ' 6' ' ' GLN . 66.2 m-85 -75.15 162.46 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.367 -0.975 . . . . 3.48 108.367 174.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -84.81 159.24 20.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.779 -1.193 . . . . 3.01 107.779 168.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -64.57 -51.19 64.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 107.661 -1.237 . . . . 6.53 107.661 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -37.68 -56.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.502 1.521 . . . . 3.85 113.148 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.74 -44.2 78.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.936 -0.706 . . . . 3.2 110.499 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -52.96 -42.94 65.97 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.111 0.564 . . . . 2.38 110.341 175.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.97 -48.82 51.96 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.085 0.954 . . . . 3.8 113.258 -173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -76.96 -30.06 55.86 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.606 0.639 . . . . 5.05 110.308 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -48.61 75.54 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.521 0.729 . . . . 2.22 110.032 172.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -53.93 -44.05 70.31 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.358 -0.839 . . . . 3.46 111.151 174.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -67.52 -32.5 73.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.266 0.626 . . . . 5.7 112.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.46 -41.24 93.61 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.264 -0.897 . . . . 3.27 109.036 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.63 -25.97 64.19 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.812 -0.555 . . . . 2.35 111.783 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -66.41 -53.91 30.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.469 -0.937 . . . . 4.56 108.469 172.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -57.98 -48.84 78.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.764 0.826 . . . . 4.62 111.351 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 164.14 28.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 124.405 1.082 . . . . 3.33 109.749 -158.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -116.03 -55.71 2.38 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.837 -0.54 . . . . 4.11 109.699 166.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -95.56 102.66 14.48 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.237 1.415 . . . . 4.16 109.673 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' P' ' 30' ' ' ARG . 6.3 mp -65.82 135.71 55.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.607 -1.257 . . . . 2.47 107.607 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -68.18 115.35 7.55 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.555 -1.646 . . . . 3.34 106.555 166.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 23.57 -98.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.956 2.102 . . . . 5.45 113.675 165.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -71.11 -18.52 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 118.758 -0.639 . . . . 7.75 111.544 -165.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' P' ' 26' ' ' LEU . 28.3 tpt180 -46.07 -42.28 13.3 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 119.802 1.183 . . . . 3.9 109.449 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.476 ' HG2' HD22 ' P' ' 26' ' ' LEU . 11.2 mtm-85 -61.16 -38.37 86.21 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.314 -0.866 . . . . 4.14 111.768 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -68.43 -45.86 81.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 124.235 1.014 . . . . 2.95 109.474 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.06 -48.82 80.13 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 122.101 -0.374 . . . . 3.5 110.154 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mm -50.38 -56.87 3.09 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 C-N-CA 125.459 1.504 . . . . 2.2 109.068 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.28 18.86 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.26 0.624 . . . . 2.07 111.313 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -57.62 -51.2 70.48 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.837 -0.431 . . . . 2.71 109.837 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.09 -53.84 30.41 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.95 0.9 . . . . 2.51 111.255 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.32 -20.55 62.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.494 0.718 . . . . 2.21 111.814 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 63.8 m 66.78 51.27 1.05 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.815 1.646 . . . . 2.41 110.39 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -115.11 -151.96 0.49 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.909 1.684 . . . . 2.17 106.722 167.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 72.6 p -127.72 161.68 28.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.045 -1.095 . . . . 2.18 108.045 168.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -36.62 71.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.169 0.803 . . . . 4.3 113.169 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ttm105 -37.72 -63.97 0.42 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.868 0.467 . . . . 3.98 111.181 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.54 -49.8 55.01 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 123.922 0.764 . . . . 2.88 110.966 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 31.3 mm -62.74 -45.84 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 108.908 -0.775 . . . . 1.29 108.908 -174.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -52.13 -56.19 16.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.568 -0.707 . . . . 3.05 109.337 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.3 mm -56.99 -47.16 83.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 O-C-N 123.238 0.336 . . . . 0.91 110.548 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -51.6 -58.94 4.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.709 0.766 . . . . 1.51 109.506 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -64.85 -51.29 62.84 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.022 -1.049 . . . . 1.75 111.183 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -41.19 -54.16 2.98 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 124.302 1.041 . . . . 3.8 110.399 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.0 -55.9 5.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.222 -1.029 . . . . 4.69 108.222 -172.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -53.18 -40.29 64.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.992 0.917 . . . . 2.7 111.763 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -57.66 -18.1 18.56 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.898 -1.126 . . . . 5.02 113.696 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 13.7 mmt -73.97 -70.86 0.36 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 107.502 -1.296 . . . . 2.99 107.502 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -49.04 -40.4 31.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.985 1.714 . . . . 5.0 113.937 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -30.82 -43.93 0.05 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 126.591 1.956 . . . . 3.6 112.675 170.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -74.67 72.54 1.98 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.116 -0.698 . . . . 6.11 109.116 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp 142.87 -55.14 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.478 1 C-N-CA 132.228 4.211 . . . . 7.22 107.822 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.28 -29.5 61.25 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.748 0.647 . . . . 4.65 112.748 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -70.23 -30.54 67.63 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 122.114 -0.366 . . . . 5.75 111.572 -175.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt 57.87 12.13 1.62 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.293 1.437 . . . . 10.19 113.967 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p -62.65 128.85 37.88 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.293 -1.373 . . . . 9.75 107.293 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? 46.23 33.08 1.67 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.74 1.216 . . . . 14.4 112.235 -170.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.7 -44.21 2.25 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.918 -1.114 . . . . 12.24 112.483 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 119.88 80.93 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.262 1 C-N-CA 132.797 4.439 . . . . 15.35 105.624 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -48.52 -65.56 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 124.395 3.397 . . . . 18.31 113.207 -169.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.545 0 N-CA-C 110.912 -0.875 . . . . 19.47 110.912 -174.083 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 2 O4'-C1'-N19 114.914 8.892 . . . . 3.96 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.724 1 O4'-C1'-N19 111.074 4.093 . . . . 4.36 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.65 0 P-O3'-C3' 124.052 3.626 . . . . 3.74 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 1 O5'-C5'-C4' 115.954 4.11 . . . . 4.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.22 2 O4'-C1'-N19 112.765 6.206 . . . . 3.03 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.18 0 O4'-C1'-C2' 102.078 -3.657 . . . . 2.11 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 1 O4'-C1'-N19 113.715 7.394 . . . . 2.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 P-O3'-C3' 123.584 3.237 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 111.302 4.378 . . . . 2.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 P-O3'-C3' 123.271 2.976 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.921 0 O4'-C1'-C2' 102.317 -3.439 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.965 1 O4'-C1'-N19 112.413 5.767 . . . . 3.5 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.011 0 N19-C1'-C2' 108.198 -3.751 . . . . 3.72 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.968 0 O4'-C1'-N19 110.69 3.612 . . . . 4.33 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 116.351 10.689 . . . . 6.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 2 O4'-C1'-N19 115.517 9.646 . . . . 7.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.714 6.143 . . . . 5.85 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.255 3 O4'-C1'-N19 116.172 10.465 . . . . 5.12 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.997 3.581 . . . . 3.57 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 1 C2'-C3'-O3' 121.628 4.084 . . . . 2.78 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 1 P-O3'-C3' 126.875 5.98 . . . . 2.06 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 O4'-C1'-N19 109.982 2.728 . . . . 2.75 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 O5'-C5'-C4' 115.42 3.728 . . . . 2.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 1 P-O3'-C3' 124.541 4.034 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.568 0 O4'-C1'-N19 110.613 3.516 . . . . 4.08 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 111.184 4.229 . . . . 2.53 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 0 P-O3'-C3' 122.899 2.666 . . . . 3.14 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 C4'-C3'-C2' 100.187 -3.013 . . . . 4.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 108.382 -0.97 . . . . 15.42 108.382 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.51 72.4 1.38 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.505 -0.554 . . . . 18.94 109.505 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 155.73 25.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.618 0.767 . . . . 13.56 110.752 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 mtt85 -77.26 156.28 31.53 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.966 1.307 . . . . 9.85 108.775 168.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.13 -112.97 3.47 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 107.665 -2.174 . . . . 6.89 107.665 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 28.1 ttp-105 104.15 136.64 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 130.909 3.684 . . . . 7.63 106.23 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -153.89 108.61 3.1 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.256 -1.016 . . . . 4.64 108.256 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.66 21.8 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.293 -1.003 . . . . 5.97 108.293 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -99.37 159.81 14.74 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.179 1.392 . . . . 4.72 110.734 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 10.8 p -78.35 127.32 32.04 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 117.396 -1.287 . . . . 4.43 108.501 165.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -44.23 -43.06 6.99 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.911 0.757 . . . . 9.15 111.146 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -38.75 -51.51 1.7 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.754 1.221 . . . . 6.17 111.48 176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.04 -58.02 10.33 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.634 -0.666 . . . . 4.44 109.287 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.3 m -52.33 -33.13 41.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.861 1.265 . . . . 4.37 111.788 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -59.95 3.83 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.972 0.909 . . . . 6.76 111.979 -168.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.52 -36.83 83.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.825 -0.75 . . . . 6.74 109.183 -173.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.3 mt -53.62 -44.93 69.89 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.77 1.228 . . . . 3.75 111.779 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.08 -48.35 61.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.43 1.014 . . . . 6.3 110.726 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.71 -40.84 97.75 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 110.074 -0.343 . . . . 8.49 110.074 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.28 -45.34 93.66 Favored 'General case' 0 C--O 1.224 -0.265 0 O-C-N 121.336 -0.853 . . . . 6.64 110.929 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.2 -48.48 81.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.563 0.619 . . . . 3.2 110.253 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.24 -43.02 74.18 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.795 -0.566 . . . . 6.84 109.66 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -65.05 -43.51 92.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.4 0.68 . . . . 6.28 112.456 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.77 151.74 20.52 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.906 0.883 . . . . 4.04 111.772 -161.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -116.93 -40.89 3.08 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.716 1.607 . . . . 3.64 109.617 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -91.37 101.34 14.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.491 0.716 . . . . 3.95 110.302 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.3 177.92 3.11 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 108.303 -0.999 . . . . 3.64 108.303 165.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 2.2 t -132.34 -177.88 4.67 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.184 -0.673 . . . . 5.24 109.184 159.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 -85.39 41.54 0.9 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.908 0.883 . . . . 5.68 112.522 -158.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -129.03 -53.46 1.21 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.13 -1.433 . . . . 11.9 107.13 153.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -50.88 -39.55 54.36 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.067 0.849 . . . . 6.94 110.76 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -44.44 -49.25 9.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.226 0.61 . . . . 4.05 111.538 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.09 -49.02 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.632 1.173 . . . . 5.13 109.496 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -55.23 -46.92 76.0 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-O 118.574 -0.727 . . . . 7.6 111.562 -174.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.22 -60.05 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 108.355 -0.98 . . . . 4.02 108.355 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.99 -56.83 5.0 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.343 1.057 . . . . 3.32 110.123 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.28 -41.35 98.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.142 -0.974 . . . . 4.84 112.456 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.6 -49.76 73.98 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.321 1.049 . . . . 4.75 110.053 -172.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 mt -91.35 -8.26 48.58 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.915 0.886 . . . . 4.11 111.444 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 66.13 37.07 5.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.659 1.984 . . . . 4.4 111.81 -174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.51 171.9 7.11 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.785 1.634 . . . . 2.7 108.778 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 37.3 p -101.1 152.44 20.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.156 0.982 . . . . 2.29 110.427 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -57.06 -39.32 74.69 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.35 -0.844 . . . . 4.98 111.812 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -43.07 -63.46 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 108.955 -0.757 . . . . 3.68 108.955 168.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -56.69 -45.94 81.46 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.076 -0.712 . . . . 2.22 109.076 -173.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.85 -37.84 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.791 0.723 . . . . 1.89 112.343 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -52.14 -61.93 1.96 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.559 -1.274 . . . . 4.19 107.559 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -54.07 -47.25 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 113.356 -1.747 . . . . 1.25 109.507 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -51.4 -54.3 27.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.97 0.908 . . . . 2.64 110.048 -168.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.06 -54.55 8.25 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 123.799 0.84 . . . . 2.27 109.033 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -47.63 -60.6 2.44 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 122.104 0.954 . . . . 5.86 109.839 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.39 -22.15 61.17 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.641 -0.662 . . . . 5.98 110.575 -167.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.56 -35.81 78.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.878 -1.139 . . . . 4.63 110.039 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -56.7 -29.9 62.9 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.774 -1.204 . . . . 3.92 111.145 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.0 mmt -89.63 -31.15 17.67 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.095 0.958 . . . . 2.56 110.282 -172.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -57.46 -49.22 76.97 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.863 -0.792 . . . . 4.44 108.863 165.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.14 -179.26 0.14 Allowed 'General case' 0 N--CA 1.427 -1.59 0 C-N-CA 126.523 1.929 . . . . 4.39 107.352 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttt 62.6 -67.08 0.08 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 128.482 2.713 . . . . 5.34 109.797 -163.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -60.32 -71.45 0.13 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.197 -1.408 . . . . 8.94 107.197 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -94.42 57.19 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.831 -1.544 . . . . 7.57 106.831 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -43.99 -50.84 8.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 124.557 1.143 . . . . 6.3 113.386 -172.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -77.25 81.17 3.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.745 -1.206 . . . . 10.79 107.745 168.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.42 114.78 1.33 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.15 -1.426 . . . . 12.29 107.15 166.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -79.88 -21.94 43.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.553 1.316 . . . . 18.81 114.553 -140.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.4 123.18 4.12 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.411 1.005 . . . . 17.42 111.93 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.46 106.24 38.26 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 125.425 1.49 . . . . 21.59 107.702 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.97 146.45 82.63 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.591 1.527 . . . . 23.39 111.449 -169.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.494 0 N-CA-C 107.602 -2.199 . . . . 27.48 107.602 178.137 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 1 C4'-C3'-C2' 98.607 -4.593 . . . . 5.63 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.336 1 O4'-C1'-N19 111.306 4.383 . . . . 5.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.42 0 O4'-C1'-N19 110.549 3.436 . . . . 5.09 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.939 1 O4'-C4'-C3' 109.805 4.205 . . . . 4.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 O4'-C1'-N19 111.665 4.832 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.452 0 O4'-C4'-C3' 108.249 2.649 . . . . 2.88 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . 0.464 ' H41' ' HG3' ' P' ' 50' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.377 2 O4'-C1'-N19 111.862 5.077 . . . . 1.57 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 1 O4'-C1'-N19 111.254 4.317 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.898 0 O4'-C1'-N19 110.756 3.695 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 P-O3'-C3' 124.407 3.922 . . . . 2.09 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 C4'-C3'-O3' 118.524 3.738 . . . . 1.91 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.156 1 P-O3'-C3' 126.585 5.737 . . . . 3.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.102 2 O4'-C4'-C3' 110.212 4.612 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 0 P-O3'-C3' 124.119 3.683 . . . . 2.98 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 114.24 8.05 . . . . 4.94 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.521 3.402 . . . . 4.55 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 0 C4'-C3'-C2' 99.309 -3.891 . . . . 3.46 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.478 1 P-O3'-C3' 124.869 4.308 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . 0.454 " H2'" HG21 ' P' ' 47' ' ' ILE . . . . . . . . 0 C5'--C4' 1.54 3.592 0 O4'-C1'-C2' 102.077 -3.658 . . . . 2.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 2 O4'-C1'-N19 111.62 4.775 . . . . 2.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 1 C4'-C3'-C2' 98.895 -4.305 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.762 0 N19-C1'-C2' 109.714 -2.804 . . . . 3.86 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 1 P-O3'-C3' 125.588 4.906 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 C4'-C3'-C2' 99.606 -3.594 . . . . 3.15 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.007 0 O4'-C1'-N19 110.966 3.957 . . . . 3.1 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.974 5.218 . . . . 3.74 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.42 0 O4'-C1'-N19 110.725 3.657 . . . . 3.88 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.441 0 P-O3'-C3' 123.731 3.359 . . . . 3.76 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 120.265 0.078 . . . . 28.46 110.816 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -133.74 80.35 1.87 Allowed 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.425 1.09 . . . . 22.61 108.102 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -81.14 -142.24 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.105 -1.442 . . . . 22.36 107.105 165.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -44.29 138.78 2.93 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.874 0.869 . . . . 13.69 110.172 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 53.42 0.41 Allowed Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.762 1.172 . . . . 8.69 110.673 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -36.9 78.86 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 122.695 1.236 . . . . 8.11 111.232 173.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -118.26 158.88 24.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.086 -2.19 . . . . 3.96 105.086 152.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.95 143.85 33.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.232 1.413 . . . . 4.93 107.766 175.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.03 126.53 55.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 106.608 -1.626 . . . . 3.86 106.608 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -92.37 154.84 18.3 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.079 0.952 . . . . 4.9 112.706 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -42.31 -55.4 3.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 127.518 2.327 . . . . 11.54 111.89 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -62.88 -52.74 61.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.369 0.604 . . . . 5.6 111.408 -174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -30.09 69.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.406 -0.361 . . . . 6.22 110.833 -176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -65.25 -43.81 90.14 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.616 -0.678 . . . . 3.74 110.34 171.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.21 -51.37 4.72 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.008 1.323 . . . . 6.19 113.523 -175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -45.97 -54.85 7.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 122.582 1.182 . . . . 7.1 109.669 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 mt -76.65 -31.08 57.11 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 113.559 -1.655 . . . . 3.23 110.348 -164.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.95 -48.75 67.12 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.561 -0.533 . . . . 5.16 109.561 168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -64.42 -52.67 56.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 119.021 -0.514 . . . . 6.07 111.185 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -48.78 -63.04 1.21 Allowed 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 109.19 -0.67 . . . . 4.42 109.19 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -58.5 -41.88 86.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.794 0.294 . . . . 2.13 111.794 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.53 -36.7 62.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.355 0.262 . . . . 3.83 110.838 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.62 -48.34 7.35 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.326 1.05 . . . . 5.19 112.167 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.83 145.95 12.62 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.592 1.557 . . . . 3.36 112.227 -161.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -107.24 -71.37 0.76 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.897 1.279 . . . . 3.86 111.93 -170.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -64.46 127.32 30.98 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.723 -0.611 . . . . 4.76 110.472 -168.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.71 164.31 11.92 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.917 0.865 . . . . 4.51 110.347 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -84.57 153.08 23.45 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.067 -1.086 . . . . 5.45 108.067 158.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -39.58 -64.58 0.46 Allowed 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.613 1.165 . . . . 5.85 111.138 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -65.14 -41.08 95.11 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-O 118.257 -0.878 . . . . 9.02 110.342 -167.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -51.57 -51.54 54.6 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.995 1.27 . . . . 7.82 109.938 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -26.84 68.74 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.98 -0.45 . . . . 5.51 111.421 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.08 -52.61 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.046 -1.033 . . . . 4.37 110.293 167.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -50.65 -49.36 57.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.922 0.889 . . . . 6.14 110.356 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.58 -53.69 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 122.16 0.981 . . . . 3.85 108.851 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.01 70.84 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.669 -0.696 . . . . 3.21 112.364 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -67.06 -52.22 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.606 -0.438 . . . . 4.13 110.467 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.97 22.7 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.526 1.13 . . . . 4.35 110.798 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 54.2 mt -80.39 -11.76 59.66 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.385 0.674 . . . . 4.35 111.938 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 21.2 m 56.68 58.27 4.23 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.487 1.115 . . . . 4.11 109.496 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -133.35 169.15 17.35 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.144 1.778 . . . . 2.69 106.785 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 78.7 p -66.38 157.81 30.89 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.23 -0.655 . . . . 1.91 109.23 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -54.23 -44.97 72.16 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.232 -0.655 . . . . 4.09 109.232 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -55.82 -56.56 19.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 119.363 -0.351 . . . . 3.13 111.187 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -51.17 -40.42 58.57 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.291 0.496 . . . . 2.32 110.951 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.05 -56.06 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 O-C-N 121.772 -0.58 . . . . 2.09 110.931 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -45.95 -54.64 7.95 Favored 'General case' 0 C--N 1.342 0.239 0 N-CA-C 109.214 -0.661 . . . . 3.15 109.214 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . 0.454 HG21 " H2'" ' B' ' 19' ' ' ' DA' . 15.8 mm -62.37 -41.46 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 120.584 -0.446 . . . . 1.02 110.423 -174.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -52.12 -48.08 65.0 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.942 -0.473 . . . . 2.0 110.291 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -66.28 -60.63 2.6 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.722 -0.611 . . . . 2.46 110.944 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . 0.464 ' HG3' ' H41' ' A' ' 7' ' ' ' DC' . 1.0 OUTLIER -36.13 -56.89 0.73 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.686 1.995 . . . . 5.35 110.935 174.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -48.45 72.13 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.03 -0.419 . . . . 4.53 110.213 -172.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -38.58 81.98 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.798 -0.445 . . . . 3.43 109.798 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -61.32 -57.9 10.44 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.058 0.943 . . . . 4.75 111.301 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mmt -51.8 -50.54 60.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.5 0.591 . . . . 2.21 109.491 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -47.72 -56.65 6.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.891 0.853 . . . . 4.13 111.248 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.04 101.91 1.51 Allowed 'General case' 0 N--CA 1.44 -0.964 0 CA-C-O 123.394 1.569 . . . . 3.41 109.137 -175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -157.66 -79.46 0.07 Allowed 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 129.24 3.016 . . . . 4.91 108.159 164.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -57.28 -40.83 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.735 0.779 . . . . 6.12 109.213 176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.57 44.76 1.23 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.467 1.107 . . . . 4.47 112.456 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.94 69.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 106.859 -1.534 . . . . 5.4 106.859 148.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -32.45 -81.42 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.739 2.016 . . . . 10.24 113.503 -169.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 40.75 51.37 3.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.382 0.673 . . . . 10.97 109.522 -154.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -162.31 47.82 0.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.378 1.871 . . . . 14.51 108.651 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.92 -68.52 1.33 Allowed Glycine 0 CA--C 1.521 0.436 0 N-CA-C 108.545 -1.822 . . . . 14.89 108.545 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -72.73 149.71 90.57 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 118.366 -0.826 . . . . 17.74 109.603 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -44.84 140.3 6.94 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.84 3.027 . . . . 20.86 112.288 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 106.704 -2.558 . . . . 21.48 106.704 -173.12 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.89 1 O4'-C1'-N19 112.937 6.421 . . . . 4.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C1'-N19 112.26 5.575 . . . . 5.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.523 0 O4'-C1'-N19 109.702 2.377 . . . . 6.15 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.916 1 O4'-C4'-C3' 109.782 4.182 . . . . 5.12 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 OP1-P-OP2 115.516 -2.723 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 112.611 6.014 . . . . 2.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 0 O5'-C5'-C4' 115.57 3.836 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 P-O3'-C3' 123.73 3.358 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 2 O4'-C1'-N19 112.214 5.518 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.277 1 O4'-C1'-N19 111.488 4.61 . . . . 1.91 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.365 1 O4'-C1'-N19 115.899 10.124 . . . . 3.48 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.713 1 O4'-C1'-N19 112.759 6.199 . . . . 2.34 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.625 1 N19-C1'-C2' 107.465 -4.209 . . . . 3.3 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.998 3.998 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 113.695 7.369 . . . . 6.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.891 1 O4'-C1'-N19 113.738 7.422 . . . . 4.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.964 0 O4'-C1'-N19 110.661 3.576 . . . . 3.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.174 0 C1'-O4'-C4' 104.829 -3.479 . . . . 2.74 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.205 0 O4'-C1'-C2' 101.734 -3.969 . . . . 2.19 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 2 O4'-C1'-C2' 101.449 -4.229 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 2 C4'-C3'-C2' 98.62 -4.58 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 O4'-C4'-C3' 108.837 3.237 . . . . 2.62 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.422 0 P-O3'-C3' 123.781 3.401 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 O4'-C1'-N19 110.326 3.158 . . . . 2.09 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 2 O4'-C1'-N19 112.79 6.237 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 1 O4'-C1'-N19 112.614 6.018 . . . . 2.98 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-C2' 102.884 -2.924 . . . . 3.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.888 0 P-O3'-C3' 123.738 3.365 . . . . 4.79 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 108.954 -0.758 . . . . 17.67 108.954 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -68.94 142.53 54.69 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.409 -0.589 . . . . 14.88 109.409 172.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 170.45 21.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.252 0.621 . . . . 12.23 111.116 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -157.91 173.75 16.3 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 127.575 2.35 . . . . 7.1 106.006 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.21 -164.15 43.8 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.726 -0.95 . . . . 4.59 110.726 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 mtp-105 -56.22 104.14 0.13 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.003 -1.11 . . . . 6.72 108.003 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -68.14 162.64 24.34 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 105.961 -1.866 . . . . 3.81 105.961 163.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -117.02 126.49 52.96 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 107.669 -1.234 . . . . 5.07 107.669 154.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -76.6 134.66 39.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.591 -2.374 . . . . 3.23 104.591 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 59.6 p -67.28 159.17 29.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.028 -0.73 . . . . 3.88 109.028 -171.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -47.83 69.02 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 118.763 0.71 . . . . 9.01 110.148 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -48.16 -49.89 30.81 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.666 0.786 . . . . 3.71 111.65 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.73 -52.51 56.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.694 0.398 . . . . 3.19 110.144 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -56.39 -51.77 67.11 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.972 -0.381 . . . . 2.22 109.972 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 24.3 mt -45.37 -46.72 13.32 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.964 2.106 . . . . 3.22 112.369 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.65 -62.97 1.31 Allowed 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.02 -1.104 . . . . 4.89 108.02 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.92 -26.66 63.3 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.124 -1.853 . . . . 2.01 112.062 -161.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -51.08 -32.37 21.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.316 0.507 . . . . 3.59 110.794 167.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -82.05 -51.75 7.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.454 -0.573 . . . . 5.02 109.454 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -51.45 -51.28 56.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.665 0.786 . . . . 3.14 110.389 -173.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -58.3 -45.63 87.63 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.913 0.485 . . . . 2.09 111.468 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -62.91 -21.98 66.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 119.297 -0.382 . . . . 5.87 111.364 176.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.93 -44.94 10.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.898 1.279 . . . . 4.05 111.91 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 146.01 6.87 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.27 1.428 . . . . 2.92 109.116 -169.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -127.2 -58.63 1.27 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.838 -0.539 . . . . 5.33 110.036 -159.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -72.18 134.35 45.64 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.872 -1.899 . . . . 3.94 105.872 165.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.08 155.19 25.33 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.344 -0.984 . . . . 3.57 108.344 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.39 139.17 54.09 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 105.562 -2.014 . . . . 5.05 105.562 158.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -43.35 -58.93 2.32 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.322 0.965 . . . . 6.32 112.79 -169.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 -58.6 -23.72 59.35 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.276 -0.89 . . . . 5.84 113.111 -176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.17 -31.71 73.03 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.631 -1.918 . . . . 4.51 109.894 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -58.07 -49.89 75.35 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.226 -1.398 . . . . 4.64 107.226 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -56.65 -44.48 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.859 1.264 . . . . 3.11 110.916 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.29 -36.2 68.89 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.661 -1.275 . . . . 4.38 113.972 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.68 -53.11 49.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 108.694 -0.854 . . . . 2.56 108.694 167.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.02 -48.83 52.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.41 1.084 . . . . 1.93 110.535 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.81 -55.32 35.77 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.922 0.489 . . . . 2.65 110.302 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.55 -55.23 20.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.223 0.535 . . . . 2.66 110.946 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 mt -77.27 -13.48 59.93 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.132 0.79 . . . . 2.56 113.132 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.44 36.51 8.81 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.643 1.177 . . . . 2.3 110.481 -173.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 77.1 mt -103.46 171.52 7.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.3 -1.37 . . . . 1.92 107.3 172.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -85.67 160.74 19.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.529 -0.545 . . . . 1.9 109.529 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.42 -48.91 77.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.932 -0.766 . . . . 3.69 108.932 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 ttm105 -44.38 -60.84 1.75 Allowed 'General case' 0 C--N 1.338 0.084 0 C-N-CA 124.415 1.086 . . . . 4.12 109.236 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -54.46 -40.25 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 119.658 -0.211 . . . . 2.43 111.33 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 29.7 mm -72.72 -19.78 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 O-C-N 119.981 -1.699 . . . . 1.53 112.81 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -64.58 -63.12 1.21 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.231 -1.543 . . . . 2.49 106.976 163.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 mm -55.72 -45.26 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 114.636 -1.165 . . . . 0.92 111.011 -167.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -51.59 -43.35 62.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.293 -0.879 . . . . 1.62 110.799 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -75.84 -54.1 7.44 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.311 1.045 . . . . 1.94 111.364 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -48.04 -59.48 3.34 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.233 -1.025 . . . . 4.77 108.233 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.37 0.25 1.56 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 125.358 1.463 . . . . 3.51 112.767 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -97.1 -64.76 1.01 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 119.617 1.098 . . . . 3.16 108.374 163.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -54.09 -39.17 66.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.637 1.562 . . . . 5.58 112.128 -170.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -60.95 1.99 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.617 -0.883 . . . . 2.44 108.617 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -45.27 -38.37 5.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.727 2.411 . . . . 5.45 112.793 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -64.07 -140.67 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 128.299 2.64 . . . . 3.71 107.497 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 67.51 -67.26 0.18 Allowed 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 126.336 1.854 . . . . 5.06 107.613 -161.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -37.99 -57.75 1.01 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.645 1.978 . . . . 7.67 110.65 169.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -62.51 -70.67 0.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.788 0.835 . . . . 5.45 112.769 -171.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 30.46 78.75 0.03 OUTLIER 'General case' 0 C--N 1.341 0.198 0 C-N-CA 126.034 1.733 . . . . 4.78 112.555 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -72.82 108.72 5.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.196 -1.779 . . . . 11.86 106.196 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p 59.15 82.92 0.14 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 128.549 2.739 . . . . 11.15 110.144 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -45.48 142.77 2.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.212 1.405 . . . . 14.28 111.4 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.6 85.63 1.87 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.553 -1.419 . . . . 15.63 109.553 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -144.42 148.93 42.51 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 117.876 -1.059 . . . . 18.33 108.825 164.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -43.9 133.11 8.24 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 124.895 3.73 . . . . 22.0 113.323 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 107.869 -2.093 . . . . 22.49 107.869 -178.085 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.703 3.628 . . . . 4.78 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.844 0 O4'-C1'-N19 110.129 2.911 . . . . 6.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.187 1 O4'-C1'-N19 111.368 4.46 . . . . 4.18 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 1 O4'-C1'-N19 112.414 5.767 . . . . 3.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.812 0 O4'-C1'-N19 110.691 3.614 . . . . 2.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.389 0 O4'-C4'-C3' 109.219 3.619 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-N19 113.524 7.155 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C4'-C3' 109.06 3.46 . . . . 1.89 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 0 O4'-C1'-N19 110.187 2.984 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.885 0 P-O3'-C3' 123.161 2.885 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.549 1 O4'-C1'-N19 111.814 5.018 . . . . 3.65 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 2 P-O3'-C3' 125.663 4.969 . . . . 3.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.196 2.995 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.982 1 O4'-C1'-N19 111.204 4.255 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 112.366 5.708 . . . . 4.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.476 1 O4'-C1'-N19 111.761 4.951 . . . . 4.58 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 1 P-O3'-C3' 124.779 4.232 . . . . 4.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.241 0 P-O3'-C3' 123.126 2.855 . . . . 2.76 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C1'-C2' 102.043 -3.689 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 112.043 5.303 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 C4'-C3'-C2' 99.231 -3.969 . . . . 1.59 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.867 1 N19-C1'-C2' 107.679 -4.076 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 1 P-O3'-C3' 124.828 4.274 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 O4'-C1'-C2' 101.738 -3.965 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 111.118 4.148 . . . . 2.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 O4'-C1'-N19 110.896 3.87 . . . . 2.87 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.785 0 O4'-C1'-C2' 101.892 -3.825 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.428 0 P-O3'-C3' 124.048 3.623 . . . . 3.95 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 108.093 -1.077 . . . . 19.59 108.093 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -148.52 116.29 6.32 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.72 1.608 . . . . 19.54 107.788 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -147.21 177.8 8.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.381 1.072 . . . . 13.67 111.318 -175.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -137.45 150.14 47.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.707 2.003 . . . . 8.01 106.578 147.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.68 143.53 4.03 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.9 0.762 . . . . 5.39 112.943 165.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -60.62 -177.92 0.08 Allowed 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.597 1.559 . . . . 6.03 112.61 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.75 150.87 42.34 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.34 1.456 . . . . 3.83 107.628 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -95.3 88.66 5.21 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.405 1.082 . . . . 5.1 109.678 170.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -80.0 92.26 5.56 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.225 -1.398 . . . . 2.76 107.225 171.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.36 153.7 40.46 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 125.534 1.534 . . . . 2.8 110.706 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -46.09 -52.64 11.69 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.439 0.696 . . . . 6.77 111.861 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -43.96 -47.9 8.58 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.563 0.745 . . . . 3.31 112.108 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -72.68 -51.75 18.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.626 -0.879 . . . . 3.08 108.626 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 5.1 m -52.78 -34.22 52.29 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.581 -0.736 . . . . 2.1 111.201 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.63 -61.64 2.46 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.064 0.946 . . . . 3.17 110.865 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -66.5 -28.51 68.62 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 119.471 -0.891 . . . . 3.47 110.677 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.48 -48.24 64.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.595 1.158 . . . . 1.84 111.457 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.74 -19.55 65.94 Favored 'General case' 0 C--O 1.237 0.422 0 O-C-N 120.75 -1.219 . . . . 3.47 112.011 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -73.68 -59.33 2.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.12 1.368 . . . . 5.32 110.565 167.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -45.6 -56.82 4.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.292 1.037 . . . . 2.88 110.272 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -43.16 -50.24 6.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.935 1.694 . . . . 2.08 111.614 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -56.72 -40.89 76.48 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.068 0.547 . . . . 4.06 109.924 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -69.21 -59.3 3.11 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.414 -0.804 . . . . 4.24 110.583 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.77 148.85 37.86 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.484 1.114 . . . . 2.93 111.774 -166.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -48.57 6.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.766 1.226 . . . . 3.96 109.108 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -83.73 133.04 34.81 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.333 -1.358 . . . . 3.42 107.333 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 127.92 48.77 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 105.413 -2.069 . . . . 3.3 105.413 165.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -78.6 165.72 23.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 119.055 0.843 . . . . 3.21 111.297 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 ttm-85 -56.95 119.32 6.07 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.09 -1.818 . . . . 4.44 106.09 163.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 85.62 29.07 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 130.743 3.617 . . . . 5.89 111.677 -175.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -135.98 -47.66 0.66 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.779 1.232 . . . . 3.81 107.831 155.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -50.72 -56.37 12.32 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.696 1.198 . . . . 4.55 109.789 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.72 -49.4 35.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 123.63 0.772 . . . . 2.47 109.383 173.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -61.95 -45.25 94.5 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.791 -0.623 . . . . 4.24 110.889 -166.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' P' ' 37' ' ' ALA . 6.7 mt -70.73 -40.16 76.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 124.096 0.872 . . . . 3.08 110.868 174.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.82 23.89 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 110.057 -0.349 . . . . 1.63 110.057 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.92 -52.08 65.52 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.77 -0.581 . . . . 2.34 111.162 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' P' ' 34' ' ' ILE . . . -48.14 -54.3 13.79 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.841 0.856 . . . . 2.26 111.707 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 90.2 mt -88.39 -4.05 58.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.139 1.376 . . . . 2.24 112.362 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 70.61 59.93 0.21 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.664 1.186 . . . . 2.34 111.073 171.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 31.5 mt -136.18 -179.21 5.53 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.754 2.022 . . . . 2.1 107.415 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -94.06 161.93 14.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.527 0.731 . . . . 2.28 109.852 170.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -46.18 -52.2 12.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.848 0.859 . . . . 3.78 111.189 173.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -49.56 -49.1 47.73 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 109.997 -0.371 . . . . 3.53 109.997 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.17 -41.4 97.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.78 -0.575 . . . . 2.64 110.728 -171.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.3 -54.23 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 O-C-N 121.453 -0.779 . . . . 1.16 109.255 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -46.61 -57.56 4.66 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.467 -0.771 . . . . 3.47 110.304 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 mm -49.23 -59.33 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.91 110.631 175.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -49.02 -49.82 39.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 118.746 0.703 . . . . 1.32 110.089 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -65.74 -48.26 72.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.63 -0.669 . . . . 1.63 110.319 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.72 -55.53 33.71 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.802 -0.561 . . . . 5.04 109.796 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.8 -53.55 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.522 1.129 . . . . 3.48 110.05 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -39.67 66.99 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.316 0.579 . . . . 2.8 110.107 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -63.35 -47.77 80.74 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.119 -1.613 . . . . 3.55 112.355 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 16.5 mmt -56.21 -45.53 79.83 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.609 -0.682 . . . . 1.97 109.849 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.73 -58.82 5.85 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.456 1.102 . . . . 6.05 111.409 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -43.34 -27.52 0.26 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 126.926 2.09 . . . . 2.85 114.079 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -48.03 -54.16 13.91 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.625 0.648 . . . . 6.01 110.264 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.01 -43.94 82.32 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.118 0.961 . . . . 6.69 111.204 -175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.88 -29.09 70.31 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.93 0.892 . . . . 5.29 111.176 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -98.36 23.76 8.05 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.311 1.044 . . . . 6.55 110.34 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt 47.52 -80.05 0.0 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 129.051 2.94 . . . . 11.48 111.766 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 5.6 t 35.83 -129.84 0.1 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.18 2.192 . . . . 13.4 110.475 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -133.43 171.4 14.12 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.654 1.582 . . . . 21.32 108.663 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.72 58.05 0.07 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 107.721 -2.152 . . . . 19.41 107.721 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -88.3 127.43 57.08 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 108.679 -0.86 . . . . 23.58 108.679 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -64.28 -166.82 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.183 2.588 . . . . 26.72 113.359 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.777 0 N-CA-C 106.686 -2.566 . . . . 29.53 106.686 166.01 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 113.576 7.22 . . . . 5.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 O4'-C4'-C3' 108.723 3.123 . . . . 5.92 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.638 1 O4'-C1'-N19 112.071 5.338 . . . . 6.43 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 112.341 5.676 . . . . 5.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 C4'-C3'-C2' 99.108 -4.092 . . . . 2.66 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C4'-C3' 108.637 3.037 . . . . 4.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 1 O4'-C1'-N19 111.698 4.873 . . . . 2.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.179 4.224 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.151 1 O4'-C1'-N19 111.609 4.761 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C4'-C3' 108.756 3.156 . . . . 1.49 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.662 0 O4'-C1'-N19 110.566 3.457 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 0 N19-C1'-C2' 108.523 -3.548 . . . . 3.07 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 1 N19-C1'-C2' 106.822 -4.611 . . . . 2.61 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.337 0 P-O3'-C3' 124.115 3.679 . . . . 3.89 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.009 1 O4'-C1'-N19 113.401 7.002 . . . . 5.62 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 112.275 5.593 . . . . 4.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 P-O3'-C3' 123.753 3.377 . . . . 3.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 P-O3'-C3' 122.838 2.615 . . . . 3.12 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 P-O3'-C3' 124.048 3.623 . . . . 2.4 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 3 O4'-C1'-N19 112.824 6.28 . . . . 3.09 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 1 O4'-C1'-N19 114.184 7.979 . . . . 2.86 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 0 N19-C1'-C2' 108.19 -3.756 . . . . 2.2 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 P-O3'-C3' 123.72 3.35 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.985 0 O4'-C1'-N19 109.782 2.478 . . . . 2.34 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C4'-C3' 108.407 2.807 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-C2' 103.235 -2.605 . . . . 3.78 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.072 0 O4'-C1'-N19 110.854 3.817 . . . . 4.74 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 0 P-O3'-C3' 123.914 3.511 . . . . 5.74 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 107.165 -1.42 . . . . 21.36 107.165 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -56.63 134.33 54.45 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 108.437 -0.949 . . . . 18.46 108.437 172.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -104.09 149.89 24.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.431 0.692 . . . . 13.42 110.456 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -85.75 166.32 16.19 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.804 1.642 . . . . 8.5 108.41 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.05 114.75 0.79 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.616 1.579 . . . . 5.59 110.237 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -74.91 137.04 41.43 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.219 -0.66 . . . . 4.96 109.219 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.86 -179.46 7.29 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 125.065 1.346 . . . . 4.21 107.816 157.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -142.95 142.2 31.62 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 106.595 -1.631 . . . . 5.17 106.595 143.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -77.36 125.9 30.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.065 -1.087 . . . . 3.23 108.065 -175.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 2.7 p -61.82 142.18 57.48 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.459 -1.682 . . . . 4.03 106.459 153.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -46.44 -42.21 14.97 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.809 0.731 . . . . 6.3 111.351 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -39.09 -47.75 1.59 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.394 1.478 . . . . 4.94 113.1 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.11 -49.79 68.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.288 0.495 . . . . 4.08 109.67 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -53.54 -48.14 69.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.496 0.719 . . . . 2.73 110.811 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 mt -44.27 -59.64 2.28 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.742 1.015 . . . . 3.64 113.742 -166.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.48 -25.64 64.17 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.079 -1.013 . . . . 4.83 112.144 -173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.88 -35.16 72.24 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.542 0.737 . . . . 1.95 109.536 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -54.29 -41.41 68.86 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.262 -0.899 . . . . 3.13 110.549 167.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.37 -38.04 68.61 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.9 0.48 . . . . 4.49 110.911 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.43 -49.2 70.54 Favored 'General case' 0 C--O 1.226 -0.154 0 O-C-N 121.233 -0.917 . . . . 3.27 110.119 166.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.01 -44.81 94.33 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.58 -0.526 . . . . 2.4 109.58 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -51.49 -58.66 5.66 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.744 -0.836 . . . . 5.06 108.744 171.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -66.73 -76.77 0.08 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 111.961 0.356 . . . . 4.61 111.961 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.11 93.91 4.68 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.555 1.942 . . . . 3.75 108.884 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -48.88 -44.08 39.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.169 -0.444 . . . . 5.06 111.792 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -105.05 131.2 52.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.759 1.224 . . . . 4.25 108.23 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.38 133.56 39.19 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.581 -0.699 . . . . 2.82 110.269 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -59.27 144.67 45.58 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 107.488 -1.301 . . . . 3.34 107.488 158.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -57.41 -38.51 74.43 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 120.7 -1.25 . . . . 4.55 109.596 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -67.15 64.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.8 1.64 . . . . 6.2 109.712 164.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 178.39 -46.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 129.32 3.048 . . . . 3.88 105.027 171.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -51.62 -54.46 27.54 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.434 -0.58 . . . . 3.94 109.434 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.48 -47.12 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 124.282 1.033 . . . . 2.48 110.085 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.29 -45.05 67.09 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.543 -0.91 . . . . 3.6 108.543 -165.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mt -66.51 -43.24 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 123.556 0.743 . . . . 2.75 111.104 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.91 -47.74 31.98 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.483 -0.562 . . . . 1.99 109.483 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -62.98 -49.26 75.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.035 -0.507 . . . . 2.74 111.958 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 -67.66 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.751 1.22 . . . . 2.77 110.412 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.22 -20.46 65.69 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.937 0.895 . . . . 3.07 111.338 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m 63.9 53.16 1.96 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.889 1.276 . . . . 2.52 109.939 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.6 176.28 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.478 2.311 . . . . 2.14 107.505 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.8 p -77.76 158.62 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.297 0.57 . . . . 2.23 110.766 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -53.89 -47.17 71.39 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.058 -1.09 . . . . 4.19 108.058 167.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -38.06 -59.95 0.8 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 124.554 1.142 . . . . 3.6 110.945 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -50.96 -41.76 59.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 122.123 -0.361 . . . . 4.7 111.511 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.54 -2.07 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 121.304 -0.872 . . . . 2.55 111.729 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -77.15 -62.9 1.5 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 119.197 -2.19 . . . . 4.43 108.308 152.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 mm -52.2 -54.63 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 126.242 1.817 . . . . 0.94 113.461 -168.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -55.85 -52.41 64.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.301 0.572 . . . . 1.58 110.524 -170.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -62.25 -55.96 23.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 123.09 0.556 . . . . 1.6 110.221 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -41.06 -66.17 0.36 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.688 1.595 . . . . 3.93 109.701 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -61.26 -51.32 69.4 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.716 0.806 . . . . 4.81 110.668 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -51.7 -31.18 25.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.082 0.953 . . . . 3.04 111.953 -166.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 24.2 mtt-85 -51.19 -37.16 45.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.699 0.681 . . . . 4.74 112.717 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mmt -54.68 -33.48 60.88 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.663 -0.648 . . . . 3.7 111.795 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -103.25 -45.15 4.98 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 122.402 1.096 . . . . 3.79 110.953 -169.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.33 96.19 0.15 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 104.824 -2.287 . . . . 6.34 104.824 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -175.02 -43.67 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 128.862 2.865 . . . . 9.23 106.914 163.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -85.22 -63.68 1.29 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.535 -0.913 . . . . 7.26 108.535 171.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.66 -10.46 59.8 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 114.343 1.238 . . . . 7.56 114.343 -165.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -79.27 41.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.523 -1.36 . . . . 8.37 111.339 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -165.03 72.48 0.19 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 130.823 3.649 . . . . 11.5 103.638 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 6.4 t -80.21 22.17 0.55 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.957 1.095 . . . . 15.66 113.957 -159.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -60.21 104.08 0.29 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.357 0.98 . . . . 22.23 111.119 -170.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.82 177.57 36.73 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 108.552 -1.819 . . . . 20.47 108.552 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -107.03 177.18 1.38 Allowed Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.251 1.42 . . . . 24.01 109.998 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -49.04 156.1 2.4 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.438 2.759 . . . . 28.19 113.863 168.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 106.339 -2.704 . . . . 27.78 106.339 -179.031 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.061 1 O4'-C1'-N19 111.561 4.701 . . . . 5.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.902 0 P-O3'-C3' 123.651 3.292 . . . . 5.09 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.419 1 O4'-C1'-N19 111.5 4.625 . . . . 4.19 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 0 C3'-C2'-C1' 107.57 3.479 . . . . 4.2 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 1 P-O3'-C3' 124.682 4.152 . . . . 2.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.691 0 O4'-C1'-N19 110.547 3.433 . . . . 2.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.692 3.615 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.855 0 O4'-C1'-C2' 101.859 -3.856 . . . . 2.16 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 112.197 5.497 . . . . 2.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 O4'-C1'-N19 109.952 2.69 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.593 3.491 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 0 N19-C1'-C2' 108.952 -3.28 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.53 1 N19-C1'-C2' 107.604 -4.122 . . . . 2.49 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 1 P-O3'-C3' 125.124 4.52 . . . . 4.78 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.835 2 O4'-C1'-N19 112.152 5.44 . . . . 5.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 1 O4'-C1'-N19 114.775 8.719 . . . . 6.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 1 O4'-C4'-C3' 109.917 4.317 . . . . 4.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.217 0 P-O3'-C3' 124.133 3.694 . . . . 4.53 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 O4'-C4'-C3' 108.214 2.614 . . . . 3.72 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 2 O4'-C1'-N19 112.784 6.23 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 1 P-O3'-C3' 124.796 4.246 . . . . 2.6 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.929 3.912 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.863 0 P-O3'-C3' 123.325 3.021 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.952 0 O4'-C1'-N19 110.349 3.187 . . . . 3.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 P-O3'-C3' 122.477 2.314 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 112.291 5.614 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.803 0 O4'-C1'-N19 110.578 3.473 . . . . 4.85 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.905 0 P-O3'-C3' 124.384 3.904 . . . . 5.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 119.731 -0.176 . . . . 24.17 110.693 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.12 156.52 38.55 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.316 -0.865 . . . . 21.86 111.76 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -79.9 48.25 0.94 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.565 1.546 . . . . 14.56 110.683 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -127.65 149.19 50.31 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.852 1.661 . . . . 12.81 107.415 -170.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.45 86.11 0.15 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.792 -0.923 . . . . 6.33 110.792 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -158.06 152.32 24.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.208 -1.404 . . . . 5.64 107.208 161.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -105.59 164.87 11.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.65 1.18 . . . . 3.97 108.247 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 28.5 m -144.82 106.49 4.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.231 0.612 . . . . 4.06 109.671 168.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -63.76 142.16 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.694 -0.23 . . . . 3.34 110.596 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -74.82 -90.42 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.352 -0.61 . . . . 5.58 109.352 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -168.35 -49.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.324 1.45 . . . . 7.67 107.618 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -38.23 -48.1 1.25 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.002 1.321 . . . . 4.84 111.813 168.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -57.18 -66.43 0.46 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.498 0.719 . . . . 4.33 109.817 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -39.57 10.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.728 1.211 . . . . 3.03 111.928 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.97 -54.15 46.59 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.212 0.605 . . . . 4.67 112.467 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.72 -32.52 57.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 119.756 -0.777 . . . . 5.22 110.203 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.93 -52.04 46.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.75 1.22 . . . . 2.91 110.402 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.41 -52.91 33.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.274 0.63 . . . . 4.19 110.448 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -52.24 -52.97 49.36 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.624 0.37 . . . . 5.42 111.476 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.33 -41.58 93.86 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.381 -0.825 . . . . 4.69 110.507 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.09 -44.15 87.44 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.913 0.338 . . . . 2.26 111.913 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.23 -42.99 87.52 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.808 -0.558 . . . . 5.14 110.484 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -74.47 -75.7 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.882 0.372 . . . . 4.04 111.107 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -82.24 74.31 9.23 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.102 0.961 . . . . 3.42 110.051 -177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -52.7 -51.1 61.78 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.73 -0.606 . . . . 4.24 110.282 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -85.33 127.8 34.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.66 -1.608 . . . . 3.94 106.66 159.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 23.4 tp -105.33 108.18 19.56 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 106.374 -1.713 . . . . 3.09 106.374 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.1 m -62.52 145.01 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.359 -0.978 . . . . 3.1 108.359 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -48.77 -51.51 28.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.281 1.032 . . . . 5.9 112.855 -167.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -59.53 -48.07 83.09 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 109.154 -0.684 . . . . 8.4 109.154 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -54.54 -40.9 69.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.005 0.366 . . . . 3.9 110.367 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm105 -57.39 -47.31 82.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 121.009 -1.057 . . . . 3.45 111.362 174.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -54.95 -45.11 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 109.747 -0.464 . . . . 3.25 109.747 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -57.12 -54.93 41.19 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.5 -0.75 . . . . 5.27 111.507 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 mm -54.59 -57.81 5.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 125.11 1.364 . . . . 2.72 109.19 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.86 -56.26 7.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.719 -1.128 . . . . 2.98 109.112 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.7 -40.77 96.22 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.261 -0.274 . . . . 3.25 110.519 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.42 72.83 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.187 0.595 . . . . 3.33 111.045 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 62.6 mt -83.85 -3.43 57.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.556 0.343 . . . . 3.14 111.158 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m 62.53 51.29 3.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.016 1.326 . . . . 3.46 110.872 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.3 mt -124.61 -175.84 3.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 128.182 2.593 . . . . 2.49 107.995 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.5 p -102.94 153.47 20.18 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.786 0.803 . . . . 2.89 111.681 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.86 -48.22 67.24 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.371 -0.974 . . . . 4.6 108.371 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -56.97 -57.18 13.65 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.697 -0.229 . . . . 3.67 110.776 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -53.11 -46.04 68.55 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.336 -0.853 . . . . 2.87 111.042 -173.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 110.194 -0.298 . . . . 2.4 110.194 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -48.99 -56.11 9.92 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 108.746 -0.835 . . . . 2.51 108.746 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 22.2 mm -59.97 -40.16 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.066 0.546 . . . . 0.87 111.571 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 47.1 t90 -64.5 -49.67 70.42 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.927 -1.108 . . . . 2.09 109.107 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -58.41 -50.7 72.75 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.068 -0.716 . . . . 1.71 109.068 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.02 -58.24 6.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.073 1.349 . . . . 3.72 108.136 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.18 -63.87 0.98 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.419 -0.585 . . . . 4.18 109.419 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -56.84 -38.51 72.77 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.979 -0.451 . . . . 4.14 110.554 -173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -54.9 -44.47 74.19 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 120.711 -1.243 . . . . 3.97 113.292 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -59.06 6.03 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 107.342 -1.355 . . . . 2.51 107.342 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -53.75 -42.27 68.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.958 0.885 . . . . 4.84 111.561 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -49.02 -37.94 22.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.969 2.108 . . . . 3.38 112.604 -175.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm -50.62 -61.5 2.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.76 0.709 . . . . 5.89 111.132 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -58.64 -53.94 52.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.847 0.859 . . . . 7.61 109.592 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -78.67 -15.02 58.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.854 1.057 . . . . 4.36 113.854 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -112.3 73.81 0.83 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.238 -1.393 . . . . 6.12 107.238 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -50.98 -51.12 55.96 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.557 -1.275 . . . . 11.55 107.557 170.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -147.13 -163.88 1.87 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.686 1.994 . . . . 12.02 106.263 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -116.28 145.64 43.01 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.977 -1.86 . . . . 16.42 105.977 166.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.22 -67.96 1.93 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 123.774 0.702 . . . . 14.47 112.3 -159.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.82 132.85 72.91 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-O 118.212 -0.899 . . . . 17.43 108.633 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -60.43 126.44 19.99 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.86 2.374 . . . . 20.5 109.434 -173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 108.081 -2.007 . . . . 21.72 108.081 -176.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.015 4.019 . . . . 3.96 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 P-O3'-C3' 123.764 3.387 . . . . 3.98 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.243 0 P-O3'-C3' 124.474 3.978 . . . . 5.19 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.934 1 O4'-C1'-N19 111.11 4.138 . . . . 4.63 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 2 C4'-C3'-C2' 97.458 -5.742 . . . . 3.11 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.306 0 O5'-C5'-C4' 114.804 3.289 . . . . 2.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 O5'-C5'-C4' 115.347 3.676 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.924 0 P-O3'-C3' 123.778 3.399 . . . . 1.92 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 2 O4'-C1'-N19 111.842 5.052 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 P-O3'-C3' 124.534 4.029 . . . . 3.07 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C4'-C3' 108.229 2.629 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.117 0 P-O3'-C3' 124.107 3.672 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 2 P-O3'-C3' 124.903 4.336 . . . . 2.68 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.671 0 O4'-C1'-N19 110.514 3.392 . . . . 4.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 2 O4'-C1'-N19 113.474 7.093 . . . . 5.15 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.532 1 O4'-C1'-N19 111.19 4.238 . . . . 4.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.362 1 O4'-C1'-N19 111.636 4.796 . . . . 3.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 1 C4'-C3'-C2' 98.57 -4.63 . . . . 2.65 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.182 0 O5'-C5'-C4' 113.871 2.622 . . . . 2.97 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.545 2 O4'-C1'-N19 112.484 5.855 . . . . 2.95 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 1 P-O3'-C3' 126.039 5.282 . . . . 2.06 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 O4'-C1'-N19 110.543 3.428 . . . . 3.83 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 P-O3'-C3' 125.035 4.445 . . . . 1.91 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.223 0 P-O3'-C3' 123.44 3.117 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.939 5.173 . . . . 3.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.928 3.91 . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 O4'-C1'-C2' 102.091 -3.644 . . . . 3.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O5'-C5'-C4' 114.466 3.047 . . . . 4.77 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.703 0.287 . . . . 15.18 110.386 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -67.71 -24.96 65.45 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 114.447 1.277 . . . . 19.8 114.447 -172.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -75.18 161.23 29.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.543 0.737 . . . . 12.67 110.579 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.77 177.0 3.81 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 123.482 0.713 . . . . 8.2 109.363 165.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.0 99.01 0.18 Allowed Glycine 0 C--N 1.331 0.267 0 O-C-N 121.303 -0.873 . . . . 5.95 111.784 -174.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -70.63 172.65 8.27 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.689 -0.486 . . . . 6.29 109.689 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -129.02 92.73 3.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.836 -1.172 . . . . 4.56 107.836 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 118.0 12.32 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.087 -1.079 . . . . 5.82 108.087 175.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -78.76 128.46 33.44 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.726 -0.609 . . . . 3.62 109.673 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -66.17 141.75 57.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.43 -1.322 . . . . 4.72 107.43 156.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -49.03 -36.74 18.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.112 0.965 . . . . 9.85 111.899 -175.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -43.38 -42.52 4.68 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.82 1.044 . . . . 4.96 113.82 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -70.08 -57.29 5.13 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.048 -1.093 . . . . 4.21 108.048 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -51.96 -36.17 48.62 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.207 1.403 . . . . 2.97 113.08 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -47.09 35.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.273 1.829 . . . . 4.91 111.762 -169.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.73 -61.5 1.91 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.755 1.264 . . . . 3.63 109.334 171.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 64.8 mt -65.89 -33.08 75.01 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 112.638 -2.074 . . . . 2.64 110.023 -162.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.87 -49.91 70.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.483 0.583 . . . . 4.45 110.588 173.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.75 -46.4 82.34 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 109.524 -0.547 . . . . 5.9 109.524 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.17 -43.68 70.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.258 -0.401 . . . . 4.3 110.147 176.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.6 -39.95 95.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.433 0.56 . . . . 3.24 111.061 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -58.29 -34.97 71.12 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.357 -0.839 . . . . 5.08 110.119 173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.71 -46.86 23.84 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.467 0.707 . . . . 5.85 112.842 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.58 179.3 7.91 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 124.76 1.224 . . . . 4.31 110.051 -161.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.67 -54.76 2.58 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.876 0.871 . . . . 4.96 111.494 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -128.6 1.96 5.54 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.419 1.266 . . . . 5.68 114.419 -164.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.22 177.35 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 125.492 1.517 . . . . 3.58 112.177 174.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.7 m -97.59 145.86 25.86 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.75 -1.574 . . . . 4.25 106.75 159.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -42.05 -52.57 4.2 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.543 1.537 . . . . 5.67 110.955 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -42.16 -64.62 0.56 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.892 0.877 . . . . 6.94 111.683 173.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -59.07 -37.34 76.84 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 121.23 -0.919 . . . . 4.35 111.128 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -55.03 -45.68 75.21 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.39 0.996 . . . . 4.78 110.374 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.68 -51.04 77.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.341 -0.614 . . . . 3.16 109.341 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -61.72 -43.41 98.9 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.417 -0.802 . . . . 5.03 111.483 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.43 -58.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.276 1.43 . . . . 3.2 109.206 166.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.15 -52.0 22.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.337 0.655 . . . . 1.97 111.625 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -68.32 -44.13 76.04 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.631 0.651 . . . . 2.46 111.569 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.44 -53.97 52.11 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.818 0.847 . . . . 2.72 110.178 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.47 -25.12 62.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.136 0.574 . . . . 2.64 111.034 175.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 12.2 m 65.47 63.25 0.64 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.25 1.42 . . . . 2.14 109.154 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 75.7 mt -130.7 164.51 24.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.495 2.318 . . . . 1.61 106.209 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -76.75 153.3 35.14 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.69 0.757 . . . . 1.75 110.656 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.67 -42.1 92.14 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.489 -0.757 . . . . 4.16 109.066 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -36.82 -71.57 0.07 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 125.091 1.356 . . . . 3.31 109.251 163.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -50.35 -50.3 51.62 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.546 0.738 . . . . 2.08 112.091 -174.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.05 -49.88 82.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 119.579 1.082 . . . . 1.29 109.83 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -49.59 -57.82 6.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.058 0.943 . . . . 2.2 109.1 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mm -51.41 -46.62 35.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 125.017 1.327 . . . . 1.08 112.849 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -55.39 -52.43 63.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.929 -0.767 . . . . 2.04 108.929 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -67.78 -42.7 81.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.067 0.547 . . . . 2.47 110.759 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -46.02 -58.82 3.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.572 0.701 . . . . 3.58 109.841 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -71.02 -43.47 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.134 -0.691 . . . . 4.73 109.134 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -54.09 -47.62 71.56 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.1 -0.333 . . . . 3.43 110.1 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -52.31 -58.8 5.54 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.023 -1.048 . . . . 4.58 110.672 171.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 34.9 mmt -50.54 -47.53 57.61 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.56 0.695 . . . . 2.28 111.027 -175.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -67.2 -47.0 72.21 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.38 0.672 . . . . 3.87 109.795 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -53.18 -36.24 60.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 125.942 1.697 . . . . 2.71 111.437 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.01 -60.99 2.59 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.179 0.992 . . . . 5.89 110.621 -176.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -57.3 -53.46 57.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.97 0.908 . . . . 8.63 109.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -61.75 -61.2 2.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.69 0.757 . . . . 5.88 112.984 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -95.05 37.67 1.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.563 -0.744 . . . . 4.76 112.375 -127.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm 23.31 74.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.05 2.54 . . . . 8.57 111.944 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.9 t -141.59 131.48 24.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.181 -1.044 . . . . 12.0 108.181 -174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -135.12 150.29 50.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.139 -1.8 . . . . 19.62 106.139 166.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.18 168.98 21.21 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 107.609 -2.196 . . . . 18.85 107.609 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -164.52 81.37 1.31 Allowed Pre-proline 0 C--O 1.237 0.437 0 N-CA-C 108.073 -1.084 . . . . 23.79 108.073 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -55.67 132.64 53.33 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 N-CA-C 106.628 -2.105 . . . . 24.4 106.628 153.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.37 0 CA-C-O 118.399 -1.223 . . . . 27.37 110.881 177.334 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 113.767 7.459 . . . . 5.06 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.071 2.838 . . . . 4.67 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . 0.404 " H2'" ' C8 ' ' A' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.726 2 O4'-C1'-N19 112.406 5.757 . . . . 3.96 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . 0.404 ' C8 ' " H2'" ' A' ' 3' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.547 4.549 1 O4'-C1'-N19 111.89 5.113 . . . . 3.75 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.216 0 O4'-C1'-N19 110.503 3.379 . . . . 2.53 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 110.629 3.536 . . . . 3.64 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O3'-C3' 123.497 3.164 . . . . 1.36 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 P-O3'-C3' 124.046 3.621 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.533 4.667 . . . . 1.71 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.883 0 P-O3'-C3' 122.848 2.624 . . . . 1.61 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 112.516 5.895 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 0 P-O3'-C3' 124.097 3.664 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.365 0 N19-C1'-C2' 108.957 -3.277 . . . . 2.82 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 0 P-O3'-C3' 123.222 2.935 . . . . 4.27 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 1 O4'-C1'-N19 113.807 7.509 . . . . 6.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 1 C4'-C3'-C2' 99.027 -4.173 . . . . 4.95 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.05 1 O4'-C1'-N19 111.055 4.068 . . . . 2.83 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 122.527 2.356 . . . . 2.29 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.359 0 P-O3'-C3' 123.625 3.271 . . . . 2.58 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.911 2 O4'-C1'-N19 114.857 8.821 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.319 1 O4'-C1'-N19 112.947 6.434 . . . . 2.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 N19-C1'-C2' 108.924 -3.297 . . . . 1.98 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 P-O3'-C3' 123.323 3.019 . . . . 1.78 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.77 0 O4'-C1'-N19 110.872 3.84 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-C2' 101.82 -3.891 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 1 O4'-C1'-N19 112.32 5.65 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 1 O4'-C1'-N19 111.047 4.059 . . . . 3.1 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.782 0 O4'-C1'-N19 110.473 3.341 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 2.4 ppp? . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 119.752 -0.166 . . . . 16.64 111.188 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -66.78 129.06 38.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.285 -1.005 . . . . 19.58 108.285 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -77.1 160.64 28.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.135 -0.484 . . . . 13.9 111.196 -156.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -50.03 131.01 22.95 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 106.889 -1.523 . . . . 8.55 106.889 163.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.24 88.98 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.887 -2.085 . . . . 6.8 107.887 -157.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -63.8 151.29 42.62 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.908 0.883 . . . . 5.95 110.769 -171.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.71 57.47 2.21 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 128.835 2.854 . . . . 10.47 112.856 170.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -73.13 -27.58 61.76 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.444 -0.785 . . . . 6.17 111.782 169.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -33.09 135.21 0.1 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.741 2.416 . . . . 4.04 113.087 -161.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 150.27 42.98 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.739 0.816 . . . . 4.68 108.854 175.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -54.24 -42.91 70.4 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.285 -0.26 . . . . 6.44 111.242 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -39.86 -45.99 1.91 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 126.895 2.078 . . . . 4.67 112.367 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.94 -54.94 11.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.878 -0.786 . . . . 3.3 108.878 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -45.97 61.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.967 0.413 . . . . 3.34 110.824 174.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.05 -47.32 74.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 118.338 -0.839 . . . . 3.4 113.134 -170.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.74 -27.5 50.49 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.082 -1.047 . . . . 4.38 111.047 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.01 -44.97 90.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 118.59 0.632 . . . . 1.98 109.935 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -56.66 -30.96 63.92 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.892 -0.505 . . . . 3.01 111.628 170.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -76.44 -47.9 21.51 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.958 1.303 . . . . 4.94 110.205 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -52.89 -63.08 1.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.008 -1.479 . . . . 3.52 107.008 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -80.5 63.14 4.84 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 123.103 1.43 . . . . 3.01 110.702 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -168.13 -49.32 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 127.339 2.256 . . . . 4.43 105.332 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.09 -57.63 12.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.499 -0.556 . . . . 4.16 109.499 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 179.81 6.11 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 125.734 1.614 . . . . 2.73 110.454 -170.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -139.51 -54.54 0.56 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 123.234 0.614 . . . . 5.05 112.179 -174.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -96.03 122.31 38.71 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.629 -0.878 . . . . 3.88 108.629 -167.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -101.02 132.67 46.33 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.512 0.725 . . . . 2.89 109.87 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -65.71 153.26 42.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.139 -1.43 . . . . 4.18 107.139 165.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.62 -46.39 77.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.466 1.03 . . . . 5.29 109.836 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -65.93 9.68 0.13 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.494 1.118 . . . . 6.42 113.829 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -116.24 -49.42 2.68 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 119.964 -1.71 . . . . 4.31 108.41 158.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.12 -44.87 3.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.351 2.26 . . . . 4.97 111.62 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.04 -64.76 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 124.352 1.061 . . . . 2.65 108.648 170.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -49.25 -42.23 40.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.468 1.507 . . . . 4.94 113.566 -166.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mm -42.84 -55.11 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 O-C-N 124.389 1.056 . . . . 2.67 108.789 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.56 83.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.097 0.559 . . . . 1.86 111.703 -170.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -62.2 -50.41 71.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.787 -0.82 . . . . 2.65 108.787 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.44 -55.47 31.32 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.76 0.824 . . . . 2.6 111.194 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.38 -43.65 93.8 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.099 -0.704 . . . . 3.61 109.099 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m 72.49 45.06 0.37 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 126.381 1.872 . . . . 2.63 111.086 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.43 -120.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 105.118 -2.178 . . . . 2.97 105.118 152.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -146.13 164.24 32.82 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.587 1.085 . . . . 2.91 109.392 166.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -48.28 80.44 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.502 0.721 . . . . 4.09 110.155 -172.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -52.23 -55.59 20.22 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.089 0.471 . . . . 3.69 109.772 173.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.36 -37.87 82.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.512 -0.743 . . . . 2.53 111.636 -169.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.96 -51.57 68.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 119.093 0.86 . . . . 1.36 110.308 173.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -45.31 -57.29 4.11 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 108.565 -0.902 . . . . 2.46 108.565 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mm -60.8 -41.89 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 115.388 -0.824 . . . . 0.82 111.527 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -59.56 -49.73 76.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.663 1.119 . . . . 1.47 109.251 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -61.89 -52.42 64.19 Favored 'General case' 0 C--N 1.334 -0.081 0 O-C-N 121.781 -0.574 . . . . 3.17 109.539 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -46.97 -63.59 1.0 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.152 1.381 . . . . 3.65 108.886 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -56.87 -58.99 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.425 1.09 . . . . 3.69 110.515 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.09 -47.92 74.28 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.051 -0.352 . . . . 4.48 110.051 -173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -68.13 -45.5 73.43 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 122.08 -0.387 . . . . 3.66 110.797 -176.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -39.69 89.2 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.228 -0.92 . . . . 3.19 110.36 -175.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -71.18 -40.18 71.4 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.218 1.007 . . . . 5.44 109.404 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.28 156.22 0.87 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 125.602 2.62 . . . . 3.11 109.509 166.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm 152.4 -121.56 0.0 OUTLIER 'General case' 0 N--CA 1.422 -1.857 2 C-N-CA 138.787 6.835 . . . . 5.31 103.343 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -58.44 -46.61 86.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.973 0.892 . . . . 10.85 109.247 -170.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -27.67 65.48 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 121.228 -0.92 . . . . 6.38 111.62 -170.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -97.4 1.9 49.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.496 1.044 . . . . 7.15 111.141 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -66.81 -63.76 1.0 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.04 -1.037 . . . . 9.29 108.715 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 78.9 p 60.98 -98.91 0.09 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.305 1.842 . . . . 9.75 113.774 171.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -59.59 -63.64 1.23 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.868 0.467 . . . . 15.84 111.814 -158.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.37 106.55 1.38 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.044 -1.623 . . . . 12.63 109.044 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -137.97 76.02 40.63 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 123.895 0.878 . . . . 16.16 110.241 -172.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.31 -144.57 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.52 2.813 . . . . 17.97 107.307 162.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 110.104 -1.199 . . . . 19.44 110.104 169.51 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.927 1 O4'-C1'-N19 111.96 5.201 . . . . 3.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C4'-C3' 108.572 2.972 . . . . 3.73 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 1 O4'-C1'-N19 111.522 4.652 . . . . 4.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 2 O4'-C1'-N19 113.846 7.558 . . . . 4.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.866 0 O4'-C1'-N19 110.629 3.537 . . . . 2.19 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 112.183 5.478 . . . . 2.67 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 0 C4'-C3'-C2' 99.303 -3.897 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 O4'-C4'-C3' 109.195 3.595 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.961 5.201 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 P-O3'-C3' 124.156 3.713 . . . . 1.42 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.121 4.151 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 1 O4'-C1'-N19 111.5 4.625 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 0 P-O3'-C3' 124.246 3.788 . . . . 3.81 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 2 C4'-C3'-C2' 98.423 -4.777 . . . . 5.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 116.087 10.358 . . . . 7.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.494 0 C4'-C3'-C2' 100.172 -3.028 . . . . 4.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 112.713 6.142 . . . . 3.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.13 1 O4'-C1'-N19 113.049 6.562 . . . . 2.85 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.2 1 O5'-C5'-C4' 116.906 4.79 . . . . 2.22 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 3 O4'-C1'-N19 113.908 7.635 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 112.257 5.571 . . . . 2.63 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.325 0 O4'-C1'-C2' 102.543 -3.234 . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 P-O3'-C3' 124.52 4.017 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 P-O3'-C3' 123.45 3.125 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.017 2.772 . . . . 2.66 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 112.938 6.422 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 1 O4'-C1'-N19 111.272 4.339 . . . . 3.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.005 0 O4'-C1'-N19 110.634 3.543 . . . . 3.81 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 107.944 -1.132 . . . . 17.06 107.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -44.2 139.56 2.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.955 1.702 . . . . 16.01 113.199 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -115.48 -149.91 0.45 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.905 2.082 . . . . 14.75 107.143 173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -65.86 171.66 4.21 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.413 -0.804 . . . . 8.37 109.986 161.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.04 88.93 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 109.833 -1.307 . . . . 5.31 109.833 171.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -59.14 144.14 46.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.115 0.483 . . . . 4.97 109.832 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -116.02 175.51 5.51 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 127.034 2.134 . . . . 4.21 106.27 170.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 12.6 m -140.23 98.81 3.52 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 105.597 -2.001 . . . . 3.96 105.597 170.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.84 122.9 11.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 122.282 1.039 . . . . 2.7 111.956 -166.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.66 158.05 28.38 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.047 1.739 . . . . 2.89 110.005 174.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -48.97 -53.7 18.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.558 0.743 . . . . 6.21 110.609 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -40.93 -51.6 3.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.353 1.061 . . . . 3.61 111.971 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.24 -42.0 76.22 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.246 0.618 . . . . 3.25 110.515 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -63.62 -36.57 84.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.603 -0.686 . . . . 2.09 111.454 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.06 -56.34 15.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.907 0.883 . . . . 4.71 111.053 -158.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.75 -33.96 76.81 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 118.835 -1.146 . . . . 3.6 110.713 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.15 -38.02 89.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.639 1.176 . . . . 1.89 111.601 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.84 -47.85 64.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.986 0.812 . . . . 3.34 110.364 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -67.71 -41.79 83.01 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.853 -0.594 . . . . 4.14 110.284 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.18 -61.24 2.36 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 118.485 0.584 . . . . 3.28 109.779 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -48.73 -53.26 19.64 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.96 0.904 . . . . 2.16 111.578 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -58.15 -47.91 81.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.337 -0.847 . . . . 4.09 110.067 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.44 -47.86 68.94 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.824 0.821 . . . . 4.25 111.469 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 105.62 2.43 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.775 1.63 . . . . 2.84 110.944 -163.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.9 ttp-105 -72.3 -53.87 11.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.143 0.977 . . . . 5.3 109.556 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -65.19 132.27 48.67 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.101 -1.814 . . . . 4.64 106.101 162.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.23 -92.76 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 106.393 -1.706 . . . . 4.9 106.393 170.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . 0.252 1.8 t -170.45 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.09 -1.007 . . . . 4.24 108.474 163.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -141.68 -75.35 0.3 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.709 -1.219 . . . . 8.73 107.709 162.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -79.79 59.39 3.1 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.86 -1.15 . . . . 7.68 110.087 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 27.2 mmm-85 -123.31 -47.7 1.99 Allowed 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.106 -1.442 . . . . 3.73 107.106 152.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -45.51 25.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.82 1.191 . . . . 5.69 113.313 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.5 -56.12 18.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 107.54 -1.281 . . . . 2.76 107.54 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.75 -42.45 79.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.262 1.425 . . . . 4.27 110.541 -171.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 mm -52.27 -50.7 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 119.379 0.991 . . . . 2.64 109.967 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.16 84.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.74 -0.664 . . . . 2.24 110.056 -172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -71.73 -56.1 6.42 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.563 0.745 . . . . 3.0 109.017 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.7 -65.3 0.59 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.909 1.684 . . . . 2.64 109.821 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.06 -18.77 63.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.842 -0.599 . . . . 2.26 111.745 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 20.4 m 57.38 55.59 5.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.943 0.792 . . . . 2.59 108.917 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -127.89 159.68 34.15 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 104.971 -2.233 . . . . 1.96 104.971 171.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -68.36 152.09 45.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.671 0.748 . . . . 2.47 109.81 -171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -45.26 65.35 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.548 -0.72 . . . . 5.59 109.654 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -46.42 -66.76 0.36 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.536 1.135 . . . . 3.66 109.957 168.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -49.86 -44.36 49.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.662 0.385 . . . . 2.09 111.372 -173.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.55 -55.94 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.405 0.548 . . . . 1.3 110.24 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -50.68 -54.45 22.98 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.128 -0.693 . . . . 3.23 109.128 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mm -53.59 -41.09 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.266 0.626 . . . . 0.83 111.235 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -60.35 -54.06 50.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.443 1.02 . . . . 1.45 110.606 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -59.38 -48.88 79.94 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.428 -0.795 . . . . 1.42 110.0 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.91 -47.16 77.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.997 0.919 . . . . 4.78 110.505 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.14 -55.78 24.44 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.518 -0.919 . . . . 3.3 108.518 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.96 -36.65 68.06 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 119.006 -0.521 . . . . 3.07 111.967 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -55.95 -53.48 56.35 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.548 1.067 . . . . 4.74 110.562 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -58.57 -37.03 74.88 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.028 0.751 . . . . 2.25 113.028 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -68.83 -47.06 66.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.319 1.057 . . . . 5.39 109.344 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -65.3 -173.51 0.14 Allowed 'General case' 0 N--CA 1.433 -1.3 0 N-CA-C 106.532 -1.655 . . . . 2.88 106.532 169.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 60.24 -70.48 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 127.515 2.326 . . . . 5.14 108.391 -158.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.94 -61.46 2.28 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.567 1.147 . . . . 7.24 109.667 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -86.42 41.77 0.96 Allowed 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.685 -0.634 . . . . 4.38 110.921 176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -130.97 72.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.878 -0.514 . . . . 5.8 110.172 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -69.18 -65.37 0.72 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.767 -1.198 . . . . 8.84 107.767 167.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 48.88 38.58 12.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.568 1.147 . . . . 10.57 111.69 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -139.54 -177.93 5.16 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.775 -2.306 . . . . 13.99 104.775 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.45 48.0 5.79 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 107.774 -2.131 . . . . 14.87 107.774 -157.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.99 159.03 41.19 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 127.454 2.302 . . . . 18.1 107.027 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.93 -35.54 89.68 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.323 2.015 . . . . 21.33 112.603 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.479 0 N-CA-C 107.687 -2.165 . . . . 21.11 107.687 175.264 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.007 1 O4'-C1'-N19 111.391 4.488 . . . . 4.15 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 P-O3'-C3' 123.798 3.415 . . . . 4.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.674 0 C1'-O4'-C4' 104.614 -3.633 . . . . 5.05 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . 0.428 " H2'" ' C8 ' ' A' ' 5' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.028 0 O4'-C1'-N19 110.361 3.202 . . . . 3.61 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . 0.428 ' C8 ' " H2'" ' A' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.792 3.74 . . . . 2.73 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.058 0 O4'-C1'-N19 110.781 3.726 . . . . 2.41 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 C3'-C2'-C1' 106.278 2.556 . . . . 2.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 0 P-O3'-C3' 123.71 3.342 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 P-O3'-C3' 123.837 3.447 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O4'-C1'-C2' 102.68 -3.109 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.387 1 O4'-C1'-N19 113.566 7.208 . . . . 3.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C4'-C3' 108.647 3.047 . . . . 3.62 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 N19-C1'-C2' 109.181 -3.137 . . . . 2.12 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 C4'-C3'-C2' 100.124 -3.076 . . . . 2.95 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 1 O4'-C1'-N19 112.971 6.464 . . . . 4.44 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.214 1 O4'-C1'-N19 112.815 6.269 . . . . 3.74 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 1 O4'-C1'-N19 111.132 4.165 . . . . 3.09 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 2 O4'-C1'-N19 112.747 6.184 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 1 O4'-C1'-N19 111.678 4.848 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.775 1 O4'-C1'-N19 111.405 4.506 . . . . 2.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 0 P-O3'-C3' 123.402 3.085 . . . . 1.65 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 O4'-C4'-C3' 108.636 3.036 . . . . 2.07 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.67 0 P-O3'-C3' 123.919 3.515 . . . . 2.61 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 O4'-C1'-N19 110.064 2.83 . . . . 3.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.178 0 O3'-P-O5' 110.313 3.323 . . . . 3.04 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C1'-N19 113.39 6.988 . . . . 3.43 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.603 3.503 . . . . 4.02 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 C1'-O4'-C4' 105.302 -3.141 . . . . 3.93 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 80.4 mmm . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 108.149 -1.056 . . . . 18.87 108.149 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -84.05 141.02 31.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.176 1.39 . . . . 14.43 109.387 -176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -83.29 -179.64 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 123.852 0.861 . . . . 12.5 110.599 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -54.74 169.97 0.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.56 1.944 . . . . 6.81 112.322 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . -33.34 -85.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 127.205 2.335 . . . . 5.62 116.238 -167.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . 0.265 1.7 ttt85 24.58 117.29 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.974 3.31 . . . . 5.95 117.16 -161.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -99.08 164.21 12.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.656 2.382 . . . . 4.64 106.976 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -143.34 144.28 32.01 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.919 -0.771 . . . . 5.63 108.919 148.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -88.56 115.75 26.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.907 -0.496 . . . . 4.21 111.847 -163.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 63.0 p -56.28 155.98 6.26 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 109.585 -0.524 . . . . 4.41 109.585 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -49.94 -50.61 45.98 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.956 -0.387 . . . . 7.96 109.956 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.48 -51.32 36.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.723 -0.611 . . . . 5.16 110.536 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -82.2 42.86 0.76 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.683 -0.636 . . . . 3.82 111.132 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -146.72 -55.05 0.25 Allowed 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 3.75 105.945 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -40.88 -43.69 2.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.969 2.108 . . . . 4.33 115.166 -172.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.64 -35.67 14.08 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 119.073 0.851 . . . . 5.32 112.076 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.28 -33.78 63.52 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 123.923 0.889 . . . . 3.68 110.06 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.3 -60.16 2.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 4.82 111.601 169.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -66.79 -36.69 83.0 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 119.434 -0.317 . . . . 7.64 111.287 -173.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -58.3 -54.03 51.65 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 120.425 -0.51 . . . . 4.93 110.458 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.02 -44.92 61.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.271 0.487 . . . . 3.7 109.756 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -57.15 -58.26 8.99 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.374 -0.346 . . . . 6.52 111.005 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.22 -57.05 10.6 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.895 0.771 . . . . 7.24 111.231 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 112.0 13.25 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.895 1.678 . . . . 4.22 111.048 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -71.28 -51.09 26.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.143 -1.058 . . . . 6.61 108.143 160.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.88 78.22 4.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.301 -0.629 . . . . 4.6 109.301 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.35 125.93 25.54 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.668 -1.234 . . . . 3.88 107.668 162.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 145.24 20.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.872 -1.159 . . . . 5.49 107.872 161.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -44.96 -64.16 0.77 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.554 0.742 . . . . 6.79 110.064 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -83.61 42.55 0.85 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.981 -1.075 . . . . 8.01 112.043 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -114.47 -52.82 2.7 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 106.23 -1.767 . . . . 9.26 106.23 146.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -50.83 -41.73 57.89 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.688 1.195 . . . . 4.69 111.971 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -59.64 -48.57 86.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 120.901 -1.125 . . . . 4.25 109.835 172.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.9 -36.78 75.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.612 1.165 . . . . 6.02 112.407 -174.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 32.6 mm -47.39 -55.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.377 0.608 . . . . 3.88 110.014 168.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.64 65.36 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.657 1.183 . . . . 3.37 109.824 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -57.25 -56.46 21.48 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.377 -0.231 . . . . 5.01 110.377 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.47 -55.69 20.24 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.816 0.846 . . . . 4.32 111.592 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -75.18 -17.93 60.28 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.186 -0.461 . . . . 3.85 111.003 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m 59.41 60.15 2.4 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.346 1.458 . . . . 4.5 108.953 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -126.5 162.51 25.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.961 -1.866 . . . . 3.02 105.961 171.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.76 151.99 41.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.816 -0.809 . . . . 3.17 108.816 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' P' ' 42' ' ' GLU . 0.0 OUTLIER -51.34 -48.01 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.967 0.907 . . . . 4.98 110.567 178.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -49.68 -55.61 13.15 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.678 -0.86 . . . . 3.02 108.678 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -51.28 -48.29 62.29 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.273 0.559 . . . . 3.86 110.888 -174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 28.0 mm -54.93 -49.13 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.221 0.534 . . . . 2.15 109.714 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -48.54 77.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.727 -0.608 . . . . 2.9 110.257 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.89 -49.1 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.144 0.578 . . . . 0.89 110.1 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -47.76 -52.32 19.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.864 0.756 . . . . 2.52 109.352 175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -62.68 -58.81 6.17 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.92 -0.488 . . . . 3.1 110.1 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -59.01 -49.65 77.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.386 0.674 . . . . 4.85 110.05 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -56.95 -50.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.95 -0.759 . . . . 3.97 108.95 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -60.28 -32.34 71.1 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.453 -0.573 . . . . 3.86 109.453 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -50.88 63.12 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.371 -1.455 . . . . 4.66 111.333 172.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -51.9 -44.75 63.91 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.899 0.857 . . . . 3.11 110.566 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -57.72 -64.86 0.75 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.31 1.444 . . . . 5.88 110.626 169.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -46.71 -33.16 4.09 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 128.227 2.611 . . . . 3.19 113.381 -174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -34.88 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.679 1.191 . . . . 5.98 111.71 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -54.44 -35.34 62.87 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.886 -0.509 . . . . 7.13 112.033 -174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.25 -34.04 63.5 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.182 0.993 . . . . 5.23 113.584 -174.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -129.08 46.28 2.66 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.526 0.33 . . . . 5.74 110.837 -154.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? 70.95 92.62 0.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.712 1.605 . . . . 12.06 108.811 -172.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -43.78 -54.69 4.98 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.146 0.978 . . . . 12.99 112.736 -174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 38.9 63.73 0.88 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 122.942 1.354 . . . . 17.76 110.137 -166.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.43 -166.04 21.58 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 107.939 -2.064 . . . . 19.04 107.939 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 47.75 70.24 2.2 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.581 1.552 . . . . 22.33 111.623 -172.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -50.95 -61.87 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 123.183 2.589 . . . . 26.35 113.445 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 108.544 -1.823 . . . . 26.81 108.544 -177.87 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.536 1 O4'-C1'-N19 114.755 8.694 . . . . 4.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C4'-C3' 109.28 3.68 . . . . 4.14 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.301 2 O4'-C1'-N19 111.385 4.482 . . . . 4.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 4 O4'-C1'-N19 113.268 6.836 . . . . 4.87 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.092 0 O4'-C1'-N19 109.749 2.437 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.453 1 O4'-C1'-N19 112.927 6.409 . . . . 3.05 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 C4'-C3'-C2' 99.559 -3.641 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.789 0 O4'-C4'-C3' 109.165 3.565 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 P-O3'-C3' 124.0 3.584 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 P-O3'-C3' 124.21 3.758 . . . . 1.6 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 112.012 5.265 . . . . 2.61 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 N19-C1'-C2' 109.862 -2.711 . . . . 2.31 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O5'-C5'-C4' 115.057 3.469 . . . . 2.2 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 O4'-C4'-C3' 102.505 -3.095 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 114.206 8.008 . . . . 4.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 1 O4'-C1'-N19 112.454 5.817 . . . . 3.37 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C4'-C3' 108.095 2.495 . . . . 2.82 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.285 2 O4'-C1'-N19 111.914 5.142 . . . . 2.46 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.757 2 O4'-C1'-N19 113.017 6.522 . . . . 2.82 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-C2' 102.03 -3.7 . . . . 2.53 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.604 1 P-O3'-C3' 125.921 5.184 . . . . 1.49 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 N19-C1'-C2' 108.859 -3.338 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.874 0 O4'-C1'-C2' 102.552 -3.225 . . . . 3.21 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 0 P-O3'-C3' 123.396 3.08 . . . . 3.95 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C1'-N19 111.038 4.048 . . . . 2.75 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O3'-P-O5' 109.401 2.843 . . . . 3.99 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-C2' 102.84 -2.964 . . . . 4.72 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.104 0 O4'-C1'-N19 110.756 3.695 . . . . 4.93 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 43.2 mmm . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 109.592 -0.521 . . . . 20.49 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -109.8 -156.81 0.6 Allowed 'General case' 0 C--O 1.239 0.538 0 N-CA-C 105.803 -1.925 . . . . 18.26 105.803 167.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -72.59 82.41 1.11 Allowed 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.05 -1.031 . . . . 11.17 109.386 170.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -60.64 152.32 26.73 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.107 -1.442 . . . . 9.17 107.107 149.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.47 65.95 0.49 Allowed Glycine 0 CA--C 1.519 0.33 0 N-CA-C 108.205 -1.958 . . . . 5.41 108.205 -173.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 29.6 ttp85 -51.36 135.57 26.73 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.768 1.627 . . . . 5.22 112.014 -170.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -58.5 132.38 53.56 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.971 1.708 . . . . 3.93 106.977 167.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m -122.07 99.14 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.357 -1.349 . . . . 4.27 107.357 168.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -62.84 149.11 45.12 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.609 -1.626 . . . . 3.21 106.609 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -79.02 -140.87 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.42 -0.585 . . . . 3.72 109.42 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -100.42 -47.01 5.05 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 120.249 -1.532 . . . . 9.24 107.616 160.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -50.8 -52.08 44.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.51 0.724 . . . . 3.21 111.715 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.43 -42.51 87.44 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.281 -0.637 . . . . 4.12 109.281 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -67.2 -30.86 70.91 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.479 1.112 . . . . 2.67 111.536 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -70.29 0.1 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 125.082 1.353 . . . . 3.2 113.078 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.45 -28.43 69.27 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.252 -0.579 . . . . 3.82 111.054 -172.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.52 -38.2 88.97 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 119.091 -0.48 . . . . 2.06 110.873 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.23 -47.3 86.7 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 119.61 1.096 . . . . 3.79 110.702 170.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -53.89 -49.8 67.77 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.57 -0.53 . . . . 4.49 109.57 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -66.14 -62.25 1.59 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.533 1.133 . . . . 2.88 109.042 -174.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -57.35 -40.41 77.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.77 1.168 . . . . 3.21 112.919 -172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -68.72 -14.59 63.12 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.819 -1.175 . . . . 8.21 111.545 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -100.34 -71.63 0.7 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.314 1.046 . . . . 4.98 110.024 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -90.56 97.9 11.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 127.442 2.297 . . . . 3.72 108.048 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.54 -56.57 5.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.133 -1.062 . . . . 6.37 108.133 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -82.89 125.75 31.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.572 -1.27 . . . . 4.49 107.572 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -117.31 120.05 37.01 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.563 1.945 . . . . 2.63 106.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.2 p -67.69 159.73 29.48 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.361 0.528 . . . . 3.72 109.821 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -54.21 -53.15 57.44 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.33 0.652 . . . . 4.58 109.59 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -48.68 -61.39 2.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.056 0.542 . . . . 6.36 110.265 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -58.07 -43.83 87.17 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 118.056 0.389 . . . . 4.15 110.17 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -55.96 -47.45 77.6 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.521 1.055 . . . . 4.1 112.249 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -54.9 -49.5 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.343 -0.243 . . . . 2.54 110.343 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -59.51 -50.19 74.86 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 118.911 -0.566 . . . . 3.66 111.884 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.19 -57.27 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 125.775 1.63 . . . . 2.03 108.279 172.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.04 -49.61 60.22 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.812 0.845 . . . . 1.71 111.044 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -67.98 -36.93 80.86 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.874 -0.516 . . . . 2.34 112.293 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.09 -56.06 17.64 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.035 0.934 . . . . 2.33 109.55 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 36.9 mt -74.74 -18.51 60.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 118.949 -0.548 . . . . 2.56 111.883 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m 66.02 67.12 0.48 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.154 0.981 . . . . 2.2 109.286 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 68.4 mt -137.21 168.28 19.92 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.173 2.189 . . . . 1.81 106.269 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 21.0 p -77.55 158.87 29.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.269 0.94 . . . . 2.26 109.51 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -55.03 -41.13 70.99 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.662 -0.866 . . . . 3.68 108.662 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -51.35 -54.48 25.95 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.244 -0.65 . . . . 3.57 109.244 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -54.88 -44.49 74.14 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.037 -0.665 . . . . 2.3 111.153 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 14.3 mm -59.99 -52.37 61.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 121.12 -0.988 . . . . 1.29 110.357 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -45.98 -59.57 2.77 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.495 1.518 . . . . 2.39 108.875 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.6 -51.73 55.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 C-N-CA 126.302 1.841 . . . . 0.99 110.975 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -54.5 -54.45 40.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.956 0.884 . . . . 1.68 109.176 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.93 -53.06 61.86 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.537 0.735 . . . . 1.62 110.174 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -48.38 -62.16 1.63 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.749 1.62 . . . . 3.75 108.986 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -46.09 -52.7 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.114 1.766 . . . . 3.44 110.461 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.76 -47.03 64.28 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 119.032 -0.508 . . . . 3.81 111.595 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -50.72 -43.81 58.06 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.657 1.117 . . . . 4.49 113.097 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -54.66 43.45 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 107.967 -1.123 . . . . 2.14 107.967 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -69.79 -48.78 57.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 5.81 108.744 -170.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -41.25 -38.2 1.1 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.949 2.1 . . . . 2.63 112.657 172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -49.95 -48.13 52.21 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.0 -0.438 . . . . 4.8 110.711 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.07 -47.65 73.58 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.665 -0.495 . . . . 6.7 109.665 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.9 7.48 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.668 1.187 . . . . 4.51 113.864 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.58 -29.43 7.04 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 115.433 1.642 . . . . 4.93 115.433 -161.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -45.9 -24.72 0.43 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.549 1.14 . . . . 9.81 112.831 173.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m 83.98 141.15 0.06 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.499 1.92 . . . . 9.39 107.228 -175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -68.91 88.55 0.39 Allowed 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.538 -1.653 . . . . 17.37 106.538 169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.48 73.58 1.14 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 107.431 -2.268 . . . . 14.71 107.431 174.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -132.52 84.82 49.93 Favored Pre-proline 0 N--CA 1.447 -0.613 0 C-N-CA 126.959 2.104 . . . . 18.72 105.605 -172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.82 167.93 23.1 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.173 1.915 . . . . 22.22 110.578 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 107.5 -2.24 . . . . 24.88 107.5 -179.452 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.178 1 O4'-C1'-N19 113.206 6.757 . . . . 8.03 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 112.271 5.589 . . . . 6.3 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 0 P-O3'-C3' 122.645 2.454 . . . . 5.26 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.283 0 C3'-C2'-C1' 106.425 2.66 . . . . 3.69 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 O4'-C1'-N19 110.986 3.983 . . . . 2.21 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O3'-P-O5' 112.361 4.401 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.876 0 C4'-C3'-C2' 99.663 -3.537 . . . . 1.4 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 111.647 4.809 . . . . 1.34 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.976 0 O4'-C1'-N19 110.996 3.996 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.685 0 O4'-C4'-C3' 108.534 2.934 . . . . 2.1 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 112.814 6.268 . . . . 1.71 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . 0.401 ' H21' ' NH1' ' P' ' 5' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.494 0 P-O3'-C3' 124.185 3.737 . . . . 2.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.467 1 O4'-C4'-C3' 109.743 4.143 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 1 P-O3'-C3' 125.733 5.027 . . . . 3.04 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 114.555 8.443 . . . . 3.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 112.394 5.743 . . . . 3.56 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.574 0 C4'-C3'-O3' 117.146 3.112 . . . . 3.01 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 0.403 ' H72' ' HE3' ' P' ' 55' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.072 2 P-O3'-C3' 126.393 5.577 . . . . 2.56 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O4'-C1'-C2' 102.789 -3.01 . . . . 2.34 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.554 0 O4'-C1'-N19 110.77 3.712 . . . . 2.48 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 P-O3'-C3' 124.904 4.337 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 P-O3'-C3' 123.274 2.978 . . . . 1.76 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O5'-C5'-C4' 115.276 3.626 . . . . 2.16 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.908 0 O4'-C1'-N19 110.354 3.193 . . . . 2.62 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.264 1 O4'-C1'-N19 111.413 4.516 . . . . 2.73 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 2 C4'-C3'-C2' 98.606 -4.594 . . . . 5.08 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.247 4.308 . . . . 7.06 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 1 O4'-C1'-N19 112.341 5.676 . . . . 8.12 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 0' ' ' MET . . . . . . . . . . . . . 34.7 tpp . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 111.198 0.074 . . . . 15.24 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.56 159.51 0.15 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.863 2.065 . . . . 14.92 111.712 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -64.92 137.0 57.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.895 0.855 . . . . 11.86 110.855 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 158.82 7.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.489 1.116 . . . . 7.52 108.945 165.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.23 -145.02 38.61 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 121.748 -0.595 . . . . 6.31 112.588 171.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.401 ' NH1' ' H21' ' A' ' 12' ' ' ' DG' . 37.9 mtp85 -32.09 133.52 0.1 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 128.066 2.546 . . . . 5.38 112.638 -176.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -106.38 42.38 1.28 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.882 0.473 . . . . 5.69 111.042 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m 16.2 81.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 C-N-CA 127.972 2.509 . . . . 5.14 113.721 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -63.03 137.16 58.18 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.804 -1.554 . . . . 3.56 106.804 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 33.9 p -69.13 165.45 20.31 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.179 -1.045 . . . . 3.46 108.179 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -58.08 -51.83 68.05 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 119.124 -1.03 . . . . 9.37 108.685 168.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -39.47 -47.47 1.84 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.327 1.451 . . . . 4.78 113.162 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -57.71 -64.74 0.8 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.079 0.943 . . . . 3.54 109.813 173.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -45.73 -39.27 7.91 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.289 1.836 . . . . 2.78 113.424 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.21 -54.43 40.03 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.926 0.89 . . . . 5.11 112.265 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.5 -28.96 62.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.21 -0.596 . . . . 4.81 110.902 -177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.54 -44.44 90.82 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.748 0.819 . . . . 2.44 110.539 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -55.83 -42.82 76.3 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 120.925 -1.109 . . . . 3.83 110.923 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -58.18 -48.37 80.52 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.46 0.475 . . . . 5.06 109.818 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 19' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -56.61 -49.29 75.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.961 -1.019 . . . . 4.14 110.703 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -52.5 -45.07 66.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.72 0.691 . . . . 2.6 110.143 -178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 21' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -53.96 -56.58 16.5 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 4.77 109.786 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 22' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -65.12 -53.84 39.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 123.654 0.782 . . . . 8.03 111.146 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -148.88 117.1 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.101 -1.074 . . . . 4.41 108.101 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -69.06 -39.12 79.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.452 0.701 . . . . 5.64 109.459 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 120.52 39.18 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.29 -0.882 . . . . 7.32 109.326 167.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.13 161.0 26.78 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.598 1.159 . . . . 3.2 108.578 164.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -91.47 160.94 15.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.651 1.98 . . . . 4.39 108.716 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -82.9 59.92 5.12 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.342 -0.849 . . . . 4.99 111.312 -170.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -143.57 -61.94 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 104.596 -2.372 . . . . 9.36 104.596 161.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -47.67 -46.09 28.79 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.861 1.265 . . . . 5.08 112.114 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 18.6 ttm105 -58.44 -43.6 88.86 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.378 -0.826 . . . . 4.71 110.922 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.82 -54.72 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 108.168 -1.049 . . . . 3.1 108.168 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -49.28 -39.41 30.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 122.171 0.188 . . . . 4.31 111.158 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -68.67 -44.64 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 124.063 0.945 . . . . 3.05 112.02 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.95 34.47 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.145 -0.347 . . . . 1.81 110.783 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 36' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -68.41 -51.58 42.4 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.448 -0.311 . . . . 2.51 110.832 171.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.86 -56.79 3.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.457 1.503 . . . . 2.41 112.277 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 38' ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.96 -11.0 54.18 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.299 0.639 . . . . 2.87 112.083 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m 65.01 43.1 3.89 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.53 1.132 . . . . 2.27 110.69 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.29 -162.6 0.94 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.767 -1.568 . . . . 2.23 106.767 167.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.3 160.35 22.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 106.396 -1.705 . . . . 3.61 106.396 170.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.1 -40.69 70.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.273 -1.346 . . . . 4.69 112.73 -173.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -49.13 -49.33 42.7 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 119.917 1.235 . . . . 3.64 110.052 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -55.86 -51.66 66.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 118.407 0.549 . . . . 3.97 110.593 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 45' ' ' ILE . . . . . . . . . . . . . 43.8 mm -60.93 -56.59 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.014 -1.054 . . . . 1.28 109.629 -175.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -41.75 -58.04 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.377 1.871 . . . . 2.33 109.416 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.79 -54.97 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.209 1.404 . . . . 1.06 110.981 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -52.99 -50.38 64.3 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.022 -0.733 . . . . 1.6 109.022 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -59.05 -55.77 30.82 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.636 -0.665 . . . . 1.89 110.513 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -51.86 -59.53 4.21 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.493 1.139 . . . . 5.15 109.693 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -62.05 -41.97 98.69 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.596 1.558 . . . . 4.08 110.067 -171.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -39.36 93.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.215 0.606 . . . . 3.39 109.901 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -62.01 -53.25 58.23 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.245 -0.909 . . . . 3.87 112.063 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 54' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -35.71 -53.75 0.71 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 123.253 1.502 . . . . 2.13 110.765 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . 0.403 ' HE3' ' H72' ' B' ' 18' ' ' ' DT' . 50.4 mttm -79.33 -38.45 35.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.059 -1.882 . . . . 5.96 110.289 -165.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -55.06 112.81 1.14 Allowed 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.504 -1.665 . . . . 5.2 106.504 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 tptt 144.15 -74.52 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 1 C-N-CA 133.174 4.59 . . . . 8.51 104.74 176.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.96 -67.99 0.41 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.897 0.771 . . . . 6.91 109.442 171.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -60.12 -20.09 56.62 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.181 -0.949 . . . . 6.87 113.105 -173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 60' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -55.13 -26.85 41.15 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.822 -0.549 . . . . 8.44 111.994 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -40.64 -37.25 0.7 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.205 1.802 . . . . 15.37 114.378 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.9 -53.4 9.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.507 0.67 . . . . 14.49 109.433 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -87.95 52.28 2.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.23 1.014 . . . . 17.85 109.755 -168.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -43.01 76.26 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 109.656 -1.377 . . . . 14.17 109.656 172.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.48 120.77 70.81 Favored Pre-proline 0 CA--C 1.546 0.8 0 N-CA-C 108.007 -1.109 . . . . 17.71 108.007 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 66' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -57.32 -34.89 98.66 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.297 2.664 . . . . 18.63 114.109 -171.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.231 -1.548 . . . . 21.69 109.231 175.234 . . . . . . . . 0 0 . 1 stop_ save_