data_2ndj_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 2ndj _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.244 0.773 0 CA-C-O 124.829 2.252 . . . . 0.0 115.622 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.97 -36.33 84.05 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.074 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -74.64 -30.3 61.57 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 123.635 2.925 . . . . 0.0 115.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -60.87 -47.66 85.34 Favored 'General case' 0 C--O 1.185 -2.327 0 C-N-CA 127.236 2.214 . . . . 0.0 111.686 172.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.48 -37.99 79.65 Favored 'General case' 0 C--N 1.382 2.019 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.86 -24.25 64.33 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 118.601 2.815 . . . . 0.0 118.601 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -86.97 -36.04 18.51 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 116.088 -1.91 . . . . 0.0 108.227 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -37.31 87.13 Favored 'General case' 0 N--CA 1.529 3.497 0 O-C-N 126.798 2.562 . . . . 0.0 108.783 163.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -66.99 -39.08 87.05 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 120.817 1.644 . . . . 0.0 108.998 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.57 95.51 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 116.765 -3.709 . . . . 0.0 112.341 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.7 -36.64 76.22 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.202 0 C-N-CA 125.665 1.586 . . . . 0.0 110.952 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.38 -41.35 80.67 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 126.696 1.998 . . . . 0.0 114.485 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -64.76 -46.8 80.63 Favored 'General case' 1 N--CA 1.581 6.124 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.953 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.85 76.13 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 166.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 tp -65.49 -39.14 91.54 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 119.533 1.061 . . . . 0.0 108.559 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -65.68 -30.53 71.23 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 118.127 -2.858 . . . . 0.0 115.768 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.06 67.35 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 130.412 3.485 . . . . 0.0 116.208 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.279 53.0 m -64.02 -41.26 97.49 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.28 -61.15 1.91 Allowed 'General case' 0 N--CA 1.473 0.724 0 O-C-N 116.342 -3.974 . . . . 0.0 112.77 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -52.19 -50.25 62.26 Favored 'General case' 0 C--N 1.292 -1.923 1 CA-C-N 127.444 4.656 . . . . 0.0 112.551 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.322 55.5 p . . . . . 0 CA--C 1.57 1.722 0 O-C-N 117.93 -2.981 . . . . 0.0 115.957 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 . . . . . 0 C--O 1.203 -1.387 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.5 p -80.95 -22.69 39.39 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 117.441 2.385 . . . . 0.0 117.441 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.275 29.6 t80 -57.08 -40.44 76.92 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 130.788 3.635 . . . . 0.0 120.801 148.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 75.3 mtm -82.65 -34.58 27.42 Favored 'General case' 0 CA--C 1.608 3.203 0 O-C-N 119.983 -1.698 . . . . 0.0 109.546 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -57.26 -29.39 63.79 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 117.118 -3.488 . . . . 0.0 114.707 158.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.42 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.513 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.26 -37.51 83.61 Favored 'General case' 0 CA--C 1.592 2.56 0 CA-C-O 124.243 1.973 . . . . 0.0 114.45 166.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -74.05 -20.84 60.16 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.04 -44.09 66.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 123.901 0.881 . . . . 0.0 109.155 167.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.6 ttp -56.44 -33.84 66.25 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 118.803 -2.436 . . . . 0.0 113.356 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.279 19.6 t80 -66.88 -52.12 47.3 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 116.445 -3.909 . . . . 0.0 116.879 167.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.53 -28.86 70.14 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 114.361 -2.733 . . . . 0.0 105.578 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.369 6.1 t80 -62.0 -48.67 79.3 Favored 'General case' 0 C--O 1.246 0.886 1 CA-C-N 126.349 4.159 . . . . 0.0 118.381 166.831 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.71 68.72 Favored 'General case' 0 CA--C 1.595 2.709 0 CA-C-N 122.119 2.236 . . . . 0.0 113.807 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.14 -27.99 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.829 0 O-C-N 119.509 -1.994 . . . . 0.0 110.031 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 m -62.27 -25.49 67.87 Favored 'General case' 0 C--O 1.196 -1.744 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 167.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.28 57.5 t -64.56 -40.02 87.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.063 0 O-C-N 124.5 1.125 . . . . 0.0 111.539 167.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.29 -49.63 72.62 Favored Glycine 1 CA--C 1.626 7.004 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -71.06 -23.86 62.22 Favored 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 127.686 2.394 . . . . 0.0 105.479 -170.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.94 -53.0 29.67 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 125.579 3.809 . . . . 0.0 114.717 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.317 10.2 mt -56.48 -41.92 73.86 Favored 'Isoleucine or valine' 0 C--N 1.381 1.948 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.1 tp -78.88 -31.79 45.62 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.269 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.091 0 N-CA-C 117.884 1.914 . . . . 0.0 117.884 153.459 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.243 0.738 0 N-CA-C 120.098 3.37 . . . . 0.0 120.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.65 -28.1 69.14 Favored 'General case' 0 CA--C 1.454 -2.725 0 CA-C-N 123.863 3.029 . . . . 0.0 116.019 168.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -68.64 -26.85 65.54 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 126.776 2.03 . . . . 0.0 112.216 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -83.68 -36.64 23.6 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 117.772 -3.08 . . . . 0.0 107.915 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.312 8.9 t80 -52.84 -43.56 66.12 Favored 'General case' 0 CA--C 1.621 3.674 0 CA-C-N 122.359 2.345 . . . . 0.0 115.19 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -22.85 63.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 t -78.47 -46.64 19.2 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 117.102 -3.499 . . . . 0.0 110.975 170.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.554 1.124 1 O-C-N 115.976 -4.202 . . . . 0.0 117.755 167.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -43.85 78.39 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.375 170.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.04 89.59 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.46 -28.06 19.7 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 116.168 -1.872 . . . . 0.0 111.428 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 mt -82.43 -28.67 31.2 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 122.476 2.398 . . . . 0.0 111.416 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.63 -38.75 60.84 Favored 'General case' 0 N--CA 1.516 2.838 0 CA-C-O 126.103 2.859 . . . . 0.0 116.033 163.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -34.24 20.93 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 111.326 -2.67 . . . . 0.0 109.414 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.53 -49.64 70.48 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 116.891 -1.528 . . . . 0.0 108.044 173.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.291 52.1 m-20 -47.67 -31.89 5.11 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.942 2.497 . . . . 0.0 117.424 166.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -45.77 14.45 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 117.581 -3.199 . . . . 0.0 110.141 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -24.31 64.71 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.286 54.2 tp -70.61 -44.0 68.16 Favored 'General case' 0 N--CA 1.428 -1.57 0 C-N-CA 123.895 0.878 . . . . 0.0 111.158 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -65.2 -38.08 89.34 Favored 'General case' 0 C--O 1.193 -1.875 0 C-N-CA 125.146 1.378 . . . . 0.0 111.292 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.252 62.1 p . . . . . 0 C--O 1.269 2.124 0 C-N-CA 116.668 -2.013 . . . . 0.0 112.955 170.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.278 27.6 t30 . . . . . 0 CA--C 1.473 -2.004 0 CA-C-O 122.46 1.124 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 p -76.96 -34.58 57.57 Favored 'General case' 0 C--O 1.174 -2.92 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.627 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.31 25.1 t80 -47.3 -45.81 24.52 Favored 'General case' 0 N--CA 1.41 -2.437 0 C-N-CA 127.422 2.289 . . . . 0.0 115.379 158.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.2 ttp -64.21 -48.83 74.34 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 120.219 -1.55 . . . . 0.0 110.861 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.313 65.2 m-85 -51.27 -20.89 1.82 Allowed 'General case' 0 CA--C 1.566 1.583 0 O-C-N 118.314 -2.741 . . . . 0.0 118.018 164.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.283 1.2 mp -78.61 -38.77 22.43 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.942 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.74 -33.99 73.21 Favored 'General case' 0 CA--C 1.556 1.199 0 O-C-N 120.861 -1.149 . . . . 0.0 110.935 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -68.57 -18.2 64.29 Favored 'General case' 0 N--CA 1.411 -2.414 0 O-C-N 116.781 -3.7 . . . . 0.0 117.399 162.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.31 -31.69 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 126.329 1.852 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 35.4 ttm -57.37 -45.96 83.87 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 130.071 3.348 . . . . 0.0 109.009 161.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.01 -36.93 84.62 Favored 'General case' 0 C--O 1.172 -2.986 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.5 tp -66.27 -28.77 68.97 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 118.077 -2.89 . . . . 0.0 113.135 167.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.82 -53.24 60.13 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 116.239 -1.839 . . . . 0.0 108.548 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.21 70.99 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 123.524 2.874 . . . . 0.0 113.525 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -75.48 -34.35 29.57 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 C-N-CA 126.866 2.066 . . . . 0.0 112.273 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 53.6 m -74.04 -24.8 59.59 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 117.173 -3.455 . . . . 0.0 111.744 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.5 -41.71 93.64 Favored 'Isoleucine or valine' 0 C--O 1.259 1.591 0 CA-C-N 124.053 3.115 . . . . 0.0 107.291 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.76 -35.09 26.05 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 120.359 -1.463 . . . . 0.0 114.107 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 43.2 m -54.47 -37.94 65.83 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 155.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.255 17.4 mt -69.41 -44.23 71.83 Favored 'General case' 0 N--CA 1.512 2.627 0 O-C-N 119.32 -2.113 . . . . 0.0 109.433 -176.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.53 -57.6 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.079 0 O-C-N 118.96 -2.337 . . . . 0.0 116.346 165.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.55 -24.27 65.51 Favored 'General case' 0 CA--C 1.606 3.131 0 O-C-N 119.292 -2.13 . . . . 0.0 115.016 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.483 0 O-C-N 120.982 -1.074 . . . . 0.0 113.054 161.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -45.53 -50.03 13.28 Favored 'General case' 0 CA--C 1.563 1.478 0 O-C-N 127.423 2.952 . . . . 0.0 113.1 161.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -24.65 61.76 Favored 'General case' 0 N--CA 1.515 2.779 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.353 26.7 t-105 -52.63 -54.65 30.27 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.479 -1.288 . . . . 0.0 113.889 158.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -63.78 -25.05 68.01 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.503 -1.373 . . . . 0.0 112.113 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.367 7.9 tp10 -66.92 -30.66 70.87 Favored 'General case' 0 C--O 1.182 -2.459 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 168.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -72.18 -44.87 62.35 Favored 'General case' 0 N--CA 1.526 3.357 0 CA-C-N 109.464 -3.516 . . . . 0.0 108.667 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 mt -69.45 -14.32 62.82 Favored 'General case' 0 C--O 1.188 -2.152 0 CA-C-O 115.403 -2.236 . . . . 0.0 114.459 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -82.48 -35.41 27.46 Favored 'General case' 0 C--O 1.187 -2.197 0 O-C-N 124.983 1.427 . . . . 0.0 113.638 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.7 94.18 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 120.042 -1.661 . . . . 0.0 113.766 170.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.384 0.3 OUTLIER -65.25 -42.27 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.68 -50.09 55.66 Favored 'General case' 0 N--CA 1.387 -3.617 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.68 -38.75 88.96 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 112.294 -2.23 . . . . 0.0 111.532 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.72 65.14 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 126.632 2.458 . . . . 0.0 114.616 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.83 -36.75 82.07 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 118.808 -1.157 . . . . 0.0 113.928 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.73 -43.84 75.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 125.045 1.338 . . . . 0.0 111.026 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.6 84.18 Favored 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.936 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -51.78 -32.14 29.87 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.949 2.656 . . . . 0.0 114.607 162.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.9 tp -81.61 -42.38 20.13 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 121.742 2.065 . . . . 0.0 111.315 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -62.24 -13.79 31.63 Favored 'General case' 0 N--CA 1.535 3.813 0 O-C-N 121.146 -0.971 . . . . 0.0 111.935 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 CA--C 1.567 1.606 0 O-C-N 120.558 -1.339 . . . . 0.0 110.905 162.681 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 N--CA 1.504 2.234 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -74.14 -28.62 61.41 Favored 'General case' 0 CA--C 1.464 -2.351 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.397 25.1 m-85 -69.52 -27.83 65.52 Favored 'General case' 0 C--O 1.176 -2.8 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 161.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mmm -71.63 -38.55 70.75 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.449 -2.215 . . . . 0.0 112.534 162.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.9 -27.8 53.73 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 122.583 2.447 . . . . 0.0 116.844 160.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -73.69 -25.35 20.63 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.209 0 CA-C-O 117.532 -1.223 . . . . 0.0 112.508 173.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.3 -43.9 96.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 120.647 1.567 . . . . 0.0 109.834 163.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.267 36.3 t80 -63.82 -22.12 66.76 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 127.313 2.883 . . . . 0.0 112.944 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.395 0.4 OUTLIER -94.17 -18.56 6.85 Favored 'Isoleucine or valine' 0 C--N 1.372 1.545 0 O-C-N 117.647 -3.158 . . . . 0.0 116.454 178.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.282 19.5 mtm -66.36 -43.73 85.17 Favored 'General case' 0 CA--C 1.602 2.96 0 O-C-N 120.117 -1.615 . . . . 0.0 111.254 154.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.15 -49.94 75.95 Favored 'General case' 0 CA--C 1.592 2.561 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.81 -38.4 81.85 Favored 'General case' 0 C--N 1.409 3.195 0 O-C-N 118.352 -2.717 . . . . 0.0 111.785 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.327 63.3 t80 -47.73 -51.91 20.43 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 117.613 2.449 . . . . 0.0 117.613 172.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.17 75.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 125.548 1.78 . . . . 0.0 112.203 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.01 -37.79 77.6 Favored 'Isoleucine or valine' 0 C--N 1.387 2.233 0 C-N-CA 127.406 2.282 . . . . 0.0 112.465 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -73.61 -15.47 61.27 Favored 'General case' 0 CA--C 1.485 -1.544 0 N-CA-C 121.305 3.817 . . . . 0.0 121.305 164.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.36 -49.93 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 164.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.74 -32.46 36.98 Favored Glycine 0 CA--C 1.488 -1.609 0 CA-C-N 119.735 1.152 . . . . 0.0 110.38 -168.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 t -61.39 -31.25 71.16 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 167.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.86 -52.5 42.79 Favored 'General case' 0 C--N 1.386 2.154 0 O-C-N 119.026 -2.296 . . . . 0.0 110.362 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.9 mt -56.79 -49.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 CA-C-O 121.697 0.761 . . . . 0.0 111.75 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.8 -38.57 64.66 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 161.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.901 0 CA-C-O 118.719 -1.045 . . . . 0.0 115.508 177.211 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.274 2.365 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -33.32 75.67 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 115.582 -2.151 . . . . 0.0 113.01 168.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 m -78.42 -32.44 48.64 Favored 'General case' 0 C--O 1.191 -2.013 0 CA-C-O 125.464 2.554 . . . . 0.0 114.543 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -61.97 -48.8 78.74 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-O 113.206 -3.283 . . . . 0.0 110.963 156.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.317 34.5 t80 -56.32 -51.4 68.38 Favored 'General case' 0 C--N 1.306 -1.315 1 CA-C-N 128.786 5.266 . . . . 0.0 115.166 174.947 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -62.1 -25.94 68.01 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.754 2.534 . . . . 0.0 116.339 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -82.68 -35.85 26.46 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 119.371 -2.081 . . . . 0.0 111.799 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.75 -33.39 74.75 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 165.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.529 ' ND1' ' HE2' ' A' ' 19' ' ' LYS . 57.4 t-80 -61.81 -51.16 69.39 Favored 'General case' 0 N--CA 1.535 3.81 0 CA-C-O 115.848 -2.025 . . . . 0.0 108.514 162.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.75 6.42 Favored 'General case' 0 N--CA 1.519 2.987 0 CA-C-N 122.184 2.266 . . . . 0.0 112.677 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.322 0.3 OUTLIER -57.63 -36.45 54.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -178.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.61 -31.91 62.17 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.493 -2.004 . . . . 0.0 114.682 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HE2' ' ND1' ' A' ' 15' ' ' HIS . 18.3 mtmt -63.18 -32.71 74.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 127.543 3.027 . . . . 0.0 114.427 166.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.25 66.78 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.791 1.307 . . . . 0.0 111.732 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.0 -47.91 78.46 Favored 'General case' 0 CA--C 1.592 2.582 0 O-C-N 119.364 -2.085 . . . . 0.0 108.74 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -60.7 -27.81 68.17 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-O 123.524 1.63 . . . . 0.0 111.009 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.85 -29.95 13.93 Favored 'General case' 0 CA--C 1.595 2.692 1 O-C-N 115.784 -4.322 . . . . 0.0 109.931 -167.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.25 1.1 t -63.3 -33.9 76.51 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 124.521 2.105 . . . . 0.0 110.89 161.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.51 -37.46 68.36 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 118.84 -2.413 . . . . 0.0 114.762 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -64.42 -46.83 81.55 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 113.85 -2.976 . . . . 0.0 112.003 161.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.435 -1.185 0 CA-C-N 122.975 2.625 . . . . 0.0 116.394 168.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.7 p -52.21 -41.73 62.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.293 1.437 . . . . 0.0 109.544 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.42 -29.28 64.71 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 117.729 -3.107 . . . . 0.0 116.812 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.8 tpt -67.41 -46.81 72.1 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.422 1.701 . . . . 0.0 108.421 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.89 -33.63 57.11 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.039 0.936 . . . . 0.0 108.769 172.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.55 -38.08 72.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.977 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -50.88 -43.76 59.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.723 -1.861 . . . . 0.0 107.797 167.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.257 0.7 OUTLIER -68.93 -23.23 64.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 118.673 -2.517 . . . . 0.0 116.305 169.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -26.02 14.02 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.378 0 O-C-N 127.544 3.028 . . . . 0.0 115.23 175.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttp -65.86 -47.04 76.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.787 -1.195 . . . . 0.0 111.361 162.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.37 6.5 t80 -51.27 -56.66 11.81 Favored 'General case' 0 N--CA 1.533 3.712 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 164.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.36 -37.25 55.71 Favored 'General case' 0 N--CA 1.508 2.451 0 C-N-CA 125.97 1.708 . . . . 0.0 107.719 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.284 17.5 t80 -57.71 -38.76 75.82 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -28.49 65.25 Favored 'General case' 0 N--CA 1.515 2.794 0 C-N-CA 116.284 -2.166 . . . . 0.0 114.227 170.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.43 -36.2 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 124.875 1.359 . . . . 0.0 112.955 171.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.7 m -68.2 -28.34 67.17 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.808 1.318 . . . . 0.0 113.901 170.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.22 -45.43 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.247 0 O-C-N 118.392 -2.692 . . . . 0.0 111.327 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.82 -60.0 9.39 Favored Glycine 0 C--O 1.198 -2.107 0 CA-C-O 117.61 -1.661 . . . . 0.0 114.34 166.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . 0.364 6.1 m -46.09 -34.79 4.42 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 126.016 1.726 . . . . 0.0 112.587 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.67 -41.42 68.72 Favored 'General case' 0 CA--C 1.468 -2.197 0 O-C-N 118.584 -2.573 . . . . 0.0 113.708 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--O 1.271 2.233 0 O-C-N 120.43 -1.418 . . . . 0.0 108.801 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.39 -42.17 96.28 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.411 2.284 . . . . 0.0 112.387 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.652 0 CA-C-N 122.592 2.451 . . . . 0.0 110.193 176.419 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.342 1.2 p . . . . . 0 CA--C 1.504 -0.822 0 N-CA-C 117.344 2.349 . . . . 0.0 117.344 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.38 -25.66 68.39 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 126.502 3.049 . . . . 0.0 115.411 172.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -80.02 -35.1 37.75 Favored 'General case' 0 CA--C 1.476 -1.901 0 O-C-N 118.863 -2.398 . . . . 0.0 108.084 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -61.62 -38.84 89.11 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 117.679 -3.138 . . . . 0.0 112.897 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.307 3.1 t80 -60.21 -41.76 93.72 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-N 123.704 2.956 . . . . 0.0 113.263 172.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 -11.99 58.14 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-O 124.723 2.201 . . . . 0.0 110.523 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -79.59 -42.13 25.64 Favored 'General case' 0 C--O 1.274 2.351 0 CA-C-O 126.014 2.816 . . . . 0.0 114.626 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.87 -56.06 27.1 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 119.251 -2.156 . . . . 0.0 108.367 167.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -67.04 -19.26 65.65 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 117.517 -3.24 . . . . 0.0 116.373 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.25 . . -78.03 -48.45 16.11 Favored 'General case' 0 CA--C 1.566 1.576 0 O-C-N 127.338 2.899 . . . . 0.0 115.977 166.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.336 3.0 p -64.39 -28.65 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 117.46 2.393 . . . . 0.0 117.46 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.5 -44.84 81.48 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.595 -1.316 . . . . 0.0 110.509 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.2 -32.67 74.47 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -42.6 78.7 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 125.863 1.665 . . . . 0.0 113.17 164.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.62 -41.25 85.47 Favored 'General case' 0 N--CA 1.531 3.579 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.27 3.9 m-80 -67.58 -35.23 78.61 Favored 'General case' 0 N--CA 1.426 -1.651 1 C-N-CA 132.504 4.321 . . . . 0.0 112.173 176.112 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.53 -46.8 24.99 Favored 'General case' 0 CA--C 1.575 1.928 1 O-C-N 113.91 -5.494 . . . . 0.0 103.536 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.316 1.9 m -45.22 -41.42 8.33 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-O 122.829 1.3 . . . . 0.0 113.694 164.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.0 -41.59 25.53 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 117.341 -3.35 . . . . 0.0 107.107 -174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.4 -33.05 74.01 Favored 'General case' 0 CA--C 1.58 2.097 0 O-C-N 119.713 -1.867 . . . . 0.0 111.522 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.278 -2.535 0 C-N-CA 124.348 1.059 . . . . 0.0 110.457 173.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t30 . . . . . 0 CA--C 1.592 2.584 0 CA-C-O 114.892 -2.48 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -56.36 -45.16 80.59 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 125.232 1.582 . . . . 0.0 112.945 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.458 17.3 m-85 -66.76 -27.13 67.35 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -174.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -87.13 -36.01 18.32 Favored 'General case' 0 C--O 1.273 2.337 1 O-C-N 129.534 4.271 . . . . 0.0 108.058 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -54.24 -31.73 54.17 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 113.278 -3.249 . . . . 0.0 118.276 153.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.5 mm -72.15 -36.05 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 CA-C-N 122.967 2.621 . . . . 0.0 107.081 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.19 -39.61 78.55 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 119.116 0.871 . . . . 0.0 113.299 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.308 6.0 t80 -50.72 -25.99 4.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.032 2.533 . . . . 0.0 116.601 156.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.54 -20.25 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 120.101 -1.624 . . . . 0.0 111.239 -172.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.01 -35.88 81.7 Favored 'General case' 0 CA--C 1.601 2.908 0 O-C-N 118.507 -2.621 . . . . 0.0 112.729 153.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.286 15.9 t80 -67.34 -49.09 65.5 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 167.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.11 -25.34 66.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.754 1.909 . . . . 0.0 115.108 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.64 -53.83 50.89 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.491 -2.006 . . . . 0.0 114.915 163.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 -27.51 62.74 Favored 'General case' 0 CA--C 1.62 3.643 0 CA-C-N 124.268 3.213 . . . . 0.0 115.472 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 t -75.15 -32.98 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 171.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.561 0.2 OUTLIER -59.27 -23.47 62.41 Favored 'General case' 0 N--CA 1.439 -0.978 1 C-N-CA 133.838 4.855 . . . . 0.0 112.581 163.494 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 t -78.32 -37.28 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-O 114.495 -2.669 . . . . 0.0 114.131 166.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.25 -39.27 95.93 Favored Glycine 0 CA--C 1.572 3.644 0 CA-C-O 116.702 -2.166 . . . . 0.0 107.704 163.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 -33.73 58.26 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 120.51 2.155 . . . . 0.0 111.215 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.67 -36.26 62.79 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-O 115.168 -2.349 . . . . 0.0 108.658 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.7 mt -67.98 -38.64 80.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-N 123.514 2.87 . . . . 0.0 108.972 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.79 -37.21 78.45 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 170.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.613 0 C-N-CA 125.76 1.648 . . . . 0.0 114.499 174.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.534 3.736 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -66.28 -38.39 87.67 Favored 'General case' 0 C--O 1.297 3.555 0 CA-C-O 123.845 1.783 . . . . 0.0 107.731 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.545 0.0 OUTLIER -62.05 -45.16 94.77 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 119.961 -1.712 . . . . 0.0 114.136 167.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.66 -50.64 72.68 Favored 'General case' 0 N--CA 1.533 3.702 0 O-C-N 117.173 -3.454 . . . . 0.0 109.95 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.402 4.1 t80 -54.65 -44.48 73.28 Favored 'General case' 0 CA--C 1.463 -2.401 0 CA-C-O 114.727 -2.558 . . . . 0.0 117.222 172.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.81 -23.35 66.17 Favored 'General case' 0 CA--C 1.606 3.13 0 CA-C-N 120.34 1.427 . . . . 0.0 108.829 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -80.15 -31.88 38.93 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.395 -1.441 . . . . 0.0 111.736 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -67.0 -37.75 84.76 Favored 'General case' 0 C--N 1.407 3.066 0 O-C-N 117.819 -3.05 . . . . 0.0 114.02 165.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -57.25 -42.29 81.23 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.97 89.03 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.657 1.983 . . . . 0.0 109.473 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.85 -58.12 5.96 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.663 0 CA-C-N 124.688 3.403 . . . . 0.0 111.359 161.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.95 -25.16 67.76 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 119.044 -2.285 . . . . 0.0 111.356 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.72 -43.16 66.37 Favored 'General case' 0 N--CA 1.521 3.097 0 O-C-N 118.985 -2.322 . . . . 0.0 114.041 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.03 -63.81 0.94 Allowed 'General case' 0 C--O 1.197 -1.708 0 O-C-N 126.729 2.518 . . . . 0.0 109.791 163.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tt -46.09 -39.78 9.88 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 118.909 -2.37 . . . . 0.0 115.281 175.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.0 -24.52 61.58 Favored 'General case' 0 CA--C 1.601 2.942 0 C-N-CA 128.518 2.727 . . . . 0.0 109.752 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.97 -52.97 9.8 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 120.519 -1.363 . . . . 0.0 108.363 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -43.3 29.52 Favored 'General case' 0 C--O 1.186 -2.245 0 C-N-CA 127.376 2.27 . . . . 0.0 114.16 163.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.67 -61.64 2.18 Favored 'General case' 0 C--O 1.18 -2.583 0 O-C-N 117.99 -2.944 . . . . 0.0 114.388 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.25 -34.85 77.32 Favored 'General case' 0 CA--C 1.501 -0.912 0 O-C-N 121.562 -0.711 . . . . 0.0 111.744 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.568 1.671 0 C-N-CA 127.05 2.14 . . . . 0.0 114.774 175.176 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.632 -1.652 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.5 p -52.29 -30.03 26.06 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.428 2.381 . . . . 0.0 117.428 161.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.29 60.5 m-85 -67.86 -31.55 71.45 Favored 'General case' 0 N--CA 1.395 -3.211 1 O-C-N 116.101 -4.124 . . . . 0.0 117.046 176.549 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.345 22.0 ttp -67.74 -50.99 54.37 Favored 'General case' 0 C--N 1.319 -0.727 1 C-N-CA 134.887 5.275 . . . . 0.0 108.569 170.754 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.59 71.0 m-85 -46.08 -41.2 11.91 Favored 'General case' 0 C--O 1.167 -3.261 0 CA-C-O 123.663 1.697 . . . . 0.0 115.452 160.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.254 33.2 mt -73.39 -20.17 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.307 0 CA-C-O 116.347 -1.787 . . . . 0.0 110.992 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.24 -54.73 7.11 Favored 'General case' 0 C--O 1.201 -1.47 0 CA-C-N 120.982 1.719 . . . . 0.0 107.394 170.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.451 53.6 m-85 -54.8 -21.83 12.44 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 128.266 3.479 . . . . 0.0 117.552 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.424 0.4 OUTLIER -73.93 -41.0 53.27 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 128.367 2.667 . . . . 0.0 110.434 174.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 tpp -66.69 -33.16 75.03 Favored 'General case' 0 CA--C 1.477 -1.851 0 O-C-N 120.831 -1.168 . . . . 0.0 113.928 172.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.419 32.9 m-85 -60.59 -52.24 66.01 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 161.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tp -42.14 -45.81 4.15 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 119.678 3.214 . . . . 0.0 119.678 163.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.9 -61.26 2.05 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 160.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.7 33.22 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 121.195 1.816 . . . . 0.0 114.818 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.05 -29.85 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.802 0 C-N-CA 123.947 0.899 . . . . 0.0 111.768 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -59.8 -23.84 63.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 115.573 -2.156 . . . . 0.0 116.272 157.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.339 2.9 t -68.97 -45.03 80.94 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 CA-C-N 123.129 2.695 . . . . 0.0 111.793 170.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.94 66.25 Favored Glycine 0 N--CA 1.486 2.0 0 CA-C-N 112.039 -2.346 . . . . 0.0 110.963 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -83.71 -6.94 59.56 Favored 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.296 59.1 mt -63.03 -50.99 68.51 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 124.315 2.007 . . . . 0.0 113.691 151.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -61.43 -54.74 30.96 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.013 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.11 -19.86 65.98 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 3.171 0 CA-C-O 116.587 -2.23 . . . . 0.0 114.498 163.394 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.439 -1.021 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -62.74 -27.02 68.99 Favored 'General case' 0 CA--C 1.612 3.337 0 C-N-CA 117.6 -1.64 . . . . 0.0 110.715 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.319 3.8 p -71.41 -33.76 69.75 Favored 'General case' 1 N--CA 1.543 4.217 0 O-C-N 119.641 -1.912 . . . . 0.0 112.781 177.617 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -40.46 97.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 125.838 1.961 . . . . 0.0 113.747 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.428 34.9 m-85 -60.01 -30.8 69.39 Favored 'General case' 1 N--CA 1.539 4.015 0 O-C-N 127.954 3.284 . . . . 0.0 116.924 166.688 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -88.81 -11.71 44.05 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 173.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.5 m -82.95 -36.82 24.85 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 115.213 -2.327 . . . . 0.0 106.643 168.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.87 -34.29 74.39 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 121.125 1.784 . . . . 0.0 110.055 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.14 -40.88 97.11 Favored 'General case' 0 CA--C 1.464 -2.34 0 O-C-N 124.998 1.436 . . . . 0.0 110.517 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -28.79 68.42 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 116.601 2.074 . . . . 0.0 116.601 170.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.35 -43.36 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 125.127 1.371 . . . . 0.0 112.832 171.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.23 -30.2 70.3 Favored 'General case' 0 N--CA 1.398 -3.039 0 O-C-N 118.738 -2.476 . . . . 0.0 114.261 170.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.34 92.23 Favored 'General case' 0 CA--C 1.474 -1.972 0 O-C-N 119.162 -2.211 . . . . 0.0 115.661 169.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 -46.76 72.3 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.126 -2.306 . . . . 0.0 108.005 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.3 -47.1 74.72 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 120.988 1.722 . . . . 0.0 115.324 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.263 77.2 m-20 -65.59 -23.63 66.88 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 121.814 2.097 . . . . 0.0 113.073 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.59 46.94 Favored 'General case' 0 N--CA 1.538 3.93 0 C-N-CA 127.676 2.391 . . . . 0.0 116.342 166.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -57.79 -30.9 66.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 114.549 -2.644 . . . . 0.0 113.866 163.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.13 -35.93 61.66 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 128.091 3.369 . . . . 0.0 112.35 166.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.18 -25.8 62.68 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 117.478 -3.264 . . . . 0.0 113.536 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.427 -1.603 0 O-C-N 118.24 -2.788 . . . . 0.0 107.178 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 CA--C 1.566 1.571 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -52.32 -23.12 5.31 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 127.041 2.136 . . . . 0.0 110.372 163.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -80.18 -21.65 42.77 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 119.843 3.275 . . . . 0.0 119.843 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.1 ttm -74.69 -30.24 61.49 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 127.012 2.125 . . . . 0.0 109.876 162.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 36.1 t80 -57.96 -46.58 84.89 Favored 'General case' 0 N--CA 1.419 -2.004 0 C-N-CA 115.74 -2.384 . . . . 0.0 114.367 157.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.386 33.9 mm -51.01 -37.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 171.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.25 -42.54 36.81 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 119.486 -2.009 . . . . 0.0 113.753 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -60.66 -27.88 68.17 Favored 'General case' 1 C--O 1.323 4.959 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 170.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -13.57 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.0 mtm -64.89 -37.28 87.11 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-O 124.243 1.973 . . . . 0.0 108.553 152.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.321 42.3 t80 -70.2 -42.7 72.0 Favored 'General case' 0 C--O 1.271 2.191 0 C-N-CA 116.52 -2.072 . . . . 0.0 115.539 171.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.62 -27.3 66.78 Favored 'General case' 0 C--O 1.278 2.579 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.653 2.6 t80 -43.1 -60.51 1.62 Allowed 'General case' 0 CA--C 1.485 -1.552 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 159.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.6 -25.84 63.23 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.208 -1.557 . . . . 0.0 111.092 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.18 -39.13 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 C-N-CA 129.292 3.037 . . . . 0.0 105.908 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.295 12.5 m -64.36 -37.05 86.16 Favored 'General case' 0 C--O 1.172 -3.024 1 CA-C-O 111.587 -4.054 . . . . 0.0 112.54 168.56 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.251 39.6 t -52.04 -52.48 23.39 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-N 122.422 2.374 . . . . 0.0 113.236 168.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.85 -21.24 73.1 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-O 114.462 -3.41 . . . . 0.0 113.429 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 m -72.57 -40.2 66.8 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 129.106 2.963 . . . . 0.0 107.542 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.277 47.9 tp -65.59 -33.54 76.14 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 124.453 2.073 . . . . 0.0 116.24 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.37 -48.02 82.21 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 118.646 -2.534 . . . . 0.0 106.91 168.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.37 -24.1 67.15 Favored 'General case' 0 N--CA 1.524 3.228 0 O-C-N 116.961 -3.587 . . . . 0.0 109.389 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.402 -3.597 0 C-N-CA 127.826 2.632 . . . . 0.0 108.937 176.261 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.567 1.623 0 CA-C-O 115.876 -2.011 . . . . 0.0 112.609 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -65.09 -26.76 68.36 Favored 'General case' 0 CA--C 1.579 2.061 0 C-N-CA 127.515 2.326 . . . . 0.0 111.444 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 p -73.22 -42.95 62.04 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 118.778 -2.451 . . . . 0.0 111.208 169.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.317 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.458 15.1 t80 -47.08 -36.27 7.98 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 122.616 2.462 . . . . 0.0 116.868 165.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -71.97 -28.27 63.32 Favored 'General case' 0 N--CA 1.538 3.95 0 O-C-N 120.699 -1.251 . . . . 0.0 112.576 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 p -82.72 -39.25 22.18 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 119.203 -2.186 . . . . 0.0 109.463 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.64 -25.82 60.71 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.682 -1.261 . . . . 0.0 113.596 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.291 10.6 m-70 -91.25 -35.01 14.74 Favored 'General case' 0 N--CA 1.53 3.568 0 O-C-N 119.586 -1.946 . . . . 0.0 110.579 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.76 -47.9 59.39 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 159.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -33.66 64.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 O-C-N 124.15 0.906 . . . . 0.0 113.2 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.07 -41.97 97.14 Favored 'General case' 0 CA--C 1.575 1.914 0 O-C-N 118.958 -2.339 . . . . 0.0 110.027 172.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -71.17 -29.71 65.54 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.024 -1.047 . . . . 0.0 112.976 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.11 46.66 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.28 -53.13 21.32 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.604 165.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.252 98.0 m-20 -60.76 -21.43 63.01 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 174.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.68 18.22 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.325 0.8 OUTLIER -104.05 -15.61 15.53 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 120.354 3.464 . . . . 0.0 120.354 166.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.94 -25.52 67.65 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 123.724 1.726 . . . . 0.0 111.777 168.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -121.54 32.3 5.95 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 130.427 3.491 . . . . 0.0 114.465 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.253 1.241 0 O-C-N 116.35 -3.968 . . . . 0.0 117.749 174.249 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.269 25.5 t-20 . . . . . 0 C--O 1.175 -2.856 0 CA-C-O 127.055 3.312 . . . . 0.0 114.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 m -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.299 -1.626 1 O-C-N 115.634 -4.416 . . . . 0.0 109.352 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.272 65.8 t80 -64.71 -34.66 78.83 Favored 'General case' 0 C--O 1.186 -2.275 0 CA-C-N 119.294 0.952 . . . . 0.0 111.621 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 tpp -71.6 -38.83 70.82 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 125.649 2.643 . . . . 0.0 109.084 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.281 54.4 m-85 -54.75 -39.44 68.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 118.401 -2.687 . . . . 0.0 110.426 160.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -70.9 -27.61 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 2 O-C-N 114.601 -5.062 . . . . 0.0 114.351 173.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.03 -37.85 88.96 Favored 'General case' 0 CA--C 1.592 2.567 0 CA-C-O 125.108 2.385 . . . . 0.0 113.698 166.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.294 65.7 m-85 -59.84 -28.98 67.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.778 -1.826 . . . . 0.0 115.112 160.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.6 -38.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 116.705 -3.747 . . . . 0.0 107.774 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.05 -45.84 83.69 Favored 'General case' 0 C--N 1.4 2.765 0 O-C-N 119.647 -1.908 . . . . 0.0 110.102 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.294 10.0 t80 -54.93 -49.86 70.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 166.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.275 60.8 tp -74.59 -19.88 60.14 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-O 114.884 -2.484 . . . . 0.0 106.652 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.276 36.9 t80 -55.13 -48.72 73.27 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 125.618 1.824 . . . . 0.0 115.682 162.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.87 -50.27 46.31 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 123.367 1.556 . . . . 0.0 113.524 173.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.89 -43.8 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.659 2.171 . . . . 0.0 111.333 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -57.94 -33.56 68.94 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 114.664 -2.589 . . . . 0.0 110.311 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.19 -51.84 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 CA-C-N 125.599 3.818 . . . . 0.0 109.581 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.9 3.14 Favored Glycine 0 N--CA 1.515 3.959 0 O-C-N 126.839 2.587 . . . . 0.0 116.616 162.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.8 m -73.88 -22.8 59.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -168.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.1 tp -78.67 -27.78 45.24 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 120.702 -1.249 . . . . 0.0 114.34 166.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.13 -54.88 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 171.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.84 -23.06 62.26 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.18 -3.256 0 C-N-CA 127.569 2.509 . . . . 0.0 113.921 164.819 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.376 0.8 OUTLIER . . . . . 0 C--O 1.274 2.376 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 5.3 tm-20 -69.18 -42.53 75.73 Favored 'General case' 0 C--O 1.272 2.248 0 O-C-N 117.284 -3.385 . . . . 0.0 109.74 172.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.311 0.5 OUTLIER -60.01 -40.73 90.28 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 172.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -51.34 -46.3 62.6 Favored 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.07 -2.894 . . . . 0.0 116.456 159.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.261 13.9 t80 -59.94 -44.76 94.18 Favored 'General case' 0 C--N 1.393 2.468 0 O-C-N 125.381 1.676 . . . . 0.0 114.741 172.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.2 -34.09 70.54 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 120.468 -1.395 . . . . 0.0 109.093 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -66.12 -42.09 89.62 Favored 'General case' 0 N--CA 1.425 -1.688 0 O-C-N 120.348 -1.47 . . . . 0.0 114.605 168.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.75 -29.71 63.55 Favored 'General case' 0 C--O 1.174 -2.882 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -57.95 -56.64 19.34 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 127.705 2.402 . . . . 0.0 110.976 165.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.6 90.92 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 126.639 1.976 . . . . 0.0 109.409 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.328 1.3 p -70.96 -20.0 21.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 123.928 3.058 . . . . 0.0 114.807 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.85 -39.19 18.58 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 122.095 2.225 . . . . 0.0 115.762 169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -53.43 -46.77 69.95 Favored 'General case' 0 N--CA 1.531 3.579 0 O-C-N 119.725 -1.859 . . . . 0.0 107.356 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.12 72.98 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.183 1.793 . . . . 0.0 114.441 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.68 -55.56 21.76 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.576 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -61.58 -30.79 70.9 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -31.47 63.06 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.426 2.2 m -52.03 -42.28 62.94 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 128.312 2.645 . . . . 0.0 112.037 155.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.87 -40.59 79.18 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 125.366 2.507 . . . . 0.0 112.37 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.97 -49.06 74.02 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.219 -3.426 . . . . 0.0 109.771 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.191 -2.0 0 O-C-N 124.985 1.428 . . . . 0.0 110.775 -177.452 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 . . . . . 0 C--O 1.165 -3.393 0 CA-C-O 115.93 -1.986 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m -69.24 -41.44 76.97 Favored 'General case' 0 C--O 1.203 -1.366 0 C-N-CA 129.326 3.05 . . . . 0.0 108.265 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.92 -35.31 80.75 Favored 'General case' 0 N--CA 1.52 3.069 0 O-C-N 120.668 -1.27 . . . . 0.0 112.051 169.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.6 ttp -70.56 -35.74 73.24 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 128.61 2.764 . . . . 0.0 109.292 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 3.9 m-85 -73.37 -17.0 61.33 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 172.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.9 mt -82.5 -25.31 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 125.904 2.003 . . . . 0.0 115.574 169.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.11 -51.15 67.69 Favored 'General case' 0 C--O 1.185 -2.331 0 CA-C-O 123.748 1.737 . . . . 0.0 108.972 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.552 24.8 t80 -52.96 -26.75 16.13 Favored 'General case' 0 C--O 1.282 2.767 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 160.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.471 0.3 OUTLIER -77.48 -31.9 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.921 0 N-CA-C 119.779 3.252 . . . . 0.0 119.779 164.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.7 -24.85 63.64 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 125.496 2.57 . . . . 0.0 111.435 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.345 72.6 t80 -61.69 -71.73 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 162.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.86 -32.94 2.87 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 125.189 2.423 . . . . 0.0 116.121 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.36 -57.77 10.85 Favored 'General case' 0 CA--C 1.603 2.994 0 CA-C-N 112.645 -2.07 . . . . 0.0 115.411 169.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.96 64.8 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 120.325 1.42 . . . . 0.0 114.25 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.84 -37.27 54.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-O 116.307 -1.806 . . . . 0.0 106.503 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 1.7 m -79.17 -14.3 59.18 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.4 t -72.96 -32.37 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 125.071 1.482 . . . . 0.0 108.289 162.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.72 -42.88 37.71 Favored Glycine 0 CA--C 1.573 3.685 1 O-C-N 115.896 -4.253 . . . . 0.0 108.737 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 20.0 m -64.85 -27.56 68.95 Favored 'General case' 0 CA--C 1.487 -1.476 1 CA-C-N 107.463 -4.368 . . . . 0.0 109.636 -176.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.16 -43.17 92.66 Favored 'General case' 0 C--N 1.391 2.39 0 O-C-N 120.989 -1.069 . . . . 0.0 111.955 166.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.284 27.4 mt -61.08 -51.4 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.685 0 CA-C-O 115.461 -2.209 . . . . 0.0 109.811 171.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.58 -26.46 67.12 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 123.68 1.705 . . . . 0.0 113.554 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-N 113.359 -1.746 . . . . 0.0 115.594 169.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.428 -1.533 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -49.54 -49.3 46.7 Favored 'General case' 0 CA--C 1.614 3.439 0 CA-C-O 124.85 2.262 . . . . 0.0 110.145 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.1 OUTLIER -57.08 -21.53 32.48 Favored 'General case' 0 N--CA 1.512 2.673 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 173.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -83.76 -47.57 11.02 Favored 'General case' 0 C--O 1.191 -2.022 0 C-N-CA 128.36 2.664 . . . . 0.0 109.54 165.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -58.71 -28.1 65.5 Favored 'General case' 0 C--N 1.388 2.256 0 O-C-N 118.073 -2.892 . . . . 0.0 111.363 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -65.26 -26.72 68.22 Favored 'General case' 0 C--O 1.267 2.012 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 163.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 t -76.08 -48.14 21.92 Favored 'General case' 0 C--O 1.262 1.758 0 CA-C-O 115.829 -2.034 . . . . 0.0 111.614 166.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.78 -38.75 16.32 Favored 'General case' 0 C--N 1.391 2.388 0 O-C-N 126.217 2.198 . . . . 0.0 111.321 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -66.74 -43.95 82.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.468 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -54.28 28.72 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 124.443 1.097 . . . . 0.0 110.316 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.6 t -47.29 -39.06 5.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 115.955 -1.974 . . . . 0.0 114.784 167.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.33 -30.46 48.18 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.805 2.093 . . . . 0.0 114.961 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -72.82 -28.78 62.76 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 120.414 1.461 . . . . 0.0 113.972 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.99 76.83 Favored 'General case' 0 N--CA 1.517 2.923 0 C-N-CA 129.413 3.085 . . . . 0.0 110.926 162.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.35 -33.25 64.99 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.546 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.17 -24.43 37.55 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 122.078 2.217 . . . . 0.0 107.908 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -61.78 1.84 Allowed 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 118.849 2.907 . . . . 0.0 118.849 158.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.409 0.2 OUTLIER -35.68 -28.79 0.01 OUTLIER 'General case' 0 C--O 1.261 1.707 1 N-CA-C 123.608 4.669 . . . . 0.0 123.608 157.624 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.274 34.3 mt -87.85 -51.53 5.79 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 114.315 -2.755 . . . . 0.0 115.131 170.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.13 -26.65 67.54 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.655 -1.64 . . . . 0.0 111.433 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.244 -3.987 0 CA-C-N 121.914 2.143 . . . . 0.0 115.739 167.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 . . . . . 0 CA--C 1.581 2.153 0 CA-C-O 125.065 2.364 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 p -75.86 -38.69 57.69 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 126.386 1.875 . . . . 0.0 112.262 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -62.0 -27.19 68.69 Favored 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 163.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.21 -39.09 86.26 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 125.774 1.922 . . . . 0.0 111.914 169.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.12 -24.28 66.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 114.824 -2.513 . . . . 0.0 116.158 158.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.99 -33.43 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-N 122.939 2.609 . . . . 0.0 108.696 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.0 -44.53 72.64 Favored 'General case' 0 CA--C 1.488 -1.422 0 O-C-N 125.629 1.831 . . . . 0.0 113.52 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.05 -20.34 57.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 117.701 2.482 . . . . 0.0 117.701 163.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.99 -24.84 5.32 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 113.722 -3.037 . . . . 0.0 105.955 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.252 53.0 mtt -70.74 -27.74 64.18 Favored 'General case' 0 N--CA 1.526 3.358 1 CA-C-N 126.662 4.301 . . . . 0.0 113.068 160.44 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -64.96 -52.44 56.29 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 119.527 -1.983 . . . . 0.0 115.489 160.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.88 -27.32 68.78 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 127.705 2.402 . . . . 0.0 109.076 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.503 5.9 t80 -54.88 -51.95 64.36 Favored 'General case' 0 C--N 1.4 2.761 1 O-C-N 113.388 -5.82 . . . . 0.0 119.715 162.29 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.34 71.84 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 168.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 C--O 1.28 2.699 0 C-N-CA 127.806 2.442 . . . . 0.0 111.285 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.6 m -69.58 -23.42 63.54 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 116.93 -3.606 . . . . 0.0 115.04 162.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.254 54.9 t -63.54 -42.24 95.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-O 125.088 2.375 . . . . 0.0 111.433 164.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.75 -44.29 95.03 Favored Glycine 0 N--CA 1.407 -3.28 1 O-C-N 115.342 -4.599 . . . . 0.0 110.876 174.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 m -70.74 -18.56 62.78 Favored 'General case' 0 CA--C 1.464 -2.347 0 O-C-N 125.684 1.461 . . . . 0.0 111.576 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.74 -46.8 14.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 122.661 2.482 . . . . 0.0 106.907 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 mt -54.46 -51.2 51.86 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.307 0 O-C-N 117.566 -3.209 . . . . 0.0 113.758 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.68 -20.72 65.94 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 118.671 -2.518 . . . . 0.0 110.273 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.838 0 CA-C-O 118.791 -1.005 . . . . 0.0 115.002 159.703 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 CA--C 1.483 -1.633 0 CA-C-O 116.085 -1.912 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.28 163.97 27.33 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 124.451 1.095 . . . . 0.0 111.901 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 t -67.28 169.17 9.21 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 127.601 2.36 . . . . 0.0 112.757 164.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.2 p -77.15 150.03 35.58 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.614 1.197 . . . . 0.0 110.419 -164.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -65.42 56.34 0.03 OUTLIER 'General case' 0 N--CA 1.528 3.468 0 C-N-CA 125.485 1.514 . . . . 0.0 109.081 154.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.91 -6.06 0.03 OUTLIER Glycine 0 C--O 1.277 2.788 0 O-C-N 118.416 -2.677 . . . . 0.0 118.515 -161.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -69.16 158.01 35.74 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 116.926 -3.691 . . . . 0.0 115.622 169.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.97 -36.33 84.05 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.074 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -74.64 -30.3 61.57 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 123.635 2.925 . . . . 0.0 115.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -60.87 -47.66 85.34 Favored 'General case' 0 C--O 1.185 -2.327 0 C-N-CA 127.236 2.214 . . . . 0.0 111.686 172.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.48 -37.99 79.65 Favored 'General case' 0 C--N 1.382 2.019 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.86 -24.25 64.33 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 118.601 2.815 . . . . 0.0 118.601 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -86.97 -36.04 18.51 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 116.088 -1.91 . . . . 0.0 108.227 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -37.31 87.13 Favored 'General case' 0 N--CA 1.529 3.497 0 O-C-N 126.798 2.562 . . . . 0.0 108.783 163.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -66.99 -39.08 87.05 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 120.817 1.644 . . . . 0.0 108.998 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.57 95.51 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 116.765 -3.709 . . . . 0.0 112.341 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.7 -36.64 76.22 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.202 0 C-N-CA 125.665 1.586 . . . . 0.0 110.952 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.38 -41.35 80.67 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 126.696 1.998 . . . . 0.0 114.485 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -64.76 -46.8 80.63 Favored 'General case' 1 N--CA 1.581 6.124 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.953 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.85 76.13 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 166.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 tp -65.49 -39.14 91.54 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 119.533 1.061 . . . . 0.0 108.559 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -65.68 -30.53 71.23 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 118.127 -2.858 . . . . 0.0 115.768 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.06 67.35 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 130.412 3.485 . . . . 0.0 116.208 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.279 53.0 m -64.02 -41.26 97.49 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.28 -61.15 1.91 Allowed 'General case' 0 N--CA 1.473 0.724 0 O-C-N 116.342 -3.974 . . . . 0.0 112.77 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -52.19 -50.25 62.26 Favored 'General case' 0 C--N 1.292 -1.923 1 CA-C-N 127.444 4.656 . . . . 0.0 112.551 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.322 55.5 p -56.23 -34.69 66.57 Favored 'General case' 0 CA--C 1.57 1.722 0 O-C-N 117.93 -2.981 . . . . 0.0 115.957 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -72.68 -54.47 8.91 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 124.24 1.016 . . . . 0.0 111.878 168.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -25.82 46.64 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 127.371 2.268 . . . . 0.0 116.4 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.5 -8.92 57.98 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 118.422 -2.674 . . . . 0.0 115.576 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . 0.451 97.2 m 61.92 44.22 8.53 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 166.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 137.02 96.98 Favored Pre-proline 0 CA--C 1.485 -1.544 0 O-C-N 119.468 -2.02 . . . . 0.0 107.675 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -64.44 142.98 80.85 Favored 'Trans proline' 0 N--CA 1.507 2.283 0 O-C-N 124.542 1.812 . . . . 0.0 111.544 171.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.88 164.85 46.91 Favored Glycine 0 CA--C 1.552 2.356 0 O-C-N 119.193 -2.192 . . . . 0.0 113.812 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.46 140.45 82.03 Favored 'Trans proline' 0 CA--C 1.509 -0.734 0 N-CA-C 121.836 3.744 . . . . 0.0 121.836 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.11 40.36 8.04 Favored Glycine 0 CA--C 1.559 2.828 0 CA-C-N 114.38 -1.282 . . . . 0.0 113.961 -168.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.7 tp -78.71 -37.56 41.22 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.243 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.22 175.64 32.24 Favored Glycine 0 C--N 1.364 2.104 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 161.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -60.63 133.43 48.42 Favored 'Trans proline' 0 C--N 1.292 -2.414 0 C-N-CA 121.959 1.773 . . . . 0.0 111.436 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.364 16.0 p30 -68.35 -29.28 67.98 Favored 'General case' 0 N--CA 1.532 3.655 0 O-C-N 118.739 -2.476 . . . . 0.0 114.777 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -70.96 7.86 1.07 Allowed 'General case' 0 CA--C 1.584 2.28 0 CA-C-O 115.306 -2.283 . . . . 0.0 116.12 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.66 88.07 0.23 Allowed 'General case' 0 C--N 1.38 1.911 0 CA-C-N 124.748 3.431 . . . . 0.0 117.653 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -64.21 151.17 44.23 Favored 'General case' 0 N--CA 1.522 3.164 0 O-C-N 119.542 -1.974 . . . . 0.0 111.846 -167.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -34.17 140.55 0.06 Allowed 'General case' 0 N--CA 1.527 3.423 0 O-C-N 116.836 -3.665 . . . . 0.0 114.346 153.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -124.1 178.41 5.33 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 170.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.292 46.8 ttt-85 -102.19 172.05 7.12 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 128.289 2.636 . . . . 0.0 110.029 167.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -63.56 162.8 12.21 Favored 'General case' 0 C--N 1.402 2.87 0 O-C-N 117.199 -3.438 . . . . 0.0 115.385 160.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.7 142.6 0.83 Allowed 'General case' 0 CA--C 1.592 2.596 0 C-N-CA 126.792 2.037 . . . . 0.0 113.896 154.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 t -148.18 76.33 1.37 Allowed 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 126.819 2.047 . . . . 0.0 109.114 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.89 151.58 93.05 Favored Pre-proline 0 N--CA 1.513 2.702 0 C-N-CA 129.257 3.023 . . . . 0.0 112.02 -164.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . 0.318 72.1 Cg_exo -43.53 144.83 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.407 0 N-CA-C 119.492 2.843 . . . . 0.0 119.492 -171.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.1 177.5 26.4 Favored Glycine 0 C--N 1.367 2.292 0 CA-C-O 125.566 2.759 . . . . 0.0 112.205 168.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -67.07 140.28 57.62 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 112.125 -2.037 . . . . 0.0 112.847 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.19 178.42 7.57 Favored 'General case' 0 C--O 1.186 -2.252 1 C-N-CA 131.748 4.019 . . . . 0.0 104.629 172.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -50.0 -52.63 32.38 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 129.582 3.153 . . . . 0.0 111.954 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.0 -36.06 79.36 Favored 'General case' 0 C--O 1.203 -1.387 0 O-C-N 126.438 2.336 . . . . 0.0 112.169 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.5 p -80.95 -22.69 39.39 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 117.441 2.385 . . . . 0.0 117.441 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.275 29.6 t80 -57.08 -40.44 76.92 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 130.788 3.635 . . . . 0.0 120.801 148.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 75.3 mtm -82.65 -34.58 27.42 Favored 'General case' 0 CA--C 1.608 3.203 0 O-C-N 119.983 -1.698 . . . . 0.0 109.546 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -57.26 -29.39 63.79 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 117.118 -3.488 . . . . 0.0 114.707 158.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.42 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.513 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.26 -37.51 83.61 Favored 'General case' 0 CA--C 1.592 2.56 0 CA-C-O 124.243 1.973 . . . . 0.0 114.45 166.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -74.05 -20.84 60.16 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.04 -44.09 66.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 123.901 0.881 . . . . 0.0 109.155 167.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.6 ttp -56.44 -33.84 66.25 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 118.803 -2.436 . . . . 0.0 113.356 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.279 19.6 t80 -66.88 -52.12 47.3 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 116.445 -3.909 . . . . 0.0 116.879 167.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.53 -28.86 70.14 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 114.361 -2.733 . . . . 0.0 105.578 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.369 6.1 t80 -62.0 -48.67 79.3 Favored 'General case' 0 C--O 1.246 0.886 1 CA-C-N 126.349 4.159 . . . . 0.0 118.381 166.831 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.71 68.72 Favored 'General case' 0 CA--C 1.595 2.709 0 CA-C-N 122.119 2.236 . . . . 0.0 113.807 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.14 -27.99 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.829 0 O-C-N 119.509 -1.994 . . . . 0.0 110.031 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 m -62.27 -25.49 67.87 Favored 'General case' 0 C--O 1.196 -1.744 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 167.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.28 57.5 t -64.56 -40.02 87.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.063 0 O-C-N 124.5 1.125 . . . . 0.0 111.539 167.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.29 -49.63 72.62 Favored Glycine 1 CA--C 1.626 7.004 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -71.06 -23.86 62.22 Favored 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 127.686 2.394 . . . . 0.0 105.479 -170.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.94 -53.0 29.67 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 125.579 3.809 . . . . 0.0 114.717 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.317 10.2 mt -56.48 -41.92 73.86 Favored 'Isoleucine or valine' 0 C--N 1.381 1.948 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.1 tp -78.88 -31.79 45.62 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.269 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -35.51 -55.31 1.01 Allowed Glycine 0 CA--C 1.547 2.091 0 N-CA-C 117.884 1.914 . . . . 0.0 117.884 153.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.257 24.6 m-85 -59.29 -50.86 72.35 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 163.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.285 87.5 m -63.57 -36.98 85.6 Favored 'General case' 0 N--CA 1.413 -2.298 0 CA-C-O 117.479 -1.248 . . . . 0.0 114.026 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -128.28 -33.97 2.11 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 120.057 3.354 . . . . 0.0 120.057 -169.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -82.22 -40.19 22.01 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-O 114.199 -2.81 . . . . 0.0 109.894 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . 0.258 42.3 ttt85 -67.05 116.36 7.78 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 126.231 2.207 . . . . 0.0 110.3 169.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.265 30.8 mtpp -114.1 57.27 0.7 Allowed 'General case' 0 N--CA 1.539 3.989 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 176.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.15 128.26 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -73.38 147.77 44.02 Favored 'General case' 0 C--O 1.291 3.26 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -50.28 153.43 1.49 Allowed 'General case' 0 CA--C 1.598 2.806 0 CA-C-N 120.567 1.531 . . . . 0.0 114.419 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . 0.29 59.9 mtm180 -74.24 -41.8 60.73 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.855 1.662 . . . . 0.0 114.305 162.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -159.97 156.3 26.9 Favored 'General case' 0 C--O 1.192 -1.929 1 C-N-CA 131.909 4.084 . . . . 0.0 113.833 -170.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.17 142.47 97.01 Favored Pre-proline 0 N--CA 1.505 2.303 0 N-CA-C 121.793 3.997 . . . . 0.0 121.793 -174.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.4 -27.49 39.82 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 N-CA-C 118.237 2.361 . . . . 0.0 118.237 -169.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -95.25 -35.18 11.92 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 126.002 1.721 . . . . 0.0 115.341 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -61.72 -38.01 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 130.3 3.44 . . . . 0.0 107.605 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.261 13.4 p -69.94 -20.24 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 123.254 2.752 . . . . 0.0 112.579 -174.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -92.53 10.07 31.85 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.61 116.8 7.89 Favored 'Isoleucine or valine' 0 C--O 1.262 1.746 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -60.12 -29.67 68.77 Favored 'General case' 0 C--O 1.195 -1.807 0 O-C-N 125.896 1.997 . . . . 0.0 116.28 -163.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.47 21.12 1.23 Allowed 'General case' 0 C--N 1.408 3.146 1 O-C-N 114.884 -4.885 . . . . 0.0 112.283 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -150.84 161.19 43.15 Favored 'General case' 0 C--O 1.247 0.936 0 O-C-N 118.168 -2.832 . . . . 0.0 110.676 161.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.68 135.43 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.509 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 129.1 37.17 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 117.913 -2.992 . . . . 0.0 110.58 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.5 ptp -133.05 92.77 3.07 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -171.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.427 -1.595 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 171.182 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -155.49 123.24 5.67 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.666 . . . . 0.0 115.369 172.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.263 5.0 t -137.95 -21.31 1.1 Allowed 'General case' 0 C--O 1.264 1.82 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 157.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER -76.34 62.55 1.82 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.366 -168.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -90.42 149.85 22.08 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -151.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.78 25.23 68.91 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 126.287 1.899 . . . . 0.0 115.222 167.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -73.42 147.86 43.83 Favored 'General case' 0 C--N 1.398 2.688 0 N-CA-C 120.098 3.37 . . . . 0.0 120.098 -164.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.65 -28.1 69.14 Favored 'General case' 0 CA--C 1.454 -2.725 0 CA-C-N 123.863 3.029 . . . . 0.0 116.019 168.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -68.64 -26.85 65.54 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 126.776 2.03 . . . . 0.0 112.216 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -83.68 -36.64 23.6 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 117.772 -3.08 . . . . 0.0 107.915 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.312 8.9 t80 -52.84 -43.56 66.12 Favored 'General case' 0 CA--C 1.621 3.674 0 CA-C-N 122.359 2.345 . . . . 0.0 115.19 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -22.85 63.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 t -78.47 -46.64 19.2 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 117.102 -3.499 . . . . 0.0 110.975 170.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.554 1.124 1 O-C-N 115.976 -4.202 . . . . 0.0 117.755 167.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -43.85 78.39 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.375 170.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.04 89.59 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p -75.46 -28.06 19.7 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 116.168 -1.872 . . . . 0.0 111.428 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 mt -82.43 -28.67 31.2 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 122.476 2.398 . . . . 0.0 111.416 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.63 -38.75 60.84 Favored 'General case' 0 N--CA 1.516 2.838 0 CA-C-O 126.103 2.859 . . . . 0.0 116.033 163.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -34.24 20.93 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 111.326 -2.67 . . . . 0.0 109.414 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.53 -49.64 70.48 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 116.891 -1.528 . . . . 0.0 108.044 173.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.291 52.1 m-20 -47.67 -31.89 5.11 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.942 2.497 . . . . 0.0 117.424 166.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -45.77 14.45 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 117.581 -3.199 . . . . 0.0 110.141 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -24.31 64.71 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.286 54.2 tp -70.61 -44.0 68.16 Favored 'General case' 0 N--CA 1.428 -1.57 0 C-N-CA 123.895 0.878 . . . . 0.0 111.158 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -65.2 -38.08 89.34 Favored 'General case' 0 C--O 1.193 -1.875 0 C-N-CA 125.146 1.378 . . . . 0.0 111.292 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.252 62.1 p -76.45 -24.71 53.9 Favored 'General case' 0 C--O 1.269 2.124 0 C-N-CA 116.668 -2.013 . . . . 0.0 112.955 170.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -66.49 -44.51 82.43 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 127.429 2.292 . . . . 0.0 115.887 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.7 mt -62.65 -5.66 2.87 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 111.488 -2.596 . . . . 0.0 114.978 164.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -112.15 -23.58 10.35 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 118.326 2.713 . . . . 0.0 118.326 165.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.7 t -167.53 110.79 0.66 Allowed 'General case' 0 CA--C 1.467 -2.215 1 O-C-N 116.043 -4.161 . . . . 0.0 110.611 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -83.09 139.35 42.44 Favored Pre-proline 0 CA--C 1.585 2.323 0 C-N-CA 128.03 2.532 . . . . 0.0 105.341 -166.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -63.37 157.49 50.08 Favored 'Trans proline' 0 CA--C 1.567 2.159 0 C-N-CA 124.678 3.585 . . . . 0.0 119.846 -175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.14 176.94 53.83 Favored Glycine 1 N--CA 1.532 5.05 0 CA-C-N 114.268 -1.333 . . . . 0.0 113.418 163.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.41 133.96 18.24 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 C-N-CA 123.192 2.595 . . . . 0.0 114.235 167.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.32 -151.35 16.92 Favored Glycine 0 C--O 1.178 -3.357 0 O-C-N 118.03 -2.919 . . . . 0.0 117.372 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.32 136.81 38.49 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 126.506 1.923 . . . . 0.0 110.925 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.73 -173.14 19.9 Favored Glycine 0 CA--C 1.478 -2.221 1 C-N-CA 130.772 4.034 . . . . 0.0 109.765 -166.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -64.24 158.57 47.85 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 O-C-N 117.598 -1.843 . . . . 0.0 112.647 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.302 5.9 p30 -79.42 -6.71 57.46 Favored 'General case' 0 CA--C 1.497 -1.063 1 N-CA-C 123.162 4.505 . . . . 0.0 123.162 -162.215 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -70.9 -26.3 63.16 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.262 73.2 mm-40 -59.33 154.86 15.72 Favored 'General case' 0 CA--C 1.597 2.778 0 C-N-CA 124.97 1.308 . . . . 0.0 108.307 169.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.298 1.2 m -92.88 113.22 25.43 Favored 'General case' 0 C--O 1.278 2.591 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -141.1 139.64 34.03 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 127.64 3.087 . . . . 0.0 109.981 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.15 129.24 39.33 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 117.825 -3.047 . . . . 0.0 110.054 165.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 46' ' ' ARG . 70.8 mtt85 -143.26 166.2 25.38 Favored 'General case' 1 N--CA 1.54 4.037 0 C-N-CA 130.619 3.568 . . . . 0.0 114.933 -172.767 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -52.05 144.41 12.12 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 125.788 2.708 . . . . 0.0 114.633 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . 0.263 . . -73.08 -38.67 66.34 Favored 'General case' 0 CA--C 1.56 1.347 0 O-C-N 117.958 -2.964 . . . . 0.0 110.189 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -79.37 31.26 0.22 Allowed 'General case' 0 C--N 1.386 2.167 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 -172.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.79 159.0 42.36 Favored Pre-proline 0 CA--C 1.588 2.41 0 O-C-N 119.526 -1.984 . . . . 0.0 108.361 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.42 136.63 60.37 Favored 'Trans proline' 0 N--CA 1.437 -1.812 0 N-CA-C 117.42 2.046 . . . . 0.0 117.42 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.62 168.71 54.54 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.372 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . 0.466 12.2 tpp180 -45.12 -38.36 5.07 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.36 129.78 35.01 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 121.191 3.774 . . . . 0.0 121.191 -172.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.69 -24.2 66.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.278 27.6 t30 -80.29 -47.93 13.79 Favored 'General case' 0 CA--C 1.473 -2.004 0 O-C-N 125.813 1.946 . . . . 0.0 112.513 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 p -76.96 -34.58 57.57 Favored 'General case' 0 C--O 1.174 -2.92 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.627 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.31 25.1 t80 -47.3 -45.81 24.52 Favored 'General case' 0 N--CA 1.41 -2.437 0 C-N-CA 127.422 2.289 . . . . 0.0 115.379 158.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.2 ttp -64.21 -48.83 74.34 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 120.219 -1.55 . . . . 0.0 110.861 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.313 65.2 m-85 -51.27 -20.89 1.82 Allowed 'General case' 0 CA--C 1.566 1.583 0 O-C-N 118.314 -2.741 . . . . 0.0 118.018 164.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.283 1.2 mp -78.61 -38.77 22.43 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.942 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.74 -33.99 73.21 Favored 'General case' 0 CA--C 1.556 1.199 0 O-C-N 120.861 -1.149 . . . . 0.0 110.935 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -68.57 -18.2 64.29 Favored 'General case' 0 N--CA 1.411 -2.414 0 O-C-N 116.781 -3.7 . . . . 0.0 117.399 162.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.31 -31.69 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 126.329 1.852 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 35.4 ttm -57.37 -45.96 83.87 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 130.071 3.348 . . . . 0.0 109.009 161.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.01 -36.93 84.62 Favored 'General case' 0 C--O 1.172 -2.986 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.5 tp -66.27 -28.77 68.97 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 118.077 -2.89 . . . . 0.0 113.135 167.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.82 -53.24 60.13 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 116.239 -1.839 . . . . 0.0 108.548 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.21 70.99 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 123.524 2.874 . . . . 0.0 113.525 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -75.48 -34.35 29.57 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 C-N-CA 126.866 2.066 . . . . 0.0 112.273 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 53.6 m -74.04 -24.8 59.59 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 117.173 -3.455 . . . . 0.0 111.744 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.5 -41.71 93.64 Favored 'Isoleucine or valine' 0 C--O 1.259 1.591 0 CA-C-N 124.053 3.115 . . . . 0.0 107.291 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.76 -35.09 26.05 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 120.359 -1.463 . . . . 0.0 114.107 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 43.2 m -54.47 -37.94 65.83 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 155.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.255 17.4 mt -69.41 -44.23 71.83 Favored 'General case' 0 N--CA 1.512 2.627 0 O-C-N 119.32 -2.113 . . . . 0.0 109.433 -176.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.53 -57.6 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.079 0 O-C-N 118.96 -2.337 . . . . 0.0 116.346 165.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.55 -24.27 65.51 Favored 'General case' 0 CA--C 1.606 3.131 0 O-C-N 119.292 -2.13 . . . . 0.0 115.016 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.13 -45.45 95.29 Favored Glycine 0 CA--C 1.57 3.483 0 O-C-N 120.982 -1.074 . . . . 0.0 113.054 161.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.52 -30.32 66.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.273 7.4 p -84.89 -46.52 11.22 Favored 'General case' 0 CA--C 1.482 -1.664 0 O-C-N 118.488 -2.632 . . . . 0.0 114.426 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -107.44 -51.41 2.92 Favored 'General case' 0 CA--C 1.477 -1.85 1 O-C-N 115.78 -4.325 . . . . 0.0 114.724 -166.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.3 p -85.72 -44.01 12.89 Favored 'General case' 0 N--CA 1.417 -2.081 0 CA-C-N 120.327 1.422 . . . . 0.0 110.296 -166.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -70.1 -33.53 71.98 Favored 'General case' 0 C--N 1.381 1.953 0 O-C-N 118.7 -2.5 . . . . 0.0 110.636 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.88 17.47 0.17 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 130.737 3.615 . . . . 0.0 114.699 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.295 3.6 m -85.85 143.68 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 C-N-CA 127.472 2.309 . . . . 0.0 115.464 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -56.84 115.17 2.43 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.136 1.374 . . . . 0.0 111.314 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -57.75 149.18 22.73 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 119.956 -1.715 . . . . 0.0 111.808 163.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttt-85 -63.47 -43.29 97.77 Favored 'General case' 0 C--O 1.289 3.175 0 O-C-N 119.981 -1.699 . . . . 0.0 107.988 163.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -67.64 137.82 55.89 Favored 'General case' 0 N--CA 1.518 2.956 0 C-N-CA 127.713 2.405 . . . . 0.0 117.118 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.281 2.7 t70 -71.35 116.8 50.89 Favored Pre-proline 0 N--CA 1.507 2.382 0 CA-C-O 114.453 -2.689 . . . . 0.0 116.978 -170.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -65.27 -24.6 57.94 Favored 'Trans proline' 0 N--CA 1.428 -2.336 0 C-N-CA 121.736 1.624 . . . . 0.0 114.39 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.64 -39.27 90.72 Favored 'General case' 0 C--O 1.296 3.513 0 O-C-N 119.121 -2.237 . . . . 0.0 112.62 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -29.68 21.59 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-N 121.025 1.738 . . . . 0.0 113.698 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.73 -29.9 14.67 Favored 'Isoleucine or valine' 0 C--O 1.275 2.444 0 C-N-CA 118.4 -1.32 . . . . 0.0 110.022 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.31 10.4 t80 -67.21 -40.63 86.47 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.848 2.536 . . . . 0.0 117.848 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 pt -73.55 141.82 15.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.324 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -74.8 -57.13 4.11 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 118.952 2.945 . . . . 0.0 118.952 -155.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.35 49.48 1.44 Allowed 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 123.971 1.843 . . . . 0.0 112.161 166.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -69.38 166.24 19.06 Favored 'General case' 0 C--N 1.345 0.378 0 O-C-N 117.342 -3.349 . . . . 0.0 113.911 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 m -78.68 135.68 25.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 127.076 3.322 . . . . 0.0 110.517 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.4 m -68.46 173.05 5.3 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 129.727 3.211 . . . . 0.0 110.23 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.5 ptm -64.19 144.59 57.01 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 113.84 -1.527 . . . . 0.0 114.873 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 CA--C 1.595 2.699 1 CA-C-O 111.436 -4.126 . . . . 0.0 105.528 172.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 114.264 -2.779 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.75 153.76 20.03 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 126.253 2.221 . . . . 0.0 112.164 168.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.287 0.7 OUTLIER -122.15 -8.76 8.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 CA-C-O 126.374 2.988 . . . . 0.0 116.866 -176.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.297 0.2 OUTLIER -42.16 134.33 2.84 Favored 'General case' 0 N--CA 1.518 2.946 1 O-C-N 115.598 -4.439 . . . . 0.0 116.491 169.71 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -67.85 143.23 55.85 Favored 'General case' 0 CA--C 1.594 2.661 0 O-C-N 117.911 -2.993 . . . . 0.0 108.731 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.77 -166.95 23.49 Favored Glycine 1 N--CA 1.536 5.358 0 CA-C-O 124.058 1.921 . . . . 0.0 109.015 170.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 p -53.69 159.86 1.48 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 111.277 -2.461 . . . . 0.0 116.107 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -45.53 -50.03 13.28 Favored 'General case' 0 CA--C 1.563 1.478 0 O-C-N 127.423 2.952 . . . . 0.0 113.1 161.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -24.65 61.76 Favored 'General case' 0 N--CA 1.515 2.779 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.353 26.7 t-105 -52.63 -54.65 30.27 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.479 -1.288 . . . . 0.0 113.889 158.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -63.78 -25.05 68.01 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.503 -1.373 . . . . 0.0 112.113 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.367 7.9 tp10 -66.92 -30.66 70.87 Favored 'General case' 0 C--O 1.182 -2.459 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 168.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -72.18 -44.87 62.35 Favored 'General case' 0 N--CA 1.526 3.357 0 CA-C-N 109.464 -3.516 . . . . 0.0 108.667 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 mt -69.45 -14.32 62.82 Favored 'General case' 0 C--O 1.188 -2.152 0 CA-C-O 115.403 -2.236 . . . . 0.0 114.459 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -82.48 -35.41 27.46 Favored 'General case' 0 C--O 1.187 -2.197 0 O-C-N 124.983 1.427 . . . . 0.0 113.638 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.7 94.18 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 120.042 -1.661 . . . . 0.0 113.766 170.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.384 0.3 OUTLIER -65.25 -42.27 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.68 -50.09 55.66 Favored 'General case' 0 N--CA 1.387 -3.617 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.68 -38.75 88.96 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 112.294 -2.23 . . . . 0.0 111.532 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.72 65.14 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 126.632 2.458 . . . . 0.0 114.616 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.83 -36.75 82.07 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 118.808 -1.157 . . . . 0.0 113.928 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.73 -43.84 75.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 125.045 1.338 . . . . 0.0 111.026 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.6 84.18 Favored 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.936 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -51.78 -32.14 29.87 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.949 2.656 . . . . 0.0 114.607 162.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.9 tp -81.61 -42.38 20.13 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 121.742 2.065 . . . . 0.0 111.315 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -62.24 -13.79 31.63 Favored 'General case' 0 N--CA 1.535 3.813 0 O-C-N 121.146 -0.971 . . . . 0.0 111.935 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.3 t -76.32 -51.64 11.54 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.558 -1.339 . . . . 0.0 110.905 162.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -66.81 -30.11 70.22 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-O 115.035 -2.412 . . . . 0.0 109.692 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.06 -27.59 60.04 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 123.117 2.69 . . . . 0.0 112.624 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.252 3.2 tm? -79.06 -29.45 43.45 Favored 'General case' 0 C--O 1.188 -2.141 0 O-C-N 119.654 -1.904 . . . . 0.0 106.105 173.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.6 m -82.94 161.28 21.87 Favored 'General case' 0 N--CA 1.403 -2.812 0 C-N-CA 126.023 1.729 . . . . 0.0 112.716 176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.404 11.1 ptm180 -79.53 136.52 55.86 Favored Pre-proline 0 C--O 1.273 2.291 0 C-N-CA 127.972 2.509 . . . . 0.0 109.93 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.47 174.12 12.28 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 121.144 1.229 . . . . 0.0 114.827 -172.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.84 25.34 Favored Glycine 1 CA--C 1.579 4.056 0 C-N-CA 127.394 2.426 . . . . 0.0 113.242 -163.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.325 26.7 Cg_exo -56.93 159.2 15.09 Favored 'Trans proline' 0 N--CA 1.503 2.081 1 C-N-CA 126.491 4.794 . . . . 0.0 117.335 -176.265 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.32 177.24 22.0 Favored Glycine 0 CA--C 1.565 3.208 1 C-N-CA 131.209 4.243 . . . . 0.0 112.622 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 tp -97.85 -10.01 25.42 Favored 'General case' 0 CA--C 1.566 1.596 0 O-C-N 121.377 -1.072 . . . . 0.0 110.904 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.61 155.22 21.72 Favored Glycine 0 CA--C 1.56 2.892 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 170.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -77.45 143.79 22.17 Favored 'Trans proline' 0 C--O 1.278 2.504 0 CA-C-N 123.174 3.487 . . . . 0.0 108.095 -168.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.274 58.1 m-20 -60.17 -15.81 27.24 Favored 'General case' 0 N--CA 1.538 3.951 0 CA-C-N 112.362 -2.199 . . . . 0.0 116.782 -161.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -114.69 5.2 15.27 Favored 'General case' 0 C--O 1.274 2.361 0 O-C-N 121.805 -0.56 . . . . 0.0 111.339 -170.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.71 117.17 8.47 Favored 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -170.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.38 1.4 p -80.74 -26.49 37.31 Favored 'General case' 0 C--N 1.273 -2.734 0 C-N-CA 129.467 3.107 . . . . 0.0 114.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.15 154.36 29.37 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.608 165.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -90.28 76.69 6.77 Favored 'General case' 1 N--CA 1.362 -4.863 0 C-N-CA 128.244 2.618 . . . . 0.0 114.859 170.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -78.57 152.23 31.98 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 116.816 -3.677 . . . . 0.0 112.511 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -119.74 110.14 16.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.842 1.338 . . . . 0.0 113.419 -165.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 170.28 3.81 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 126.035 1.734 . . . . 0.0 115.464 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.3 p -136.0 -68.57 0.5 Allowed 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 mt -80.11 155.31 74.9 Favored Pre-proline 0 C--N 1.272 -2.779 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -52.81 151.99 18.44 Favored 'Trans proline' 0 N--CA 1.436 -1.868 0 N-CA-C 118.875 2.606 . . . . 0.0 118.875 169.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 170.37 13.06 Favored Glycine 0 C--O 1.263 1.926 0 C-N-CA 130.135 3.731 . . . . 0.0 113.02 -171.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -81.84 149.67 28.2 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.66 117.01 5.31 Favored 'General case' 0 N--CA 1.404 -2.75 0 C-N-CA 129.384 3.074 . . . . 0.0 113.657 -169.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -64.71 -29.61 70.6 Favored 'General case' 0 C--N 1.368 1.4 1 O-C-N 111.371 -7.081 . . . . 0.0 120.454 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -61.38 -37.8 84.72 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 126.699 2.499 . . . . 0.0 113.297 166.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -74.14 -28.62 61.41 Favored 'General case' 0 CA--C 1.464 -2.351 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.397 25.1 m-85 -69.52 -27.83 65.52 Favored 'General case' 0 C--O 1.176 -2.8 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 161.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mmm -71.63 -38.55 70.75 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.449 -2.215 . . . . 0.0 112.534 162.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.9 -27.8 53.73 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 122.583 2.447 . . . . 0.0 116.844 160.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -73.69 -25.35 20.63 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.209 0 CA-C-O 117.532 -1.223 . . . . 0.0 112.508 173.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.3 -43.9 96.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 120.647 1.567 . . . . 0.0 109.834 163.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.267 36.3 t80 -63.82 -22.12 66.76 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 127.313 2.883 . . . . 0.0 112.944 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.395 0.4 OUTLIER -94.17 -18.56 6.85 Favored 'Isoleucine or valine' 0 C--N 1.372 1.545 0 O-C-N 117.647 -3.158 . . . . 0.0 116.454 178.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.282 19.5 mtm -66.36 -43.73 85.17 Favored 'General case' 0 CA--C 1.602 2.96 0 O-C-N 120.117 -1.615 . . . . 0.0 111.254 154.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.15 -49.94 75.95 Favored 'General case' 0 CA--C 1.592 2.561 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.81 -38.4 81.85 Favored 'General case' 0 C--N 1.409 3.195 0 O-C-N 118.352 -2.717 . . . . 0.0 111.785 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.327 63.3 t80 -47.73 -51.91 20.43 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 117.613 2.449 . . . . 0.0 117.613 172.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.17 75.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 125.548 1.78 . . . . 0.0 112.203 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.01 -37.79 77.6 Favored 'Isoleucine or valine' 0 C--N 1.387 2.233 0 C-N-CA 127.406 2.282 . . . . 0.0 112.465 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -73.61 -15.47 61.27 Favored 'General case' 0 CA--C 1.485 -1.544 0 N-CA-C 121.305 3.817 . . . . 0.0 121.305 164.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.36 -49.93 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 164.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.74 -32.46 36.98 Favored Glycine 0 CA--C 1.488 -1.609 0 CA-C-N 119.735 1.152 . . . . 0.0 110.38 -168.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 t -61.39 -31.25 71.16 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 167.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.86 -52.5 42.79 Favored 'General case' 0 C--N 1.386 2.154 0 O-C-N 119.026 -2.296 . . . . 0.0 110.362 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.9 mt -56.79 -49.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 CA-C-O 121.697 0.761 . . . . 0.0 111.75 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.8 -38.57 64.66 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 161.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.19 8.3 Favored Glycine 0 CA--C 1.544 1.901 0 CA-C-O 118.719 -1.045 . . . . 0.0 115.508 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -56.76 -42.11 78.76 Favored 'General case' 0 C--N 1.381 1.951 0 O-C-N 128.386 3.051 . . . . 0.0 117.815 169.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -72.52 -47.67 46.54 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 125.856 1.972 . . . . 0.0 113.095 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.52 -41.99 0.5 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.34 -22.87 47.37 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 -157.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -119.8 130.04 54.73 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 117.447 -1.263 . . . . 0.0 113.156 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 53.14 53.33 12.08 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -51.47 137.62 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.73 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.9 -37.47 70.09 Favored 'General case' 0 C--O 1.276 2.49 0 C-N-CA 128.445 2.698 . . . . 0.0 116.487 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -67.68 156.97 35.64 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 126.954 2.102 . . . . 0.0 108.663 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.9 ptt-85 -137.95 31.42 2.46 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 118.342 -2.724 . . . . 0.0 107.976 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 m -126.64 130.41 50.39 Favored 'General case' 0 CA--C 1.477 -1.832 0 O-C-N 121.62 -0.675 . . . . 0.0 109.831 -174.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.322 12.8 p30 -78.42 161.29 70.5 Favored Pre-proline 0 C--N 1.311 -1.107 0 C-N-CA 131.625 3.97 . . . . 0.0 113.06 162.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -61.48 -21.58 72.29 Favored 'Trans proline' 0 N--CA 1.488 1.153 0 C-N-CA 122.057 1.838 . . . . 0.0 115.005 168.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.31 3.3 m-85 -60.82 -37.28 81.49 Favored 'General case' 0 CA--C 1.589 2.46 0 N-CA-C 119.023 2.972 . . . . 0.0 119.023 164.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -47.22 -34.72 6.72 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 166.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.78 -29.43 47.38 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 120.639 -1.288 . . . . 0.0 114.162 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -87.73 -31.67 19.55 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 130.724 3.609 . . . . 0.0 118.508 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 tt -138.11 125.31 28.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.828 0 CA-C-O 123.935 1.826 . . . . 0.0 112.55 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -71.51 -21.61 61.89 Favored 'General case' 1 N--CA 1.548 4.426 0 CA-C-O 126.724 3.154 . . . . 0.0 112.846 -170.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -78.73 -14.02 59.51 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 117.416 -3.303 . . . . 0.0 113.0 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -55.66 137.7 48.77 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 122.684 2.493 . . . . 0.0 115.057 -174.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.1 146.91 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.345 0 O-C-N 126.638 2.461 . . . . 0.0 112.18 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 p -73.81 154.92 39.31 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 117.942 -2.974 . . . . 0.0 108.898 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.8 ttt -61.22 144.99 52.75 Favored 'General case' 0 N--CA 1.406 -2.631 0 C-N-CA 129.388 3.075 . . . . 0.0 115.829 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.19 0 O-C-N 126.042 2.088 . . . . 0.0 116.603 150.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 C--O 1.191 -1.981 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -152.7 7.12 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 130.644 3.578 . . . . 0.0 118.482 -154.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 t -164.12 166.73 20.99 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 127.498 2.319 . . . . 0.0 113.568 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.397 0.8 OUTLIER -92.92 70.56 4.66 Favored 'General case' 0 CA--C 1.475 -1.937 0 C-N-CA 130.451 3.5 . . . . 0.0 115.61 -172.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -70.67 123.34 21.66 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 113.604 -1.634 . . . . 0.0 110.864 168.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.43 -179.35 41.01 Favored Glycine 1 N--CA 1.536 5.364 0 O-C-N 117.502 -3.249 . . . . 0.0 116.215 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -140.83 173.09 11.83 Favored 'General case' 0 C--O 1.274 2.365 0 O-C-N 118.644 -2.68 . . . . 0.0 114.741 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -33.32 75.67 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 115.582 -2.151 . . . . 0.0 113.01 168.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 m -78.42 -32.44 48.64 Favored 'General case' 0 C--O 1.191 -2.013 0 CA-C-O 125.464 2.554 . . . . 0.0 114.543 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -61.97 -48.8 78.74 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-O 113.206 -3.283 . . . . 0.0 110.963 156.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.317 34.5 t80 -56.32 -51.4 68.38 Favored 'General case' 0 C--N 1.306 -1.315 1 CA-C-N 128.786 5.266 . . . . 0.0 115.166 174.947 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -62.1 -25.94 68.01 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.754 2.534 . . . . 0.0 116.339 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -82.68 -35.85 26.46 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 119.371 -2.081 . . . . 0.0 111.799 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.75 -33.39 74.75 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 165.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.529 ' ND1' ' HE2' ' A' ' 19' ' ' LYS . 57.4 t-80 -61.81 -51.16 69.39 Favored 'General case' 0 N--CA 1.535 3.81 0 CA-C-O 115.848 -2.025 . . . . 0.0 108.514 162.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.75 6.42 Favored 'General case' 0 N--CA 1.519 2.987 0 CA-C-N 122.184 2.266 . . . . 0.0 112.677 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.322 0.3 OUTLIER -57.63 -36.45 54.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -178.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.61 -31.91 62.17 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.493 -2.004 . . . . 0.0 114.682 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' HE2' ' ND1' ' A' ' 15' ' ' HIS . 18.3 mtmt -63.18 -32.71 74.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 127.543 3.027 . . . . 0.0 114.427 166.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.25 66.78 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.791 1.307 . . . . 0.0 111.732 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.0 -47.91 78.46 Favored 'General case' 0 CA--C 1.592 2.582 0 O-C-N 119.364 -2.085 . . . . 0.0 108.74 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -60.7 -27.81 68.17 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-O 123.524 1.63 . . . . 0.0 111.009 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.85 -29.95 13.93 Favored 'General case' 0 CA--C 1.595 2.692 1 O-C-N 115.784 -4.322 . . . . 0.0 109.931 -167.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.25 1.1 t -63.3 -33.9 76.51 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 124.521 2.105 . . . . 0.0 110.89 161.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.51 -37.46 68.36 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 118.84 -2.413 . . . . 0.0 114.762 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -64.42 -46.83 81.55 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 113.85 -2.976 . . . . 0.0 112.003 161.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -55.1 -34.93 64.1 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 122.975 2.625 . . . . 0.0 116.394 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.23 -52.74 10.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.17 -23.08 67.01 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 126.153 1.781 . . . . 0.0 115.097 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.41 21.83 15.3 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-N 119.848 1.203 . . . . 0.0 109.615 174.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.15 163.91 22.75 Favored 'General case' 0 C--O 1.187 -2.207 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.326 11.7 mpt_? -70.09 116.66 46.58 Favored Pre-proline 0 N--CA 1.532 3.63 0 CA-C-O 112.707 -3.52 . . . . 0.0 114.799 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -64.22 136.84 53.51 Favored 'Trans proline' 0 N--CA 1.429 -2.286 0 CA-C-N 124.135 2.512 . . . . 0.0 114.161 165.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.09 163.56 13.59 Favored Glycine 1 CA--C 1.58 4.108 0 CA-C-O 117.589 -1.673 . . . . 0.0 112.772 -164.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -66.34 -30.29 45.12 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.895 3.73 . . . . 0.0 109.327 -166.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.46 140.7 34.07 Favored Glycine 0 C--N 1.38 3.019 1 O-C-N 115.539 -4.475 . . . . 0.0 111.418 -175.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -102.3 29.97 4.84 Favored 'General case' 0 C--N 1.27 -2.861 0 O-C-N 119.781 -2.011 . . . . 0.0 108.45 -163.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.36 38.53 Favored Glycine 0 CA--C 1.541 1.717 0 O-C-N 126.37 2.293 . . . . 0.0 111.604 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.1 147.43 53.77 Favored 'Trans proline' 0 CA--C 1.56 1.8 0 C-N-CA 124.408 3.405 . . . . 0.0 110.872 -172.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.56 2.1 p30 -55.69 -22.62 24.23 Favored 'General case' 0 CA--C 1.581 2.153 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 -166.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -91.56 4.56 52.33 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 120.861 3.652 . . . . 0.0 120.861 -171.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -145.33 167.84 21.92 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 117.034 -3.541 . . . . 0.0 110.69 -170.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -152.09 151.73 31.47 Favored 'General case' 0 N--CA 1.522 3.166 0 O-C-N 120.768 -1.208 . . . . 0.0 108.959 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -45.16 108.64 0.13 Allowed 'General case' 0 C--O 1.265 1.92 0 CA-C-N 112.963 -1.926 . . . . 0.0 116.085 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.09 130.61 42.58 Favored 'General case' 0 C--N 1.302 -1.461 2 CA-C-N 126.249 4.113 . . . . 0.0 110.064 169.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -56.09 135.05 53.05 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 112.759 -2.019 . . . . 0.0 112.077 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.265 7.4 mpt_? -110.08 172.43 6.86 Favored 'General case' 0 CA--C 1.475 -1.919 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 167.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . 0.319 . . -77.78 166.38 23.01 Favored 'General case' 0 CA--C 1.569 1.707 0 O-C-N 118.744 -2.473 . . . . 0.0 117.083 166.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -81.93 45.1 0.88 Allowed 'General case' 0 N--CA 1.519 2.992 0 CA-C-O 126.392 2.996 . . . . 0.0 117.387 -172.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -148.36 152.69 39.39 Favored Pre-proline 0 N--CA 1.525 3.286 0 CA-C-N 109.058 -3.701 . . . . 0.0 113.1 -165.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD2' HD21 ' A' ' 50' ' ' LEU . 52.9 Cg_exo -57.53 149.31 67.55 Favored 'Trans proline' 0 C--N 1.396 3.027 0 C-N-CA 124.108 3.205 . . . . 0.0 113.674 174.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.72 132.99 7.26 Favored Glycine 1 CA--C 1.59 4.767 0 C-N-CA 126.822 2.153 . . . . 0.0 113.08 -174.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -154.29 -5.37 0.16 Allowed 'General case' 0 N--CA 1.51 2.542 0 C-N-CA 127.821 2.448 . . . . 0.0 112.195 169.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -143.69 169.43 17.77 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 115.21 -2.328 . . . . 0.0 106.69 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -13.15 62.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 114.771 -2.537 . . . . 0.0 112.078 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.36 -47.36 8.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 126.142 2.151 . . . . 0.0 116.412 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.7 p -52.21 -41.73 62.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.293 1.437 . . . . 0.0 109.544 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.42 -29.28 64.71 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 117.729 -3.107 . . . . 0.0 116.812 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.8 tpt -67.41 -46.81 72.1 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.422 1.701 . . . . 0.0 108.421 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.89 -33.63 57.11 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.039 0.936 . . . . 0.0 108.769 172.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.55 -38.08 72.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.977 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 tp -50.88 -43.76 59.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.723 -1.861 . . . . 0.0 107.797 167.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.257 0.7 OUTLIER -68.93 -23.23 64.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 118.673 -2.517 . . . . 0.0 116.305 169.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -26.02 14.02 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.378 0 O-C-N 127.544 3.028 . . . . 0.0 115.23 175.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttp -65.86 -47.04 76.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.787 -1.195 . . . . 0.0 111.361 162.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.37 6.5 t80 -51.27 -56.66 11.81 Favored 'General case' 0 N--CA 1.533 3.712 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 164.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.36 -37.25 55.71 Favored 'General case' 0 N--CA 1.508 2.451 0 C-N-CA 125.97 1.708 . . . . 0.0 107.719 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.284 17.5 t80 -57.71 -38.76 75.82 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -28.49 65.25 Favored 'General case' 0 N--CA 1.515 2.794 0 C-N-CA 116.284 -2.166 . . . . 0.0 114.227 170.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.43 -36.2 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 124.875 1.359 . . . . 0.0 112.955 171.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.7 m -68.2 -28.34 67.17 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.808 1.318 . . . . 0.0 113.901 170.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.22 -45.43 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.247 0 O-C-N 118.392 -2.692 . . . . 0.0 111.327 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.82 -60.0 9.39 Favored Glycine 0 C--O 1.198 -2.107 0 CA-C-O 117.61 -1.661 . . . . 0.0 114.34 166.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . 0.364 6.1 m -46.09 -34.79 4.42 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 126.016 1.726 . . . . 0.0 112.587 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.67 -41.42 68.72 Favored 'General case' 0 CA--C 1.468 -2.197 0 O-C-N 118.584 -2.573 . . . . 0.0 113.708 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--O 1.271 2.233 0 O-C-N 120.43 -1.418 . . . . 0.0 108.801 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.39 -42.17 96.28 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.411 2.284 . . . . 0.0 112.387 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.18 73.44 Favored Glycine 0 N--CA 1.431 -1.652 0 CA-C-N 122.592 2.451 . . . . 0.0 110.193 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.358 9.9 m-85 -60.58 -24.73 65.68 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 121.372 2.586 . . . . 0.0 117.382 157.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.419 0.2 OUTLIER -96.1 4.08 52.81 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 118.32 2.711 . . . . 0.0 118.32 175.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -159.64 -59.57 0.06 Allowed 'General case' 0 N--CA 1.512 2.653 0 O-C-N 120.268 -1.52 . . . . 0.0 109.57 -164.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -66.0 -38.32 88.17 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . 0.283 56.3 ttt180 -57.84 128.01 34.93 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.807 2.043 . . . . 0.0 112.16 169.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.36 -59.96 2.55 Favored 'General case' 0 C--O 1.185 -2.335 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.256 1.5 m -106.62 -179.37 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 CA-C-O 117.689 -1.148 . . . . 0.0 114.087 -173.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -142.42 -176.54 4.88 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 126.237 1.815 . . . . 0.0 113.305 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -8.13 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 1 CA-C-O 108.412 -5.566 . . . . 0.0 110.706 174.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -85.16 -27.04 26.45 Favored 'General case' 0 N--CA 1.494 1.74 1 CA-C-N 126.855 4.388 . . . . 0.0 109.724 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.1 p -79.32 133.67 36.61 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 121.728 2.058 . . . . 0.0 116.42 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.285 0.5 OUTLIER -64.5 137.93 97.29 Favored Pre-proline 0 N--CA 1.48 1.032 0 O-C-N 118.351 -2.718 . . . . 0.0 115.273 -179.236 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -63.87 -1.76 3.79 Favored 'Trans proline' 0 C--N 1.396 3.069 0 N-CA-C 122.026 3.818 . . . . 0.0 122.026 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.316 28.1 t80 -122.8 -19.71 6.11 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 162.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.07 -38.4 68.0 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 125.072 1.349 . . . . 0.0 109.859 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.8 m -66.87 -19.14 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.586 0 O-C-N 117.07 -3.519 . . . . 0.0 116.409 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.358 62.1 m-85 -80.28 -6.31 57.69 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 127.301 2.876 . . . . 0.0 113.193 174.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.0 mm -100.41 100.67 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 N-CA-C 104.236 -2.505 . . . . 0.0 104.236 -173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -77.54 -26.92 51.43 Favored 'General case' 0 N--CA 1.521 3.087 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -173.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -70.6 44.55 0.08 Allowed 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 129.664 3.186 . . . . 0.0 111.653 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -145.23 133.05 21.14 Favored 'General case' 0 C--O 1.218 -0.576 1 C-N-CA 135.505 5.522 . . . . 0.0 107.473 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.95 128.46 37.4 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -45.09 138.63 3.67 Favored 'General case' 0 C--O 1.287 3.07 0 N-CA-C 119.015 2.968 . . . . 0.0 119.015 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.4 mtm -83.54 146.53 28.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 116.71 -3.744 . . . . 0.0 111.799 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.568 1.653 0 CA-C-O 124.043 1.878 . . . . 0.0 114.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.253 4.4 mmt . . . . . 1 N--CA 1.543 4.203 0 CA-C-O 122.461 1.124 . . . . 0.0 112.426 . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -103.65 153.41 20.66 Favored 'General case' 0 CA--C 1.581 2.167 0 C-N-CA 127.204 2.202 . . . . 0.0 110.22 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.7 m -61.48 140.13 58.12 Favored 'General case' 0 N--CA 1.512 2.627 0 C-N-CA 126.912 2.085 . . . . 0.0 111.698 167.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.39 163.76 38.86 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -172.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -116.94 142.14 47.32 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 126.985 2.114 . . . . 0.0 109.44 168.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.17 -156.73 7.41 Favored Glycine 0 C--O 1.267 2.2 1 CA-C-O 128.199 4.221 . . . . 0.0 111.583 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.342 1.2 p -59.0 153.96 16.5 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.001 3.32 . . . . 0.0 117.344 172.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.38 -25.66 68.39 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 126.502 3.049 . . . . 0.0 115.411 172.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -80.02 -35.1 37.75 Favored 'General case' 0 CA--C 1.476 -1.901 0 O-C-N 118.863 -2.398 . . . . 0.0 108.084 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -61.62 -38.84 89.11 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 117.679 -3.138 . . . . 0.0 112.897 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.307 3.1 t80 -60.21 -41.76 93.72 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-N 123.704 2.956 . . . . 0.0 113.263 172.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 -11.99 58.14 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-O 124.723 2.201 . . . . 0.0 110.523 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -79.59 -42.13 25.64 Favored 'General case' 0 C--O 1.274 2.351 0 CA-C-O 126.014 2.816 . . . . 0.0 114.626 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.87 -56.06 27.1 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 119.251 -2.156 . . . . 0.0 108.367 167.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -67.04 -19.26 65.65 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 117.517 -3.24 . . . . 0.0 116.373 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.25 . . -78.03 -48.45 16.11 Favored 'General case' 0 CA--C 1.566 1.576 0 O-C-N 127.338 2.899 . . . . 0.0 115.977 166.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.336 3.0 p -64.39 -28.65 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 117.46 2.393 . . . . 0.0 117.46 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.5 -44.84 81.48 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.595 -1.316 . . . . 0.0 110.509 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.2 -32.67 74.47 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -42.6 78.7 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 125.863 1.665 . . . . 0.0 113.17 164.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.62 -41.25 85.47 Favored 'General case' 0 N--CA 1.531 3.579 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.27 3.9 m-80 -67.58 -35.23 78.61 Favored 'General case' 0 N--CA 1.426 -1.651 1 C-N-CA 132.504 4.321 . . . . 0.0 112.173 176.112 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.53 -46.8 24.99 Favored 'General case' 0 CA--C 1.575 1.928 1 O-C-N 113.91 -5.494 . . . . 0.0 103.536 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.316 1.9 m -45.22 -41.42 8.33 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-O 122.829 1.3 . . . . 0.0 113.694 164.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.0 -41.59 25.53 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 117.341 -3.35 . . . . 0.0 107.107 -174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.4 -33.05 74.01 Favored 'General case' 0 CA--C 1.58 2.097 0 O-C-N 119.713 -1.867 . . . . 0.0 111.522 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -62.76 -42.38 99.66 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 124.348 1.059 . . . . 0.0 110.457 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -83.69 -1.71 54.64 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.111 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -148.96 -52.44 0.16 Allowed 'General case' 1 N--CA 1.571 5.6 0 CA-C-N 120.994 1.725 . . . . 0.0 114.756 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -93.54 -23.72 18.23 Favored 'General case' 0 N--CA 1.405 -2.684 0 CA-C-N 121.337 1.88 . . . . 0.0 110.88 -162.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.41 152.86 42.87 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 162.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -90.89 121.32 68.2 Favored Pre-proline 0 C--O 1.253 1.259 0 C-N-CA 130.959 3.704 . . . . 0.0 109.587 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.31 135.95 15.5 Favored 'Trans proline' 0 C--O 1.265 1.829 0 O-C-N 125.115 2.113 . . . . 0.0 109.172 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.7 170.41 46.34 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 125.456 1.503 . . . . 0.0 113.851 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -79.42 164.31 24.01 Favored 'Trans proline' 0 C--O 1.261 1.632 0 C-N-CA 124.133 3.222 . . . . 0.0 107.703 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.63 158.3 46.84 Favored Glycine 1 N--CA 1.525 4.622 0 O-C-N 116.609 -3.807 . . . . 0.0 118.759 164.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 131.93 36.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 117.017 -3.637 . . . . 0.0 110.449 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.05 113.78 6.02 Favored Glycine 0 N--CA 1.488 2.121 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.91 -173.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -55.02 135.83 70.4 Favored 'Trans proline' 0 CA--C 1.48 -2.188 0 CA-C-N 122.87 3.335 . . . . 0.0 116.713 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.56 -12.27 61.0 Favored 'General case' 0 N--CA 1.508 2.436 1 O-C-N 114.556 -5.09 . . . . 0.0 111.004 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . 0.333 11.7 m120 -73.71 -20.91 60.4 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.909 173.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.86 146.5 28.06 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 114.483 -2.675 . . . . 0.0 112.604 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 p -163.49 159.08 21.67 Favored 'General case' 0 CA--C 1.593 2.628 0 CA-C-O 124.575 2.131 . . . . 0.0 111.963 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -101.66 134.72 44.36 Favored 'General case' 0 N--CA 1.519 2.984 0 C-N-CA 128.227 2.611 . . . . 0.0 107.983 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -109.6 -5.04 15.82 Favored 'General case' 0 C--N 1.384 2.081 0 O-C-N 117.789 -3.069 . . . . 0.0 113.177 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.266 88.0 mtm180 -71.28 134.65 46.95 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 167.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.99 167.76 21.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 115.312 -2.28 . . . . 0.0 116.316 -158.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.06 145.85 35.02 Favored 'General case' 0 C--N 1.272 -2.8 0 O-C-N 127.118 2.761 . . . . 0.0 115.437 -171.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 m -121.87 16.71 10.98 Favored 'General case' 0 N--CA 1.525 3.3 0 CA-C-N 111.528 -2.578 . . . . 0.0 112.996 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.0 128.11 90.97 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 117.001 -1.879 . . . . 0.0 110.726 165.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -52.88 148.7 28.32 Favored 'Trans proline' 0 C--N 1.391 2.792 0 C-N-CA 124.172 3.248 . . . . 0.0 114.516 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.28 163.7 14.77 Favored Glycine 0 N--CA 1.411 -2.995 0 C-N-CA 127.908 2.67 . . . . 0.0 113.698 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -142.73 -14.19 0.74 Allowed 'General case' 0 CA--C 1.571 1.775 0 C-N-CA 128.786 2.835 . . . . 0.0 115.732 -165.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -166.61 -177.01 3.76 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 124.618 2.151 . . . . 0.0 110.121 -167.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -78.09 -29.21 48.95 Favored 'General case' 0 CA--C 1.565 1.548 0 O-C-N 117.568 -3.207 . . . . 0.0 112.426 -173.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.84 -58.69 7.28 Favored 'General case' 0 CA--C 1.592 2.584 1 O-C-N 114.696 -5.002 . . . . 0.0 110.279 163.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -56.36 -45.16 80.59 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 125.232 1.582 . . . . 0.0 112.945 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.458 17.3 m-85 -66.76 -27.13 67.35 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -174.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -87.13 -36.01 18.32 Favored 'General case' 0 C--O 1.273 2.337 1 O-C-N 129.534 4.271 . . . . 0.0 108.058 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -54.24 -31.73 54.17 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 113.278 -3.249 . . . . 0.0 118.276 153.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.5 mm -72.15 -36.05 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 CA-C-N 122.967 2.621 . . . . 0.0 107.081 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.19 -39.61 78.55 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 119.116 0.871 . . . . 0.0 113.299 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.308 6.0 t80 -50.72 -25.99 4.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.032 2.533 . . . . 0.0 116.601 156.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.54 -20.25 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 120.101 -1.624 . . . . 0.0 111.239 -172.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.01 -35.88 81.7 Favored 'General case' 0 CA--C 1.601 2.908 0 O-C-N 118.507 -2.621 . . . . 0.0 112.729 153.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.286 15.9 t80 -67.34 -49.09 65.5 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 167.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.11 -25.34 66.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.754 1.909 . . . . 0.0 115.108 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.64 -53.83 50.89 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.491 -2.006 . . . . 0.0 114.915 163.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 -27.51 62.74 Favored 'General case' 0 CA--C 1.62 3.643 0 CA-C-N 124.268 3.213 . . . . 0.0 115.472 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 t -75.15 -32.98 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 171.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.561 0.2 OUTLIER -59.27 -23.47 62.41 Favored 'General case' 0 N--CA 1.439 -0.978 1 C-N-CA 133.838 4.855 . . . . 0.0 112.581 163.494 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 t -78.32 -37.28 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-O 114.495 -2.669 . . . . 0.0 114.131 166.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.25 -39.27 95.93 Favored Glycine 0 CA--C 1.572 3.644 0 CA-C-O 116.702 -2.166 . . . . 0.0 107.704 163.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 -33.73 58.26 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 120.51 2.155 . . . . 0.0 111.215 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.67 -36.26 62.79 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-O 115.168 -2.349 . . . . 0.0 108.658 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.7 mt -67.98 -38.64 80.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-N 123.514 2.87 . . . . 0.0 108.972 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.79 -37.21 78.45 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 170.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.12 -37.02 72.47 Favored Glycine 0 CA--C 1.556 2.613 0 C-N-CA 125.76 1.648 . . . . 0.0 114.499 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CD2' ' HD3' ' A' ' 83' ' ' ARG . 22.9 m-85 -52.34 -34.62 48.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 125.081 2.372 . . . . 0.0 117.272 159.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.476 0.2 OUTLIER -62.81 -53.48 53.63 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 118.41 2.744 . . . . 0.0 118.41 166.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -110.95 -73.28 0.69 Allowed 'General case' 0 N--CA 1.528 3.464 0 CA-C-N 114.229 -1.351 . . . . 0.0 112.251 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -70.09 -14.09 62.5 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.513 ' HD3' ' CD2' ' A' ' 79' ' ' TYR . 29.6 ttt-85 -86.48 -4.68 59.21 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.696 -1.878 . . . . 0.0 108.83 169.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HE3' ' O ' ' A' ' 79' ' ' TYR . 81.9 mttt -125.23 -42.76 1.98 Allowed 'General case' 0 C--O 1.267 1.995 1 O-C-N 115.246 -4.659 . . . . 0.0 115.374 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.4 m -159.49 166.28 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.956 1 CA-C-O 128.765 4.126 . . . . 0.0 108.715 -160.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.35 3.4 p30 -122.16 134.69 54.73 Favored 'General case' 0 C--O 1.275 2.432 1 O-C-N 115.435 -4.541 . . . . 0.0 117.892 176.83 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -58.51 134.15 56.44 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 131.67 3.988 . . . . 0.0 117.415 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -130.13 4.14 4.82 Favored 'General case' 0 N--CA 1.407 -2.624 1 O-C-N 116.148 -4.095 . . . . 0.0 114.614 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 102' ' ' MET . 44.9 p -61.28 145.52 51.05 Favored 'General case' 0 C--N 1.276 -2.615 0 N-CA-C 119.609 3.188 . . . . 0.0 119.609 170.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.96 96.99 0.93 Allowed Pre-proline 0 N--CA 1.518 2.94 0 CA-C-O 114.902 -2.475 . . . . 0.0 109.093 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.57 -9.14 17.11 Favored 'Trans proline' 0 C--O 1.204 -1.218 1 C-N-CA 127.457 5.438 . . . . 0.0 116.2 -163.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.456 85.3 m-85 -75.21 -24.09 57.72 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 -152.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -56.78 -16.1 5.9 Favored 'General case' 0 C--O 1.18 -2.581 0 C-N-CA 130.663 3.585 . . . . 0.0 110.442 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.68 -31.33 17.29 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 C-N-CA 129.073 2.949 . . . . 0.0 112.72 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -97.24 -37.77 9.95 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.05 108.02 24.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 C-N-CA 125.588 1.555 . . . . 0.0 112.486 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -49.56 -41.84 42.66 Favored 'General case' 0 C--O 1.268 2.052 0 O-C-N 124.805 1.315 . . . . 0.0 110.92 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -87.6 0.63 55.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 116.909 -3.62 . . . . 0.0 111.914 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -81.78 157.94 24.3 Favored 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 121.475 1.943 . . . . 0.0 106.734 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . 0.258 9.3 p -95.19 143.82 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.062 0 O-C-N 119.08 -2.263 . . . . 0.0 111.226 176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -63.77 131.27 47.33 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 118.547 -2.595 . . . . 0.0 110.56 167.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' SER . 61.3 mtm -127.46 168.27 15.12 Favored 'General case' 0 C--O 1.181 -2.541 0 CA-C-O 125.305 2.478 . . . . 0.0 111.12 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.582 2.19 1 CA-C-N 108.091 -4.14 . . . . 0.0 118.901 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.282 58.3 mp0 -76.74 176.75 8.16 Favored 'General case' 0 N--CA 1.52 3.048 0 O-C-N 120.442 -1.411 . . . . 0.0 112.35 169.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.42 116.09 31.51 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 127.423 2.952 . . . . 0.0 106.418 175.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -75.13 148.63 39.51 Favored 'General case' 0 N--CA 1.538 3.97 0 C-N-CA 123.44 0.696 . . . . 0.0 111.563 -170.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -56.54 155.66 7.06 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 127.879 2.472 . . . . 0.0 116.42 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.22 -164.44 24.79 Favored Glycine 0 N--CA 1.472 1.077 0 O-C-N 119.739 -1.85 . . . . 0.0 116.043 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -75.99 176.35 8.0 Favored 'General case' 0 N--CA 1.534 3.736 0 O-C-N 118.675 -2.662 . . . . 0.0 116.982 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -66.28 -38.39 87.67 Favored 'General case' 0 C--O 1.297 3.555 0 CA-C-O 123.845 1.783 . . . . 0.0 107.731 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.545 0.0 OUTLIER -62.05 -45.16 94.77 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 119.961 -1.712 . . . . 0.0 114.136 167.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.66 -50.64 72.68 Favored 'General case' 0 N--CA 1.533 3.702 0 O-C-N 117.173 -3.454 . . . . 0.0 109.95 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.402 4.1 t80 -54.65 -44.48 73.28 Favored 'General case' 0 CA--C 1.463 -2.401 0 CA-C-O 114.727 -2.558 . . . . 0.0 117.222 172.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.81 -23.35 66.17 Favored 'General case' 0 CA--C 1.606 3.13 0 CA-C-N 120.34 1.427 . . . . 0.0 108.829 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -80.15 -31.88 38.93 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.395 -1.441 . . . . 0.0 111.736 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -67.0 -37.75 84.76 Favored 'General case' 0 C--N 1.407 3.066 0 O-C-N 117.819 -3.05 . . . . 0.0 114.02 165.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -57.25 -42.29 81.23 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.97 89.03 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.657 1.983 . . . . 0.0 109.473 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.85 -58.12 5.96 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.663 0 CA-C-N 124.688 3.403 . . . . 0.0 111.359 161.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.95 -25.16 67.76 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 119.044 -2.285 . . . . 0.0 111.356 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.72 -43.16 66.37 Favored 'General case' 0 N--CA 1.521 3.097 0 O-C-N 118.985 -2.322 . . . . 0.0 114.041 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.03 -63.81 0.94 Allowed 'General case' 0 C--O 1.197 -1.708 0 O-C-N 126.729 2.518 . . . . 0.0 109.791 163.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tt -46.09 -39.78 9.88 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 118.909 -2.37 . . . . 0.0 115.281 175.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.0 -24.52 61.58 Favored 'General case' 0 CA--C 1.601 2.942 0 C-N-CA 128.518 2.727 . . . . 0.0 109.752 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.97 -52.97 9.8 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 120.519 -1.363 . . . . 0.0 108.363 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -43.3 29.52 Favored 'General case' 0 C--O 1.186 -2.245 0 C-N-CA 127.376 2.27 . . . . 0.0 114.16 163.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.67 -61.64 2.18 Favored 'General case' 0 C--O 1.18 -2.583 0 O-C-N 117.99 -2.944 . . . . 0.0 114.388 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.25 -34.85 77.32 Favored 'General case' 0 CA--C 1.501 -0.912 0 O-C-N 121.562 -0.711 . . . . 0.0 111.744 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -55.58 -31.85 62.55 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 127.05 2.14 . . . . 0.0 114.774 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.258 60.7 m-20 -88.85 -38.57 14.49 Favored 'General case' 0 CA--C 1.579 2.062 0 O-C-N 126.257 2.223 . . . . 0.0 113.804 176.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.61 -24.34 67.53 Favored 'General case' 0 CA--C 1.576 1.978 0 O-C-N 126.63 2.456 . . . . 0.0 115.852 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.23 -21.41 61.78 Favored 'General case' 0 N--CA 1.52 3.027 0 O-C-N 117.837 -3.04 . . . . 0.0 116.15 160.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.5 m -79.24 148.59 32.15 Favored 'General case' 0 N--CA 1.395 -3.213 0 O-C-N 116.968 -3.583 . . . . 0.0 110.313 -168.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -68.24 146.63 98.09 Favored Pre-proline 1 N--CA 1.552 4.639 0 C-N-CA 115.295 -2.562 . . . . 0.0 116.068 168.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.6 152.87 80.49 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 125.116 3.877 . . . . 0.0 110.614 169.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.42 -174.59 48.6 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 125.465 1.507 . . . . 0.0 115.827 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -67.8 164.59 30.89 Favored 'Trans proline' 0 N--CA 1.517 2.882 0 C-N-CA 122.817 2.345 . . . . 0.0 113.931 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 170.76 28.38 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.406 -1.27 . . . . 0.0 114.633 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.252 52.2 mt -56.19 173.37 0.17 Allowed 'General case' 0 C--N 1.381 1.968 0 CA-C-N 118.223 1.012 . . . . 0.0 113.378 159.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.66 175.37 18.69 Favored Glycine 0 C--O 1.195 -2.331 0 O-C-N 124.465 1.103 . . . . 0.0 115.467 165.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.22 -17.84 41.42 Favored 'Trans proline' 0 N--CA 1.532 3.751 0 C-N-CA 123.654 2.903 . . . . 0.0 113.573 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -79.26 -16.33 56.62 Favored 'General case' 0 N--CA 1.521 3.108 0 CA-C-N 124.778 3.444 . . . . 0.0 110.558 -174.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -84.04 -7.66 59.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -91.8 168.69 11.27 Favored 'General case' 0 CA--C 1.588 2.427 0 O-C-N 120.62 -1.3 . . . . 0.0 111.591 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.35 131.31 53.02 Favored 'General case' 0 N--CA 1.519 2.996 0 O-C-N 118.929 -2.357 . . . . 0.0 113.265 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -91.81 145.94 24.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 116.491 -3.881 . . . . 0.0 110.345 -169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.48 129.9 42.14 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 129.338 3.055 . . . . 0.0 104.936 -173.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -104.45 125.73 50.91 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 115.05 -2.405 . . . . 0.0 114.925 169.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 -141.02 126.61 18.91 Favored 'General case' 0 C--O 1.203 -1.379 0 O-C-N 128.589 3.681 . . . . 0.0 112.39 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.76 149.41 48.0 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 128.505 3.628 . . . . 0.0 113.249 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.8 t -130.98 58.0 1.73 Allowed 'General case' 0 C--N 1.266 -3.024 1 C-N-CA 132.042 4.137 . . . . 0.0 111.016 -170.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.56 143.46 98.18 Favored Pre-proline 0 C--O 1.273 2.321 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.51 103.1 1.24 Allowed 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 125.235 3.957 . . . . 0.0 108.712 -158.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.85 150.73 5.28 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -139.17 71.2 1.38 Allowed 'General case' 0 C--O 1.177 -2.713 0 CA-C-O 123.666 1.698 . . . . 0.0 113.765 -165.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -133.36 121.6 22.58 Favored 'General case' 0 CA--C 1.614 3.427 0 CA-C-N 110.146 -3.206 . . . . 0.0 114.333 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . 0.35 17.0 p30 -62.81 -1.31 0.84 Allowed 'General case' 0 CA--C 1.6 2.872 1 O-C-N 130.736 5.022 . . . . 0.0 117.968 -176.04 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -62.68 -4.47 2.05 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-O 116.632 -1.652 . . . . 0.0 111.677 160.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.5 p -52.29 -30.03 26.06 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.428 2.381 . . . . 0.0 117.428 161.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.29 60.5 m-85 -67.86 -31.55 71.45 Favored 'General case' 0 N--CA 1.395 -3.211 1 O-C-N 116.101 -4.124 . . . . 0.0 117.046 176.549 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.345 22.0 ttp -67.74 -50.99 54.37 Favored 'General case' 0 C--N 1.319 -0.727 1 C-N-CA 134.887 5.275 . . . . 0.0 108.569 170.754 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.59 71.0 m-85 -46.08 -41.2 11.91 Favored 'General case' 0 C--O 1.167 -3.261 0 CA-C-O 123.663 1.697 . . . . 0.0 115.452 160.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.254 33.2 mt -73.39 -20.17 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.307 0 CA-C-O 116.347 -1.787 . . . . 0.0 110.992 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.24 -54.73 7.11 Favored 'General case' 0 C--O 1.201 -1.47 0 CA-C-N 120.982 1.719 . . . . 0.0 107.394 170.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.451 53.6 m-85 -54.8 -21.83 12.44 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 128.266 3.479 . . . . 0.0 117.552 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.424 0.4 OUTLIER -73.93 -41.0 53.27 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 128.367 2.667 . . . . 0.0 110.434 174.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 tpp -66.69 -33.16 75.03 Favored 'General case' 0 CA--C 1.477 -1.851 0 O-C-N 120.831 -1.168 . . . . 0.0 113.928 172.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.419 32.9 m-85 -60.59 -52.24 66.01 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 161.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tp -42.14 -45.81 4.15 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 119.678 3.214 . . . . 0.0 119.678 163.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.9 -61.26 2.05 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 160.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.7 33.22 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 121.195 1.816 . . . . 0.0 114.818 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.05 -29.85 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.802 0 C-N-CA 123.947 0.899 . . . . 0.0 111.768 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -59.8 -23.84 63.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 115.573 -2.156 . . . . 0.0 116.272 157.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.339 2.9 t -68.97 -45.03 80.94 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 CA-C-N 123.129 2.695 . . . . 0.0 111.793 170.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.94 66.25 Favored Glycine 0 N--CA 1.486 2.0 0 CA-C-N 112.039 -2.346 . . . . 0.0 110.963 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -83.71 -6.94 59.56 Favored 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.296 59.1 mt -63.03 -50.99 68.51 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 124.315 2.007 . . . . 0.0 113.691 151.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -61.43 -54.74 30.96 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.013 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.11 -19.86 65.98 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 82' ' ' SER . . . -63.71 -25.2 68.78 Favored Glycine 0 CA--C 1.565 3.171 0 CA-C-O 116.587 -2.23 . . . . 0.0 114.498 163.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.296 21.4 t80 -79.16 -42.64 25.66 Favored 'General case' 0 N--CA 1.394 -3.246 1 C-N-CA 131.712 4.005 . . . . 0.0 119.105 157.961 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.355 1.8 p -95.23 -68.2 0.81 Allowed 'General case' 0 C--O 1.263 1.785 0 N-CA-C 117.97 2.581 . . . . 0.0 117.97 -171.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -100.04 20.09 15.1 Favored 'General case' 0 CA--C 1.598 2.823 0 CA-C-O 115.295 -2.288 . . . . 0.0 115.18 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.4 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 31.9 p -69.03 -4.17 15.95 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 122.395 2.361 . . . . 0.0 116.442 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -47.17 140.44 5.21 Favored 'General case' 0 C--O 1.163 -3.482 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 167.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -81.54 -32.35 32.32 Favored 'General case' 0 C--O 1.276 2.476 0 C-N-CA 128.214 2.606 . . . . 0.0 115.538 149.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.348 0.3 OUTLIER -68.41 134.93 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.909 0 CA-C-N 122.383 2.356 . . . . 0.0 113.566 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.34 175.62 10.43 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -71.09 77.26 0.68 Allowed 'General case' 0 CA--C 1.575 1.913 0 O-C-N 125.267 1.604 . . . . 0.0 113.99 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.07 -28.26 67.22 Favored 'General case' 0 CA--C 1.466 -2.285 0 CA-C-O 114.066 -2.873 . . . . 0.0 118.299 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -44.57 -37.6 3.68 Favored 'General case' 0 CA--C 1.583 2.22 1 O-C-N 129.549 4.281 . . . . 0.0 117.621 170.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.56 152.75 41.53 Favored Pre-proline 0 C--O 1.283 2.835 0 C-N-CA 130.531 3.532 . . . . 0.0 114.678 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . 0.251 93.8 Cg_endo -83.72 43.47 1.41 Allowed 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 122.882 2.388 . . . . 0.0 114.877 -171.497 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.03 -30.45 64.23 Favored 'General case' 0 C--O 1.276 2.47 0 N-CA-C 120.79 3.626 . . . . 0.0 120.79 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.412 ' HA ' HG12 ' A' ' 96' ' ' ILE . 43.9 p-80 -58.08 -26.69 62.87 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-O 115.255 -2.307 . . . . 0.0 114.525 168.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.95 -33.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 2 CA-C-N 128.648 5.204 . . . . 0.0 111.322 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.421 0.2 OUTLIER -63.43 -35.14 79.45 Favored 'General case' 0 CA--C 1.611 3.297 1 N-CA-C 124.917 5.155 . . . . 0.0 124.917 164.753 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 93' ' ' HIS . 26.5 pt -80.96 149.98 4.82 Favored 'Isoleucine or valine' 0 C--N 1.41 3.219 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.605 -171.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -121.06 166.43 13.9 Favored 'General case' 0 C--O 1.275 2.395 0 C-N-CA 126.161 1.784 . . . . 0.0 111.636 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.53 -31.88 42.15 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.55 1.14 . . . . 0.0 109.707 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -148.36 174.26 12.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 117.186 -3.446 . . . . 0.0 112.905 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . 0.425 1.9 m -66.76 158.59 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.875 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 153.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -118.26 153.8 33.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 125.882 1.989 . . . . 0.0 112.271 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.4 tpp -75.52 156.47 35.09 Favored 'General case' 0 C--N 1.263 -3.174 0 C-N-CA 127.926 2.49 . . . . 0.0 117.236 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.338 9.1 tt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 124.75 1.281 . . . . 0.0 110.024 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 C--O 1.197 -1.71 0 CA-C-O 116.408 -1.758 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -98.33 146.03 26.09 Favored 'General case' 0 N--CA 1.52 3.07 0 CA-C-N 120.785 1.63 . . . . 0.0 114.543 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 t -133.67 145.77 50.24 Favored 'General case' 0 CA--C 1.463 -2.376 0 CA-C-O 127.846 3.688 . . . . 0.0 116.441 158.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.355 1.5 p -141.65 163.93 31.59 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 127.972 2.509 . . . . 0.0 109.086 176.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.312 63.1 t30 -64.45 141.43 58.77 Favored 'General case' 0 C--O 1.267 2.026 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.06 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.67 -160.92 23.59 Favored Glycine 0 C--O 1.198 -2.097 0 CA-C-O 113.488 -3.951 . . . . 0.0 109.68 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.09 170.66 14.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 126.679 2.047 . . . . 0.0 114.243 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -62.74 -27.02 68.99 Favored 'General case' 0 CA--C 1.612 3.337 0 C-N-CA 117.6 -1.64 . . . . 0.0 110.715 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.319 3.8 p -71.41 -33.76 69.75 Favored 'General case' 1 N--CA 1.543 4.217 0 O-C-N 119.641 -1.912 . . . . 0.0 112.781 177.617 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -40.46 97.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 125.838 1.961 . . . . 0.0 113.747 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.428 34.9 m-85 -60.01 -30.8 69.39 Favored 'General case' 1 N--CA 1.539 4.015 0 O-C-N 127.954 3.284 . . . . 0.0 116.924 166.688 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -88.81 -11.71 44.05 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 173.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.5 m -82.95 -36.82 24.85 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 115.213 -2.327 . . . . 0.0 106.643 168.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.87 -34.29 74.39 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 121.125 1.784 . . . . 0.0 110.055 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.14 -40.88 97.11 Favored 'General case' 0 CA--C 1.464 -2.34 0 O-C-N 124.998 1.436 . . . . 0.0 110.517 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -28.79 68.42 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 116.601 2.074 . . . . 0.0 116.601 170.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.35 -43.36 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 125.127 1.371 . . . . 0.0 112.832 171.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.23 -30.2 70.3 Favored 'General case' 0 N--CA 1.398 -3.039 0 O-C-N 118.738 -2.476 . . . . 0.0 114.261 170.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.34 92.23 Favored 'General case' 0 CA--C 1.474 -1.972 0 O-C-N 119.162 -2.211 . . . . 0.0 115.661 169.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 -46.76 72.3 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.126 -2.306 . . . . 0.0 108.005 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.3 -47.1 74.72 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 120.988 1.722 . . . . 0.0 115.324 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.263 77.2 m-20 -65.59 -23.63 66.88 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 121.814 2.097 . . . . 0.0 113.073 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.59 46.94 Favored 'General case' 0 N--CA 1.538 3.93 0 C-N-CA 127.676 2.391 . . . . 0.0 116.342 166.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -57.79 -30.9 66.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 114.549 -2.644 . . . . 0.0 113.866 163.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.13 -35.93 61.66 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 128.091 3.369 . . . . 0.0 112.35 166.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.18 -25.8 62.68 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 117.478 -3.264 . . . . 0.0 113.536 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -81.45 -43.15 19.3 Favored 'General case' 0 N--CA 1.427 -1.603 0 O-C-N 118.24 -2.788 . . . . 0.0 107.178 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -55.28 -43.47 74.78 Favored 'General case' 0 CA--C 1.465 -2.314 0 N-CA-C 119.24 3.052 . . . . 0.0 119.24 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.64 -25.66 54.01 Favored 'General case' 0 C--N 1.275 -2.64 0 C-N-CA 129.21 3.004 . . . . 0.0 117.781 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -105.67 -23.18 12.8 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 117.655 -3.153 . . . . 0.0 112.286 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 t -57.82 148.17 26.06 Favored 'General case' 0 C--O 1.26 1.623 0 C-N-CA 124.252 1.021 . . . . 0.0 110.105 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.97 108.18 11.75 Favored Pre-proline 0 N--CA 1.518 2.951 1 C-N-CA 135.023 5.329 . . . . 0.0 104.804 -167.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.0 -175.88 0.14 Allowed 'Trans proline' 0 CA--C 1.572 2.397 0 O-C-N 118.233 -1.509 . . . . 0.0 112.788 167.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.58 160.86 31.3 Favored Glycine 0 CA--C 1.475 -2.462 0 C-N-CA 118.149 -1.977 . . . . 0.0 109.239 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -53.63 150.28 28.84 Favored 'Trans proline' 0 N--CA 1.428 -2.378 0 C-N-CA 124.524 3.483 . . . . 0.0 111.702 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.47 178.67 16.34 Favored Glycine 0 C--O 1.284 3.231 0 O-C-N 120.342 -1.474 . . . . 0.0 116.267 161.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 tp -79.53 -47.17 16.01 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.228 2.514 . . . . 0.0 115.833 -172.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.78 -164.18 10.62 Favored Glycine 0 CA--C 1.573 3.712 0 CA-C-N 125.213 3.642 . . . . 0.0 121.125 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.71 166.81 13.36 Favored 'Trans proline' 0 CA--C 1.57 2.29 0 C-N-CA 121.516 1.478 . . . . 0.0 114.538 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.354 73.4 m-20 -71.27 -5.39 31.85 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 129.003 2.921 . . . . 0.0 115.961 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -86.42 -17.69 33.68 Favored 'General case' 1 N--CA 1.358 -5.032 0 O-C-N 125.659 1.849 . . . . 0.0 110.965 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.7 155.8 1.56 Allowed 'General case' 0 CA--C 1.59 2.493 0 CA-C-O 115.422 -2.228 . . . . 0.0 109.959 163.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.389 0.1 OUTLIER -132.84 149.4 52.27 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 120.159 3.392 . . . . 0.0 120.159 178.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.342 2.4 pt-20 -150.65 68.37 0.96 Allowed 'General case' 0 N--CA 1.518 2.956 0 O-C-N 118.608 -2.558 . . . . 0.0 107.345 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.01 165.11 23.8 Favored 'General case' 0 C--O 1.263 1.771 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.259 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.51 177.53 8.89 Favored 'General case' 0 CA--C 1.588 2.415 0 O-C-N 116.789 -3.694 . . . . 0.0 108.95 165.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -57.47 160.25 4.28 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 127.921 3.263 . . . . 0.0 115.688 167.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.0 160.1 0.78 Allowed 'General case' 0 N--CA 1.52 3.05 0 O-C-N 125.411 1.694 . . . . 0.0 114.815 -171.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.97 91.62 2.53 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.022 1.451 . . . . 0.0 110.593 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.9 127.51 74.55 Favored Pre-proline 0 CA--C 1.58 2.111 0 C-N-CA 125.431 1.492 . . . . 0.0 109.414 161.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.19 122.08 11.17 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 123.733 2.956 . . . . 0.0 113.787 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.85 129.92 1.3 Allowed Glycine 0 C--O 1.247 0.934 0 O-C-N 119.028 -2.295 . . . . 0.0 109.437 -166.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -161.02 100.28 1.24 Allowed 'General case' 0 N--CA 1.388 -3.545 0 CA-C-N 111.291 -2.454 . . . . 0.0 107.987 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -153.5 117.53 4.8 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.119 -1.613 . . . . 0.0 113.836 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -56.94 -3.86 0.14 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 129.891 3.276 . . . . 0.0 115.222 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -73.39 -9.26 58.51 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 117.165 -3.459 . . . . 0.0 111.511 166.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -52.32 -23.12 5.31 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 127.041 2.136 . . . . 0.0 110.372 163.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -80.18 -21.65 42.77 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 119.843 3.275 . . . . 0.0 119.843 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.1 ttm -74.69 -30.24 61.49 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 127.012 2.125 . . . . 0.0 109.876 162.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 36.1 t80 -57.96 -46.58 84.89 Favored 'General case' 0 N--CA 1.419 -2.004 0 C-N-CA 115.74 -2.384 . . . . 0.0 114.367 157.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.386 33.9 mm -51.01 -37.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 171.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.25 -42.54 36.81 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 119.486 -2.009 . . . . 0.0 113.753 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -60.66 -27.88 68.17 Favored 'General case' 1 C--O 1.323 4.959 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 170.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -13.57 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.0 mtm -64.89 -37.28 87.11 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-O 124.243 1.973 . . . . 0.0 108.553 152.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.321 42.3 t80 -70.2 -42.7 72.0 Favored 'General case' 0 C--O 1.271 2.191 0 C-N-CA 116.52 -2.072 . . . . 0.0 115.539 171.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.62 -27.3 66.78 Favored 'General case' 0 C--O 1.278 2.579 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.653 2.6 t80 -43.1 -60.51 1.62 Allowed 'General case' 0 CA--C 1.485 -1.552 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 159.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.6 -25.84 63.23 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.208 -1.557 . . . . 0.0 111.092 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.18 -39.13 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 C-N-CA 129.292 3.037 . . . . 0.0 105.908 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.295 12.5 m -64.36 -37.05 86.16 Favored 'General case' 0 C--O 1.172 -3.024 1 CA-C-O 111.587 -4.054 . . . . 0.0 112.54 168.56 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.251 39.6 t -52.04 -52.48 23.39 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-N 122.422 2.374 . . . . 0.0 113.236 168.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.85 -21.24 73.1 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-O 114.462 -3.41 . . . . 0.0 113.429 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 m -72.57 -40.2 66.8 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 129.106 2.963 . . . . 0.0 107.542 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.277 47.9 tp -65.59 -33.54 76.14 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 124.453 2.073 . . . . 0.0 116.24 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.37 -48.02 82.21 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 118.646 -2.534 . . . . 0.0 106.91 168.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.37 -24.1 67.15 Favored 'General case' 0 N--CA 1.524 3.228 0 O-C-N 116.961 -3.587 . . . . 0.0 109.389 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.22 -43.52 38.78 Favored Glycine 0 N--CA 1.402 -3.597 0 C-N-CA 127.826 2.632 . . . . 0.0 108.937 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -50.16 -41.64 49.54 Favored 'General case' 0 C--O 1.26 1.618 1 CA-C-N 124.576 4.188 . . . . 0.0 114.348 165.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.314 0.2 OUTLIER -72.53 -28.26 62.75 Favored 'General case' 0 CA--C 1.573 1.856 1 C-N-CA 132.539 4.335 . . . . 0.0 112.096 174.61 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -136.08 -51.66 0.72 Allowed 'General case' 0 C--O 1.162 -3.53 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -164.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.4 m -69.31 -36.43 76.98 Favored 'General case' 0 C--O 1.272 2.268 0 CA-C-O 115.398 -2.239 . . . . 0.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -54.6 138.61 40.77 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 103.074 -2.935 . . . . 0.0 103.074 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -71.35 -3.46 20.83 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 117.718 -3.114 . . . . 0.0 113.689 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 m -132.21 153.19 37.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 127.658 2.383 . . . . 0.0 113.812 169.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.26 167.77 26.81 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 124.593 1.157 . . . . 0.0 110.119 -172.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -134.89 70.31 1.44 Allowed 'General case' 0 C--N 1.405 3.007 0 C-N-CA 125.689 1.596 . . . . 0.0 109.671 164.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -63.14 -57.29 11.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 127.058 2.143 . . . . 0.0 111.538 -161.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -71.24 138.93 49.84 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.574 1.15 . . . . 0.0 112.275 165.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 14.6 m-20 -143.68 157.3 58.85 Favored Pre-proline 0 CA--C 1.607 3.142 0 N-CA-C 119.279 3.066 . . . . 0.0 119.279 147.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . 0.25 31.0 Cg_endo -56.65 -29.56 80.17 Favored 'Trans proline' 0 N--CA 1.515 2.79 0 C-N-CA 123.525 2.817 . . . . 0.0 115.614 -173.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 90' ' ' ASP 0.287 22.8 p90 -60.4 -20.31 59.17 Favored 'General case' 0 CA--C 1.462 -2.416 0 C-N-CA 125.915 1.686 . . . . 0.0 115.384 171.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -98.35 -49.47 4.67 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 119.648 -1.908 . . . . 0.0 109.615 162.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.86 -36.39 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.35 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.976 -165.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.547 96.1 m-85 -59.65 -13.23 8.85 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 166.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.4 109.97 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.315 0 O-C-N 119.38 -2.075 . . . . 0.0 112.422 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.18 -43.02 99.41 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.831 2.052 . . . . 0.0 115.768 170.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.95 -10.34 3.99 Favored 'General case' 0 N--CA 1.388 -3.563 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -82.14 127.82 33.52 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 126.834 2.054 . . . . 0.0 110.544 -164.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.1 m -97.66 -35.54 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.806 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.37 80.0 p -81.85 164.02 21.9 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -80.94 141.27 34.67 Favored 'General case' 0 C--O 1.265 1.905 0 O-C-N 121.106 -0.996 . . . . 0.0 110.117 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.509 2.478 0 C-N-CA 130.17 3.388 . . . . 0.0 113.345 164.299 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.414 -2.232 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -87.0 139.69 30.32 Favored 'General case' 0 C--N 1.398 2.684 0 C-N-CA 126.536 1.934 . . . . 0.0 108.782 163.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -105.7 143.0 34.47 Favored 'General case' 1 N--CA 1.54 4.042 0 C-N-CA 129.176 2.99 . . . . 0.0 106.839 169.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -150.52 144.97 25.68 Favored 'General case' 0 CA--C 1.584 2.274 0 C-N-CA 127.795 2.438 . . . . 0.0 115.048 171.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.25 166.05 22.57 Favored 'General case' 0 C--O 1.253 1.266 0 O-C-N 118.958 -2.339 . . . . 0.0 110.463 -172.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.05 121.33 11.56 Favored Glycine 0 C--O 1.214 -1.131 0 C-N-CA 127.808 2.623 . . . . 0.0 108.123 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -20.69 66.07 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 115.876 -2.011 . . . . 0.0 112.609 -170.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -65.09 -26.76 68.36 Favored 'General case' 0 CA--C 1.579 2.061 0 C-N-CA 127.515 2.326 . . . . 0.0 111.444 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 p -73.22 -42.95 62.04 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 118.778 -2.451 . . . . 0.0 111.208 169.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.317 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.458 15.1 t80 -47.08 -36.27 7.98 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 122.616 2.462 . . . . 0.0 116.868 165.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -71.97 -28.27 63.32 Favored 'General case' 0 N--CA 1.538 3.95 0 O-C-N 120.699 -1.251 . . . . 0.0 112.576 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 p -82.72 -39.25 22.18 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 119.203 -2.186 . . . . 0.0 109.463 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.64 -25.82 60.71 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.682 -1.261 . . . . 0.0 113.596 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.291 10.6 m-70 -91.25 -35.01 14.74 Favored 'General case' 0 N--CA 1.53 3.568 0 O-C-N 119.586 -1.946 . . . . 0.0 110.579 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.76 -47.9 59.39 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 159.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -33.66 64.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 O-C-N 124.15 0.906 . . . . 0.0 113.2 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.07 -41.97 97.14 Favored 'General case' 0 CA--C 1.575 1.914 0 O-C-N 118.958 -2.339 . . . . 0.0 110.027 172.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -71.17 -29.71 65.54 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.024 -1.047 . . . . 0.0 112.976 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.11 46.66 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.28 -53.13 21.32 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.604 165.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.252 98.0 m-20 -60.76 -21.43 63.01 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 174.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.68 18.22 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.325 0.8 OUTLIER -104.05 -15.61 15.53 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 120.354 3.464 . . . . 0.0 120.354 166.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.94 -25.52 67.65 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 123.724 1.726 . . . . 0.0 111.777 168.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -121.54 32.3 5.95 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 130.427 3.491 . . . . 0.0 114.465 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 p -62.9 -28.52 70.11 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 116.35 -3.968 . . . . 0.0 117.749 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -46.48 -23.3 0.36 Allowed 'General case' 0 C--N 1.367 1.348 0 CA-C-O 114.567 -2.635 . . . . 0.0 113.39 166.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.95 -54.42 5.82 Favored 'General case' 0 C--O 1.262 1.725 0 CA-C-O 113.453 -3.165 . . . . 0.0 110.033 -170.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -135.01 6.38 3.37 Favored 'General case' 0 CA--C 1.593 2.619 0 CA-C-N 120.985 1.72 . . . . 0.0 111.606 -171.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.8 t -121.79 28.51 7.59 Favored 'General case' 0 C--O 1.257 1.451 0 C-N-CA 131.337 3.855 . . . . 0.0 112.233 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -83.51 139.42 41.26 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 117.324 -3.36 . . . . 0.0 114.383 167.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.95 154.02 10.92 Favored 'Trans proline' 0 CA--C 1.576 2.586 0 C-N-CA 123.607 2.872 . . . . 0.0 117.208 171.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.56 165.88 18.13 Favored Glycine 0 CA--C 1.559 2.815 1 O-C-N 129.648 4.343 . . . . 0.0 115.376 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.326 39.4 Cg_exo -64.7 146.89 89.49 Favored 'Trans proline' 0 C--O 1.261 1.629 0 C-N-CA 123.068 2.512 . . . . 0.0 112.373 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.9 -173.35 46.14 Favored Glycine 0 C--N 1.383 3.189 0 CA-C-O 117.461 -1.744 . . . . 0.0 115.227 165.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.64 -15.46 63.53 Favored 'General case' 1 N--CA 1.374 -4.23 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 164.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.59 -179.34 47.32 Favored Glycine 0 CA--C 1.565 3.218 1 CA-C-O 112.197 -4.668 . . . . 0.0 118.425 -171.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.1 154.13 62.44 Favored 'Trans proline' 0 CA--C 1.585 3.069 0 O-C-N 128.352 3.817 . . . . 0.0 118.228 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -63.83 -27.51 69.22 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -59.04 -17.93 30.05 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 113.967 -2.921 . . . . 0.0 114.989 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -151.12 20.48 0.76 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.448 1.931 . . . . 0.0 111.679 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.32 0.3 OUTLIER -138.91 147.08 41.86 Favored 'General case' 0 N--CA 1.484 1.272 1 C-N-CA 131.738 4.015 . . . . 0.0 120.582 -177.761 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -106.13 165.51 11.18 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 167.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.296 2.8 tp10 -81.27 139.34 35.5 Favored 'General case' 0 C--O 1.278 2.601 0 O-C-N 119.404 -2.06 . . . . 0.0 108.675 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.49 160.24 20.58 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 124.87 1.356 . . . . 0.0 113.539 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.272 20.8 ttm180 -65.24 127.3 31.14 Favored 'General case' 0 CA--C 1.473 -1.981 0 CA-C-O 115.251 -2.309 . . . . 0.0 110.171 170.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.88 173.04 5.7 Favored 'General case' 0 CA--C 1.582 2.193 1 CA-C-N 126.38 4.173 . . . . 0.0 109.539 -165.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -78.53 48.69 0.8 Allowed 'General case' 0 N--CA 1.51 2.526 0 C-N-CA 131.465 3.906 . . . . 0.0 115.701 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 mt -82.47 125.31 76.6 Favored Pre-proline 0 C--O 1.208 -1.083 2 CA-C-N 107.958 -4.201 . . . . 0.0 107.0 -173.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -79.78 114.64 3.22 Favored 'Trans proline' 0 N--CA 1.487 1.093 0 CA-C-N 122.86 2.057 . . . . 0.0 110.519 -171.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.06 51.64 0.27 Allowed Glycine 1 N--CA 1.542 5.719 0 CA-C-N 121.697 2.044 . . . . 0.0 109.51 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -116.55 -39.85 3.28 Favored 'General case' 0 C--O 1.303 3.902 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -166.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.33 149.41 48.25 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 126.878 2.071 . . . . 0.0 113.762 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -60.17 -31.27 69.96 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 -159.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.269 25.5 t-20 -65.11 -42.25 94.12 Favored 'General case' 0 C--O 1.175 -2.856 0 CA-C-O 127.055 3.312 . . . . 0.0 114.017 164.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 m -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.299 -1.626 1 O-C-N 115.634 -4.416 . . . . 0.0 109.352 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.272 65.8 t80 -64.71 -34.66 78.83 Favored 'General case' 0 C--O 1.186 -2.275 0 CA-C-N 119.294 0.952 . . . . 0.0 111.621 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 tpp -71.6 -38.83 70.82 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 125.649 2.643 . . . . 0.0 109.084 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.281 54.4 m-85 -54.75 -39.44 68.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 118.401 -2.687 . . . . 0.0 110.426 160.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -70.9 -27.61 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 2 O-C-N 114.601 -5.062 . . . . 0.0 114.351 173.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.03 -37.85 88.96 Favored 'General case' 0 CA--C 1.592 2.567 0 CA-C-O 125.108 2.385 . . . . 0.0 113.698 166.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.294 65.7 m-85 -59.84 -28.98 67.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.778 -1.826 . . . . 0.0 115.112 160.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.6 -38.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 116.705 -3.747 . . . . 0.0 107.774 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.05 -45.84 83.69 Favored 'General case' 0 C--N 1.4 2.765 0 O-C-N 119.647 -1.908 . . . . 0.0 110.102 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.294 10.0 t80 -54.93 -49.86 70.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 166.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.275 60.8 tp -74.59 -19.88 60.14 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-O 114.884 -2.484 . . . . 0.0 106.652 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.276 36.9 t80 -55.13 -48.72 73.27 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 125.618 1.824 . . . . 0.0 115.682 162.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.87 -50.27 46.31 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 123.367 1.556 . . . . 0.0 113.524 173.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.89 -43.8 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.659 2.171 . . . . 0.0 111.333 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -57.94 -33.56 68.94 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 114.664 -2.589 . . . . 0.0 110.311 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.19 -51.84 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 CA-C-N 125.599 3.818 . . . . 0.0 109.581 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.9 3.14 Favored Glycine 0 N--CA 1.515 3.959 0 O-C-N 126.839 2.587 . . . . 0.0 116.616 162.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.8 m -73.88 -22.8 59.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -168.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.1 tp -78.67 -27.78 45.24 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 120.702 -1.249 . . . . 0.0 114.34 166.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.13 -54.88 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 171.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.84 -23.06 62.26 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.0 -46.25 82.39 Favored Glycine 0 C--O 1.18 -3.256 0 C-N-CA 127.569 2.509 . . . . 0.0 113.921 164.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.469 52.5 m-85 -60.61 -28.2 68.34 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 171.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -9.88 31.89 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 128.23 2.612 . . . . 0.0 117.85 164.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . 0.272 68.3 mtt85 -130.5 -53.79 1.09 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 129.732 3.213 . . . . 0.0 111.33 -172.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -57.58 -44.74 85.57 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 122.733 2.515 . . . . 0.0 107.762 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -71.0 126.4 29.46 Favored 'General case' 0 C--O 1.265 1.91 0 CA-C-O 117.609 -1.186 . . . . 0.0 112.517 157.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -65.88 -23.71 66.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 120.928 3.677 . . . . 0.0 120.928 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.364 0.5 OUTLIER -83.11 138.72 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 118.551 2.797 . . . . 0.0 118.551 -163.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.23 171.75 12.49 Favored 'General case' 0 CA--C 1.464 -2.343 0 C-N-CA 129.068 2.947 . . . . 0.0 109.597 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -78.55 123.65 27.3 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 120.091 -1.631 . . . . 0.0 111.159 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . 0.328 86.5 mtm-85 -151.42 -31.43 0.16 Allowed 'General case' 0 N--CA 1.534 3.76 0 C-N-CA 125.798 1.639 . . . . 0.0 111.459 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 p -77.56 141.22 39.67 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 124.444 2.068 . . . . 0.0 114.916 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -46.67 140.55 5.82 Favored Pre-proline 0 CA--C 1.573 1.856 0 CA-C-N 112.838 -1.983 . . . . 0.0 113.145 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.01 -22.31 62.58 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 115.948 -2.235 . . . . 0.0 114.427 -173.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -125.76 -0.57 7.36 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -167.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -36.98 28.19 Favored 'General case' 0 N--CA 1.416 -2.132 0 O-C-N 124.875 1.359 . . . . 0.0 114.608 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.268 0.5 OUTLIER -67.58 -21.89 27.97 Favored 'Isoleucine or valine' 0 C--N 1.413 3.342 0 O-C-N 120.243 -1.535 . . . . 0.0 112.72 178.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.479 ' CD2' HG22 ' A' ' 96' ' ' ILE 0.271 12.7 t80 -87.88 -29.21 21.05 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 117.585 2.439 . . . . 0.0 117.585 -177.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 95' ' ' TYR 0.329 3.4 tt -145.85 120.76 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.678 0 C-N-CA 126.219 1.808 . . . . 0.0 111.793 176.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.56 -38.6 90.71 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 128.062 2.545 . . . . 0.0 111.555 -173.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.57 26.31 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 122.533 2.424 . . . . 0.0 117.135 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -114.87 133.1 56.25 Favored 'General case' 0 C--O 1.209 -1.075 1 O-C-N 116.168 -4.083 . . . . 0.0 114.602 173.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.41 122.25 38.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 C-N-CA 131.573 3.949 . . . . 0.0 105.703 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.269 42.8 t -122.6 139.22 54.17 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -170.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.1 ttp -71.6 144.4 49.49 Favored 'General case' 0 C--O 1.274 2.365 0 O-C-N 116.478 -3.889 . . . . 0.0 112.342 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.9 mm . . . . . 0 C--O 1.248 1.005 0 C-N-CA 128.985 2.914 . . . . 0.0 106.983 -172.737 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 C--O 1.202 -1.426 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -82.8 147.56 28.31 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 169.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -77.77 -24.55 48.9 Favored 'General case' 0 N--CA 1.478 0.949 1 O-C-N 115.76 -4.337 . . . . 0.0 116.805 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.311 2.8 m -77.24 78.9 3.76 Favored 'General case' 0 N--CA 1.521 3.111 0 CA-C-N 121.045 1.748 . . . . 0.0 111.199 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -149.1 172.81 14.19 Favored 'General case' 0 C--N 1.366 1.318 0 O-C-N 126.343 2.277 . . . . 0.0 111.994 -172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.17 -177.59 15.0 Favored Glycine 0 C--O 1.277 2.826 0 C-N-CA 124.572 1.082 . . . . 0.0 113.225 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.376 0.8 OUTLIER -122.35 162.58 21.3 Favored 'General case' 0 C--O 1.274 2.376 0 C-N-CA 128.708 2.803 . . . . 0.0 115.795 178.129 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 5.3 tm-20 -69.18 -42.53 75.73 Favored 'General case' 0 C--O 1.272 2.248 0 O-C-N 117.284 -3.385 . . . . 0.0 109.74 172.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.311 0.5 OUTLIER -60.01 -40.73 90.28 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 172.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -51.34 -46.3 62.6 Favored 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.07 -2.894 . . . . 0.0 116.456 159.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.261 13.9 t80 -59.94 -44.76 94.18 Favored 'General case' 0 C--N 1.393 2.468 0 O-C-N 125.381 1.676 . . . . 0.0 114.741 172.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.2 -34.09 70.54 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 120.468 -1.395 . . . . 0.0 109.093 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -66.12 -42.09 89.62 Favored 'General case' 0 N--CA 1.425 -1.688 0 O-C-N 120.348 -1.47 . . . . 0.0 114.605 168.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.75 -29.71 63.55 Favored 'General case' 0 C--O 1.174 -2.882 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -57.95 -56.64 19.34 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 127.705 2.402 . . . . 0.0 110.976 165.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.6 90.92 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 126.639 1.976 . . . . 0.0 109.409 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.328 1.3 p -70.96 -20.0 21.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 123.928 3.058 . . . . 0.0 114.807 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.85 -39.19 18.58 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 122.095 2.225 . . . . 0.0 115.762 169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -53.43 -46.77 69.95 Favored 'General case' 0 N--CA 1.531 3.579 0 O-C-N 119.725 -1.859 . . . . 0.0 107.356 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.12 72.98 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.183 1.793 . . . . 0.0 114.441 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.68 -55.56 21.76 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.576 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -61.58 -30.79 70.9 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -31.47 63.06 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.426 2.2 m -52.03 -42.28 62.94 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 128.312 2.645 . . . . 0.0 112.037 155.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.87 -40.59 79.18 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 125.366 2.507 . . . . 0.0 112.37 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.97 -49.06 74.02 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.219 -3.426 . . . . 0.0 109.771 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p -56.77 -44.26 81.62 Favored 'General case' 0 C--O 1.191 -2.0 0 O-C-N 124.985 1.428 . . . . 0.0 110.775 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -66.61 -39.92 88.59 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 112.716 -2.038 . . . . 0.0 114.229 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.75 -19.38 63.91 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 118.996 2.962 . . . . 0.0 118.996 164.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.4 mt -92.25 16.53 11.33 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 119.058 -2.276 . . . . 0.0 111.122 172.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 126.63 31.35 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 117.109 -3.494 . . . . 0.0 116.33 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.6 147.92 53.95 Favored Pre-proline 0 N--CA 1.425 -1.723 0 C-N-CA 126.432 1.893 . . . . 0.0 112.839 -170.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -75.35 170.14 20.96 Favored 'Trans proline' 0 N--CA 1.422 -2.712 0 O-C-N 116.681 -2.326 . . . . 0.0 111.201 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.74 -170.94 25.49 Favored Glycine 2 CA--C 1.601 5.453 0 O-C-N 116.438 -3.914 . . . . 0.0 115.091 161.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.13 160.01 32.21 Favored 'Trans proline' 0 C--N 1.3 -1.981 1 C-N-CA 127.221 5.281 . . . . 0.0 111.43 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.87 160.55 14.75 Favored Glycine 0 C--O 1.252 1.268 0 C-N-CA 128.634 3.016 . . . . 0.0 113.45 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.291 39.2 mt -60.6 158.04 13.23 Favored 'General case' 1 N--CA 1.556 4.842 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 161.235 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.29 170.23 26.7 Favored Glycine 1 C--O 1.302 4.359 0 C-N-CA 126.907 2.194 . . . . 0.0 117.737 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -54.68 159.5 8.77 Favored 'Trans proline' 0 N--CA 1.482 0.837 0 C-N-CA 123.282 2.654 . . . . 0.0 112.51 -173.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.273 12.6 p30 -66.75 -20.39 65.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -77.86 -2.05 34.72 Favored 'General case' 0 N--CA 1.488 1.459 1 C-N-CA 132.971 4.508 . . . . 0.0 116.1 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -146.6 -4.02 0.6 Allowed 'General case' 0 CA--C 1.461 -2.445 0 C-N-CA 128.237 2.615 . . . . 0.0 115.988 172.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.253 2.1 m -125.98 134.22 51.56 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 117.342 -3.349 . . . . 0.0 112.267 -175.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.68 83.57 4.83 Favored 'General case' 0 CA--C 1.605 3.076 0 O-C-N 119.581 -1.949 . . . . 0.0 114.134 -169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 160.9 5.31 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 127.293 3.425 . . . . 0.0 110.524 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.57 155.07 21.87 Favored 'General case' 0 C--N 1.374 1.649 0 O-C-N 116.927 -3.608 . . . . 0.0 107.488 -173.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -173.11 166.76 4.96 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 116.679 -3.763 . . . . 0.0 109.741 149.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.38 156.95 37.82 Favored 'General case' 0 N--CA 1.414 -2.258 0 C-N-CA 126.071 1.748 . . . . 0.0 108.876 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 p -159.76 -16.34 0.06 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 119.371 3.1 . . . . 0.0 119.371 168.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.9 mt 53.79 40.78 0.79 Allowed Pre-proline 0 CA--C 1.579 2.09 1 C-N-CA 133.84 4.856 . . . . 0.0 120.976 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.64 168.95 23.1 Favored 'Trans proline' 0 N--CA 1.426 -2.448 0 N-CA-C 118.572 2.489 . . . . 0.0 118.572 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.38 171.73 43.59 Favored Glycine 0 CA--C 1.546 2.022 0 O-C-N 125.423 1.702 . . . . 0.0 115.856 156.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.14 139.97 49.88 Favored 'General case' 0 N--CA 1.425 -1.701 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 -174.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -162.65 119.67 1.98 Allowed 'General case' 0 C--O 1.277 2.524 0 O-C-N 125.504 1.753 . . . . 0.0 108.986 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -77.93 -7.99 57.5 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 112.83 -1.986 . . . . 0.0 112.504 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -86.2 -38.15 17.95 Favored 'General case' 0 C--O 1.165 -3.393 0 CA-C-O 115.93 -1.986 . . . . 0.0 106.605 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m -69.24 -41.44 76.97 Favored 'General case' 0 C--O 1.203 -1.366 0 C-N-CA 129.326 3.05 . . . . 0.0 108.265 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.92 -35.31 80.75 Favored 'General case' 0 N--CA 1.52 3.069 0 O-C-N 120.668 -1.27 . . . . 0.0 112.051 169.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.6 ttp -70.56 -35.74 73.24 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 128.61 2.764 . . . . 0.0 109.292 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 3.9 m-85 -73.37 -17.0 61.33 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 172.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.9 mt -82.5 -25.31 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 125.904 2.003 . . . . 0.0 115.574 169.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.11 -51.15 67.69 Favored 'General case' 0 C--O 1.185 -2.331 0 CA-C-O 123.748 1.737 . . . . 0.0 108.972 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.552 24.8 t80 -52.96 -26.75 16.13 Favored 'General case' 0 C--O 1.282 2.767 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 160.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.471 0.3 OUTLIER -77.48 -31.9 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.921 0 N-CA-C 119.779 3.252 . . . . 0.0 119.779 164.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.7 -24.85 63.64 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 125.496 2.57 . . . . 0.0 111.435 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.345 72.6 t80 -61.69 -71.73 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 162.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.86 -32.94 2.87 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 125.189 2.423 . . . . 0.0 116.121 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.36 -57.77 10.85 Favored 'General case' 0 CA--C 1.603 2.994 0 CA-C-N 112.645 -2.07 . . . . 0.0 115.411 169.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.96 64.8 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 120.325 1.42 . . . . 0.0 114.25 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.84 -37.27 54.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-O 116.307 -1.806 . . . . 0.0 106.503 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 1.7 m -79.17 -14.3 59.18 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.4 t -72.96 -32.37 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 125.071 1.482 . . . . 0.0 108.289 162.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.72 -42.88 37.71 Favored Glycine 0 CA--C 1.573 3.685 1 O-C-N 115.896 -4.253 . . . . 0.0 108.737 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 20.0 m -64.85 -27.56 68.95 Favored 'General case' 0 CA--C 1.487 -1.476 1 CA-C-N 107.463 -4.368 . . . . 0.0 109.636 -176.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.16 -43.17 92.66 Favored 'General case' 0 C--N 1.391 2.39 0 O-C-N 120.989 -1.069 . . . . 0.0 111.955 166.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.284 27.4 mt -61.08 -51.4 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.685 0 CA-C-O 115.461 -2.209 . . . . 0.0 109.811 171.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.58 -26.46 67.12 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 123.68 1.705 . . . . 0.0 113.554 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' ' 82' ' ' SER . . . -56.01 -40.36 82.14 Favored Glycine 0 N--CA 1.479 1.558 0 CA-C-N 113.359 -1.746 . . . . 0.0 115.594 169.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -79.51 -40.21 30.18 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.4 p -81.34 -22.32 38.53 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 119.237 3.051 . . . . 0.0 119.237 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -134.78 -49.42 0.76 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 118.385 2.735 . . . . 0.0 118.385 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.4 ' HB2' ' HA2' ' A' ' 78' ' ' GLY . 18.8 m -80.21 -25.06 39.82 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -149.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -51.32 143.76 10.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -79.02 50.6 1.05 Allowed 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.101 1.905 . . . . 0.0 112.553 -166.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.19 161.34 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 128.168 2.587 . . . . 0.0 107.752 170.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.391 66.8 m-20 -77.95 149.57 34.12 Favored 'General case' 0 N--CA 1.524 3.258 0 N-CA-C 119.007 2.966 . . . . 0.0 119.007 -170.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -70.49 146.79 50.02 Favored 'General case' 0 C--O 1.201 -1.467 0 O-C-N 118.641 -2.537 . . . . 0.0 109.816 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.06 32.78 2.63 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 125.413 2.53 . . . . 0.0 116.154 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . 0.279 5.3 p -146.22 135.45 22.8 Favored 'General case' 0 N--CA 1.536 3.856 0 CA-C-N 110.466 -3.061 . . . . 0.0 114.41 -160.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -61.33 160.13 26.0 Favored Pre-proline 0 N--CA 1.506 2.347 0 O-C-N 117.742 -3.099 . . . . 0.0 116.003 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 93' ' ' HIS . 20.6 Cg_exo -61.92 -22.9 75.21 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 CA-C-O 124.584 1.827 . . . . 0.0 113.969 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.516 0.5 OUTLIER -70.62 16.89 0.07 Allowed 'General case' 0 CA--C 1.458 -2.561 0 C-N-CA 128.196 2.598 . . . . 0.0 116.756 170.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.424 ' H ' ' C ' ' A' ' 91' ' ' PRO . 28.6 p80 -42.13 -40.45 2.33 Favored 'General case' 0 C--N 1.399 2.732 0 CA-C-O 112.028 -3.844 . . . . 0.0 111.014 -165.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.42 -22.26 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.99 0 O-C-N 127.227 2.829 . . . . 0.0 110.301 -172.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -89.69 -29.39 18.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 117.691 -3.131 . . . . 0.0 113.494 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.23 124.27 14.28 Favored 'Isoleucine or valine' 0 C--O 1.168 -3.22 0 C-N-CA 126.376 1.87 . . . . 0.0 107.651 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.92 -69.91 0.22 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 119.175 -2.203 . . . . 0.0 113.54 168.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -126.49 -33.36 2.57 Favored 'General case' 0 N--CA 1.413 -2.292 1 N-CA-C 123.067 4.469 . . . . 0.0 123.067 172.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -58.65 122.19 12.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -162.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -65.47 165.67 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 C-N-CA 129.332 3.053 . . . . 0.0 114.274 167.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.0 t -152.79 135.34 15.21 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 124.963 2.316 . . . . 0.0 111.093 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.93 30.23 7.48 Favored 'General case' 0 CA--C 1.599 2.854 0 CA-C-N 112.386 -2.188 . . . . 0.0 108.912 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.4 mm . . . . . 0 N--CA 1.507 2.416 0 CA-C-O 124.804 2.24 . . . . 0.0 110.576 176.406 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 36.7 ttm . . . . . 0 CA--C 1.547 0.829 0 CA-C-O 117.176 -1.392 . . . . 0.0 113.384 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.19 164.41 24.97 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 113.212 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -72.68 -22.96 60.83 Favored 'General case' 0 N--CA 1.409 -2.507 0 C-N-CA 130.263 3.425 . . . . 0.0 109.273 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER -85.99 162.26 18.59 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-N 122.64 2.473 . . . . 0.0 109.572 -170.006 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.85 144.8 34.66 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.98 1.312 . . . . 0.0 112.836 -169.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.62 119.01 1.75 Allowed Glycine 0 CA--C 1.536 1.381 0 CA-C-N 111.862 -2.426 . . . . 0.0 110.783 -172.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -64.61 154.92 34.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 124.054 0.941 . . . . 0.0 110.624 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -49.54 -49.3 46.7 Favored 'General case' 0 CA--C 1.614 3.439 0 CA-C-O 124.85 2.262 . . . . 0.0 110.145 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.1 OUTLIER -57.08 -21.53 32.48 Favored 'General case' 0 N--CA 1.512 2.673 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 173.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -83.76 -47.57 11.02 Favored 'General case' 0 C--O 1.191 -2.022 0 C-N-CA 128.36 2.664 . . . . 0.0 109.54 165.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -58.71 -28.1 65.5 Favored 'General case' 0 C--N 1.388 2.256 0 O-C-N 118.073 -2.892 . . . . 0.0 111.363 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -65.26 -26.72 68.22 Favored 'General case' 0 C--O 1.267 2.012 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 163.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 t -76.08 -48.14 21.92 Favored 'General case' 0 C--O 1.262 1.758 0 CA-C-O 115.829 -2.034 . . . . 0.0 111.614 166.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.78 -38.75 16.32 Favored 'General case' 0 C--N 1.391 2.388 0 O-C-N 126.217 2.198 . . . . 0.0 111.321 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -66.74 -43.95 82.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.468 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -54.28 28.72 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 124.443 1.097 . . . . 0.0 110.316 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.6 t -47.29 -39.06 5.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 115.955 -1.974 . . . . 0.0 114.784 167.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.33 -30.46 48.18 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.805 2.093 . . . . 0.0 114.961 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -72.82 -28.78 62.76 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 120.414 1.461 . . . . 0.0 113.972 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.99 76.83 Favored 'General case' 0 N--CA 1.517 2.923 0 C-N-CA 129.413 3.085 . . . . 0.0 110.926 162.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.35 -33.25 64.99 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.546 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.17 -24.43 37.55 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 122.078 2.217 . . . . 0.0 107.908 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -61.78 1.84 Allowed 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 118.849 2.907 . . . . 0.0 118.849 158.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.409 0.2 OUTLIER -35.68 -28.79 0.01 OUTLIER 'General case' 0 C--O 1.261 1.707 1 N-CA-C 123.608 4.669 . . . . 0.0 123.608 157.624 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.274 34.3 mt -87.85 -51.53 5.79 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 114.315 -2.755 . . . . 0.0 115.131 170.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.13 -26.65 67.54 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.655 -1.64 . . . . 0.0 111.433 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.9 p -59.12 -40.99 87.12 Favored 'General case' 0 C--N 1.244 -3.987 0 CA-C-N 121.914 2.143 . . . . 0.0 115.739 167.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -67.01 -45.18 78.33 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 116.854 -1.546 . . . . 0.0 112.033 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 tp -61.38 -39.54 91.03 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 115.851 -2.339 . . . . 0.0 115.8 173.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.17 -34.56 71.06 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . 0.253 35.3 t -27.63 106.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 1 N-CA-C 123.63 4.678 . . . . 0.0 123.63 -179.905 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -158.87 135.48 6.57 Favored Pre-proline 0 C--O 1.2 -1.52 0 C-N-CA 130.632 3.573 . . . . 0.0 115.304 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . 0.302 76.2 Cg_exo -63.2 140.79 79.65 Favored 'Trans proline' 0 N--CA 1.424 -2.596 0 CA-C-N 123.517 2.292 . . . . 0.0 113.794 -166.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.21 -165.21 21.05 Favored Glycine 2 N--CA 1.521 4.31 0 C-N-CA 117.889 -2.101 . . . . 0.0 113.338 149.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.427 4.0 Cg_exo -71.82 -42.76 1.51 Allowed 'Trans proline' 0 C--O 1.279 2.569 0 O-C-N 127.3 3.263 . . . . 0.0 115.095 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -165.9 24.0 Favored Glycine 1 N--CA 1.532 5.043 0 CA-C-O 124.169 1.983 . . . . 0.0 115.688 -177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.3 mt -90.64 130.84 36.61 Favored 'General case' 0 N--CA 1.52 3.057 0 O-C-N 117.644 -3.268 . . . . 0.0 105.07 -175.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.11 157.19 8.1 Favored Glycine 1 CA--C 1.593 4.907 0 O-C-N 119.239 -2.163 . . . . 0.0 111.234 -167.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -76.85 140.35 20.49 Favored 'Trans proline' 0 N--CA 1.506 2.249 0 CA-C-O 114.088 -2.547 . . . . 0.0 111.84 -158.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -138.1 -17.42 1.21 Allowed 'General case' 1 N--CA 1.378 -4.037 0 O-C-N 127.226 2.829 . . . . 0.0 116.366 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -123.49 7.01 8.93 Favored 'General case' 1 CA--C 1.629 4.017 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -171.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -89.83 21.25 3.67 Favored 'General case' 0 C--O 1.181 -2.515 0 CA-C-N 112.491 -2.141 . . . . 0.0 112.628 -158.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.0 t -56.82 162.94 2.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 118.547 -2.596 . . . . 0.0 115.106 164.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -66.93 157.93 32.03 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -61.71 119.61 9.05 Favored 'General case' 0 C--N 1.286 -2.175 0 C-N-CA 125.511 1.525 . . . . 0.0 114.997 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -63.92 -13.65 47.24 Favored 'General case' 0 N--CA 1.433 -1.29 0 O-C-N 118.43 -2.669 . . . . 0.0 111.777 -171.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -68.18 151.45 46.97 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-N 123.31 2.777 . . . . 0.0 114.503 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.32 151.3 5.48 Favored 'General case' 0 N--CA 1.525 3.277 0 O-C-N 119.079 -2.263 . . . . 0.0 111.863 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -95.55 1.76 53.98 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.08 117.37 9.96 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 118.458 -2.651 . . . . 0.0 111.369 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -66.45 141.92 63.42 Favored 'Trans proline' 0 C--N 1.386 2.515 0 N-CA-C 119.223 2.74 . . . . 0.0 119.223 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.14 167.43 46.42 Favored Glycine 0 CA--C 1.559 2.829 0 O-C-N 118.92 -2.362 . . . . 0.0 108.63 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -177.65 3.18 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -175.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -63.53 146.13 54.28 Favored 'General case' 0 C--O 1.161 -3.589 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.78 -25.22 67.15 Favored 'General case' 0 N--CA 1.393 -3.296 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -64.54 -22.85 67.08 Favored 'General case' 0 CA--C 1.581 2.153 0 O-C-N 117.89 -3.006 . . . . 0.0 115.077 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 p -75.86 -38.69 57.69 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 126.386 1.875 . . . . 0.0 112.262 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -62.0 -27.19 68.69 Favored 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 163.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.21 -39.09 86.26 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 125.774 1.922 . . . . 0.0 111.914 169.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.12 -24.28 66.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 114.824 -2.513 . . . . 0.0 116.158 158.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.99 -33.43 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-N 122.939 2.609 . . . . 0.0 108.696 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.0 -44.53 72.64 Favored 'General case' 0 CA--C 1.488 -1.422 0 O-C-N 125.629 1.831 . . . . 0.0 113.52 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.05 -20.34 57.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 117.701 2.482 . . . . 0.0 117.701 163.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.99 -24.84 5.32 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 113.722 -3.037 . . . . 0.0 105.955 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.252 53.0 mtt -70.74 -27.74 64.18 Favored 'General case' 0 N--CA 1.526 3.358 1 CA-C-N 126.662 4.301 . . . . 0.0 113.068 160.44 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -64.96 -52.44 56.29 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 119.527 -1.983 . . . . 0.0 115.489 160.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.88 -27.32 68.78 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 127.705 2.402 . . . . 0.0 109.076 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.503 5.9 t80 -54.88 -51.95 64.36 Favored 'General case' 0 C--N 1.4 2.761 1 O-C-N 113.388 -5.82 . . . . 0.0 119.715 162.29 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.34 71.84 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 168.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 C--O 1.28 2.699 0 C-N-CA 127.806 2.442 . . . . 0.0 111.285 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.6 m -69.58 -23.42 63.54 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 116.93 -3.606 . . . . 0.0 115.04 162.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.254 54.9 t -63.54 -42.24 95.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-O 125.088 2.375 . . . . 0.0 111.433 164.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.75 -44.29 95.03 Favored Glycine 0 N--CA 1.407 -3.28 1 O-C-N 115.342 -4.599 . . . . 0.0 110.876 174.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 m -70.74 -18.56 62.78 Favored 'General case' 0 CA--C 1.464 -2.347 0 O-C-N 125.684 1.461 . . . . 0.0 111.576 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.74 -46.8 14.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 122.661 2.482 . . . . 0.0 106.907 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 mt -54.46 -51.2 51.86 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.307 0 O-C-N 117.566 -3.209 . . . . 0.0 113.758 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.68 -20.72 65.94 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 118.671 -2.518 . . . . 0.0 110.273 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.37 -53.59 31.64 Favored Glycine 0 C--O 1.261 1.838 0 CA-C-O 118.791 -1.005 . . . . 0.0 115.002 159.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.256 16.5 t80 -57.75 -39.93 78.55 Favored 'General case' 0 N--CA 1.434 -1.271 2 CA-C-N 125.322 4.561 . . . . 0.0 114.783 -179.626 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 p -75.33 -30.16 60.2 Favored 'General case' 0 C--O 1.262 1.724 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 172.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -111.63 -66.49 1.08 Allowed 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.5 p -70.62 -30.79 67.53 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 124.208 1.956 . . . . 0.0 114.621 -172.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -76.2 -9.47 58.65 Favored 'General case' 1 N--CA 1.544 4.264 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 171.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.92 29.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 119.632 3.197 . . . . 0.0 119.632 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.334 1.5 t -42.9 -40.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 -172.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.303 6.6 p30 -77.77 -0.44 27.04 Favored 'General case' 0 C--O 1.171 -3.042 1 N-CA-C 123.617 4.673 . . . . 0.0 123.617 174.56 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -113.67 148.59 36.06 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 117.863 -3.023 . . . . 0.0 107.585 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -95.98 -45.11 7.06 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-O 115.229 -2.319 . . . . 0.0 115.682 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . 0.288 6.3 p -172.06 157.79 4.45 Favored 'General case' 0 CA--C 1.459 -2.539 0 CA-C-N 123.673 2.942 . . . . 0.0 113.082 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.53 129.48 85.48 Favored Pre-proline 0 C--O 1.269 2.118 0 C-N-CA 126.306 1.842 . . . . 0.0 112.526 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -78.54 66.0 8.56 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.94 -16.94 61.1 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 119.384 -2.072 . . . . 0.0 114.801 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -73.49 -11.14 60.35 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.505 -1.372 . . . . 0.0 110.854 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.793 1.0 OUTLIER -77.52 -9.74 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 173.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.327 1.6 p90 -151.86 -6.59 0.23 Allowed 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 -174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.87 160.0 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.864 0 CA-C-N 121.27 1.85 . . . . 0.0 108.922 158.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . 0.274 83.6 mttt -108.12 -10.23 15.47 Favored 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.224 -164.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' A' ' 100' ' ' VAL . 83.4 m-20 -80.82 153.65 27.58 Favored 'General case' 0 CA--C 1.594 2.672 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.615 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.22 31.58 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.406 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 98' ' ' ASN . 16.8 m -76.11 160.72 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 O-C-N 117.369 -3.332 . . . . 0.0 116.323 178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 p -136.85 157.76 46.01 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.248 -1.532 . . . . 0.0 113.829 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 42.9 ttp -81.54 147.67 29.54 Favored 'General case' 0 C--O 1.26 1.622 0 C-N-CA 128.744 2.818 . . . . 0.0 110.466 -163.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.273 2.339 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.151 -172.427 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.244 0.773 0 CA-C-O 124.829 2.252 . . . . 0.0 115.622 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.97 -36.33 84.05 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.074 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -74.64 -30.3 61.57 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 123.635 2.925 . . . . 0.0 115.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -60.87 -47.66 85.34 Favored 'General case' 0 C--O 1.185 -2.327 0 C-N-CA 127.236 2.214 . . . . 0.0 111.686 172.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.48 -37.99 79.65 Favored 'General case' 0 C--N 1.382 2.019 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.86 -24.25 64.33 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 118.601 2.815 . . . . 0.0 118.601 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -86.97 -36.04 18.51 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 116.088 -1.91 . . . . 0.0 108.227 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -37.31 87.13 Favored 'General case' 0 N--CA 1.529 3.497 0 O-C-N 126.798 2.562 . . . . 0.0 108.783 163.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -66.99 -39.08 87.05 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 120.817 1.644 . . . . 0.0 108.998 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.57 95.51 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 116.765 -3.709 . . . . 0.0 112.341 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.7 -36.64 76.22 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.202 0 C-N-CA 125.665 1.586 . . . . 0.0 110.952 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.38 -41.35 80.67 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 126.696 1.998 . . . . 0.0 114.485 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -64.76 -46.8 80.63 Favored 'General case' 1 N--CA 1.581 6.124 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.953 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.85 76.13 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 166.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 tp -65.49 -39.14 91.54 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 119.533 1.061 . . . . 0.0 108.559 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -65.68 -30.53 71.23 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 118.127 -2.858 . . . . 0.0 115.768 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.06 67.35 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 130.412 3.485 . . . . 0.0 116.208 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.279 53.0 m -64.02 -41.26 97.49 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.28 -61.15 1.91 Allowed 'General case' 0 N--CA 1.473 0.724 0 O-C-N 116.342 -3.974 . . . . 0.0 112.77 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -52.19 -50.25 62.26 Favored 'General case' 0 C--N 1.292 -1.923 1 CA-C-N 127.444 4.656 . . . . 0.0 112.551 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.322 55.5 p . . . . . 0 CA--C 1.57 1.722 0 O-C-N 117.93 -2.981 . . . . 0.0 115.957 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 . . . . . 0 C--O 1.203 -1.387 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.5 p -80.95 -22.69 39.39 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 117.441 2.385 . . . . 0.0 117.441 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' HA ' ' HB ' ' A' ' 61' ' ' ILE 0.275 29.6 t80 -57.08 -40.44 76.92 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 130.788 3.635 . . . . 0.0 120.801 148.212 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 75.3 mtm -82.65 -34.58 27.42 Favored 'General case' 0 CA--C 1.608 3.203 0 O-C-N 119.983 -1.698 . . . . 0.0 109.546 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -57.26 -29.39 63.79 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 117.118 -3.488 . . . . 0.0 114.707 158.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' HA ' ' HB ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -74.69 -32.42 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.513 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 172.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.26 -37.51 83.61 Favored 'General case' 0 CA--C 1.592 2.56 0 CA-C-O 124.243 1.973 . . . . 0.0 114.45 166.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -74.05 -20.84 60.16 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 61' ' ' ILE . 2.5 t -72.04 -44.09 66.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 123.901 0.881 . . . . 0.0 109.155 167.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.6 ttp -56.44 -33.84 66.25 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 118.803 -2.436 . . . . 0.0 113.356 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.279 19.6 t80 -66.88 -52.12 47.3 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 116.445 -3.909 . . . . 0.0 116.879 167.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.53 -28.86 70.14 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 114.361 -2.733 . . . . 0.0 105.578 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.369 6.1 t80 -62.0 -48.67 79.3 Favored 'General case' 0 C--O 1.246 0.886 1 CA-C-N 126.349 4.159 . . . . 0.0 118.381 166.831 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.71 68.72 Favored 'General case' 0 CA--C 1.595 2.709 0 CA-C-N 122.119 2.236 . . . . 0.0 113.807 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.14 -27.99 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.829 0 O-C-N 119.509 -1.994 . . . . 0.0 110.031 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 m -62.27 -25.49 67.87 Favored 'General case' 0 C--O 1.196 -1.744 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 167.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.28 57.5 t -64.56 -40.02 87.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.063 0 O-C-N 124.5 1.125 . . . . 0.0 111.539 167.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.29 -49.63 72.62 Favored Glycine 1 CA--C 1.626 7.004 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -71.06 -23.86 62.22 Favored 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 127.686 2.394 . . . . 0.0 105.479 -170.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.94 -53.0 29.67 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 125.579 3.809 . . . . 0.0 114.717 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.317 10.2 mt -56.48 -41.92 73.86 Favored 'Isoleucine or valine' 0 C--N 1.381 1.948 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.1 tp -78.88 -31.79 45.62 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.269 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.091 0 N-CA-C 117.884 1.914 . . . . 0.0 117.884 153.459 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.243 0.738 0 N-CA-C 120.098 3.37 . . . . 0.0 120.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.65 -28.1 69.14 Favored 'General case' 0 CA--C 1.454 -2.725 0 CA-C-N 123.863 3.029 . . . . 0.0 116.019 168.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -68.64 -26.85 65.54 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 126.776 2.03 . . . . 0.0 112.216 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -83.68 -36.64 23.6 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 117.772 -3.08 . . . . 0.0 107.915 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.312 8.9 t80 -52.84 -43.56 66.12 Favored 'General case' 0 CA--C 1.621 3.674 0 CA-C-N 122.359 2.345 . . . . 0.0 115.19 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -22.85 63.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 t -78.47 -46.64 19.2 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 117.102 -3.499 . . . . 0.0 110.975 170.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' A' ' 17' ' ' VAL . 35.1 tp -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.554 1.124 1 O-C-N 115.976 -4.202 . . . . 0.0 117.755 167.244 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -43.85 78.39 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.375 170.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.04 89.59 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 14' ' ' LEU . 4.7 p -75.46 -28.06 19.7 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 116.168 -1.872 . . . . 0.0 111.428 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 mt -82.43 -28.67 31.2 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 122.476 2.398 . . . . 0.0 111.416 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.63 -38.75 60.84 Favored 'General case' 0 N--CA 1.516 2.838 0 CA-C-O 126.103 2.859 . . . . 0.0 116.033 163.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -34.24 20.93 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 111.326 -2.67 . . . . 0.0 109.414 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.53 -49.64 70.48 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 116.891 -1.528 . . . . 0.0 108.044 173.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.291 52.1 m-20 -47.67 -31.89 5.11 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.942 2.497 . . . . 0.0 117.424 166.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -45.77 14.45 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 117.581 -3.199 . . . . 0.0 110.141 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -24.31 64.71 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.286 54.2 tp -70.61 -44.0 68.16 Favored 'General case' 0 N--CA 1.428 -1.57 0 C-N-CA 123.895 0.878 . . . . 0.0 111.158 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -65.2 -38.08 89.34 Favored 'General case' 0 C--O 1.193 -1.875 0 C-N-CA 125.146 1.378 . . . . 0.0 111.292 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.252 62.1 p . . . . . 0 C--O 1.269 2.124 0 C-N-CA 116.668 -2.013 . . . . 0.0 112.955 170.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.278 27.6 t30 . . . . . 0 CA--C 1.473 -2.004 0 CA-C-O 122.46 1.124 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 p -76.96 -34.58 57.57 Favored 'General case' 0 C--O 1.174 -2.92 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.627 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.31 25.1 t80 -47.3 -45.81 24.52 Favored 'General case' 0 N--CA 1.41 -2.437 0 C-N-CA 127.422 2.289 . . . . 0.0 115.379 158.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.2 ttp -64.21 -48.83 74.34 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 120.219 -1.55 . . . . 0.0 110.861 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.313 65.2 m-85 -51.27 -20.89 1.82 Allowed 'General case' 0 CA--C 1.566 1.583 0 O-C-N 118.314 -2.741 . . . . 0.0 118.018 164.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.283 1.2 mp -78.61 -38.77 22.43 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.942 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.74 -33.99 73.21 Favored 'General case' 0 CA--C 1.556 1.199 0 O-C-N 120.861 -1.149 . . . . 0.0 110.935 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -68.57 -18.2 64.29 Favored 'General case' 0 N--CA 1.411 -2.414 0 O-C-N 116.781 -3.7 . . . . 0.0 117.399 162.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.31 -31.69 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 126.329 1.852 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 35.4 ttm -57.37 -45.96 83.87 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 130.071 3.348 . . . . 0.0 109.009 161.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.01 -36.93 84.62 Favored 'General case' 0 C--O 1.172 -2.986 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.5 tp -66.27 -28.77 68.97 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 118.077 -2.89 . . . . 0.0 113.135 167.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.82 -53.24 60.13 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 116.239 -1.839 . . . . 0.0 108.548 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.21 70.99 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 123.524 2.874 . . . . 0.0 113.525 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -75.48 -34.35 29.57 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 C-N-CA 126.866 2.066 . . . . 0.0 112.273 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 53.6 m -74.04 -24.8 59.59 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 117.173 -3.455 . . . . 0.0 111.744 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.5 -41.71 93.64 Favored 'Isoleucine or valine' 0 C--O 1.259 1.591 0 CA-C-N 124.053 3.115 . . . . 0.0 107.291 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.76 -35.09 26.05 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 120.359 -1.463 . . . . 0.0 114.107 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 43.2 m -54.47 -37.94 65.83 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 155.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.255 17.4 mt -69.41 -44.23 71.83 Favored 'General case' 0 N--CA 1.512 2.627 0 O-C-N 119.32 -2.113 . . . . 0.0 109.433 -176.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.53 -57.6 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.079 0 O-C-N 118.96 -2.337 . . . . 0.0 116.346 165.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.55 -24.27 65.51 Favored 'General case' 0 CA--C 1.606 3.131 0 O-C-N 119.292 -2.13 . . . . 0.0 115.016 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.483 0 O-C-N 120.982 -1.074 . . . . 0.0 113.054 161.57 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -45.53 -50.03 13.28 Favored 'General case' 0 CA--C 1.563 1.478 0 O-C-N 127.423 2.952 . . . . 0.0 113.1 161.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -24.65 61.76 Favored 'General case' 0 N--CA 1.515 2.779 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.353 26.7 t-105 -52.63 -54.65 30.27 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.479 -1.288 . . . . 0.0 113.889 158.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -63.78 -25.05 68.01 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.503 -1.373 . . . . 0.0 112.113 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.367 7.9 tp10 -66.92 -30.66 70.87 Favored 'General case' 0 C--O 1.182 -2.459 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 168.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -72.18 -44.87 62.35 Favored 'General case' 0 N--CA 1.526 3.357 0 CA-C-N 109.464 -3.516 . . . . 0.0 108.667 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 mt -69.45 -14.32 62.82 Favored 'General case' 0 C--O 1.188 -2.152 0 CA-C-O 115.403 -2.236 . . . . 0.0 114.459 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -82.48 -35.41 27.46 Favored 'General case' 0 C--O 1.187 -2.197 0 O-C-N 124.983 1.427 . . . . 0.0 113.638 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.7 94.18 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 120.042 -1.661 . . . . 0.0 113.766 170.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.384 0.3 OUTLIER -65.25 -42.27 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.68 -50.09 55.66 Favored 'General case' 0 N--CA 1.387 -3.617 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.68 -38.75 88.96 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 112.294 -2.23 . . . . 0.0 111.532 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.72 65.14 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 126.632 2.458 . . . . 0.0 114.616 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.83 -36.75 82.07 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 118.808 -1.157 . . . . 0.0 113.928 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.73 -43.84 75.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 125.045 1.338 . . . . 0.0 111.026 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.6 84.18 Favored 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.936 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -51.78 -32.14 29.87 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.949 2.656 . . . . 0.0 114.607 162.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.9 tp -81.61 -42.38 20.13 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 121.742 2.065 . . . . 0.0 111.315 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -62.24 -13.79 31.63 Favored 'General case' 0 N--CA 1.535 3.813 0 O-C-N 121.146 -0.971 . . . . 0.0 111.935 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 CA--C 1.567 1.606 0 O-C-N 120.558 -1.339 . . . . 0.0 110.905 162.681 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 N--CA 1.504 2.234 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -74.14 -28.62 61.41 Favored 'General case' 0 CA--C 1.464 -2.351 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.397 25.1 m-85 -69.52 -27.83 65.52 Favored 'General case' 0 C--O 1.176 -2.8 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 161.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mmm -71.63 -38.55 70.75 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.449 -2.215 . . . . 0.0 112.534 162.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.9 -27.8 53.73 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 122.583 2.447 . . . . 0.0 116.844 160.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -73.69 -25.35 20.63 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.209 0 CA-C-O 117.532 -1.223 . . . . 0.0 112.508 173.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 62' ' ' LEU . 61.7 mt -63.3 -43.9 96.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 120.647 1.567 . . . . 0.0 109.834 163.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.267 36.3 t80 -63.82 -22.12 66.76 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 127.313 2.883 . . . . 0.0 112.944 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.395 0.4 OUTLIER -94.17 -18.56 6.85 Favored 'Isoleucine or valine' 0 C--N 1.372 1.545 0 O-C-N 117.647 -3.158 . . . . 0.0 116.454 178.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.282 19.5 mtm -66.36 -43.73 85.17 Favored 'General case' 0 CA--C 1.602 2.96 0 O-C-N 120.117 -1.615 . . . . 0.0 111.254 154.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.15 -49.94 75.95 Favored 'General case' 0 CA--C 1.592 2.561 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.81 -38.4 81.85 Favored 'General case' 0 C--N 1.409 3.195 0 O-C-N 118.352 -2.717 . . . . 0.0 111.785 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.327 63.3 t80 -47.73 -51.91 20.43 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 117.613 2.449 . . . . 0.0 117.613 172.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.17 75.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 125.548 1.78 . . . . 0.0 112.203 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.01 -37.79 77.6 Favored 'Isoleucine or valine' 0 C--N 1.387 2.233 0 C-N-CA 127.406 2.282 . . . . 0.0 112.465 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -73.61 -15.47 61.27 Favored 'General case' 0 CA--C 1.485 -1.544 0 N-CA-C 121.305 3.817 . . . . 0.0 121.305 164.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.36 -49.93 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 164.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.74 -32.46 36.98 Favored Glycine 0 CA--C 1.488 -1.609 0 CA-C-N 119.735 1.152 . . . . 0.0 110.38 -168.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 t -61.39 -31.25 71.16 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 167.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.86 -52.5 42.79 Favored 'General case' 0 C--N 1.386 2.154 0 O-C-N 119.026 -2.296 . . . . 0.0 110.362 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.9 mt -56.79 -49.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 CA-C-O 121.697 0.761 . . . . 0.0 111.75 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.8 -38.57 64.66 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 161.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.901 0 CA-C-O 118.719 -1.045 . . . . 0.0 115.508 177.211 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.274 2.365 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -33.32 75.67 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 115.582 -2.151 . . . . 0.0 113.01 168.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 m -78.42 -32.44 48.64 Favored 'General case' 0 C--O 1.191 -2.013 0 CA-C-O 125.464 2.554 . . . . 0.0 114.543 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -61.97 -48.8 78.74 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-O 113.206 -3.283 . . . . 0.0 110.963 156.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.317 34.5 t80 -56.32 -51.4 68.38 Favored 'General case' 0 C--N 1.306 -1.315 1 CA-C-N 128.786 5.266 . . . . 0.0 115.166 174.947 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -62.1 -25.94 68.01 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.754 2.534 . . . . 0.0 116.339 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -82.68 -35.85 26.46 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 119.371 -2.081 . . . . 0.0 111.799 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.75 -33.39 74.75 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 165.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.488 ' ND1' ' HE2' ' A' ' 19' ' ' LYS . 57.4 t-80 -61.81 -51.16 69.39 Favored 'General case' 0 N--CA 1.535 3.81 0 CA-C-O 115.848 -2.025 . . . . 0.0 108.514 162.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.75 6.42 Favored 'General case' 0 N--CA 1.519 2.987 0 CA-C-N 122.184 2.266 . . . . 0.0 112.677 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.322 0.3 OUTLIER -57.63 -36.45 54.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -178.498 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.61 -31.91 62.17 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.493 -2.004 . . . . 0.0 114.682 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE2' ' ND1' ' A' ' 15' ' ' HIS . 18.3 mtmt -63.18 -32.71 74.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 127.543 3.027 . . . . 0.0 114.427 166.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.25 66.78 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.791 1.307 . . . . 0.0 111.732 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.0 -47.91 78.46 Favored 'General case' 0 CA--C 1.592 2.582 0 O-C-N 119.364 -2.085 . . . . 0.0 108.74 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -60.7 -27.81 68.17 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-O 123.524 1.63 . . . . 0.0 111.009 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.85 -29.95 13.93 Favored 'General case' 0 CA--C 1.595 2.692 1 O-C-N 115.784 -4.322 . . . . 0.0 109.931 -167.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.25 1.1 t -63.3 -33.9 76.51 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 124.521 2.105 . . . . 0.0 110.89 161.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.51 -37.46 68.36 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 118.84 -2.413 . . . . 0.0 114.762 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -64.42 -46.83 81.55 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 113.85 -2.976 . . . . 0.0 112.003 161.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.435 -1.185 0 CA-C-N 122.975 2.625 . . . . 0.0 116.394 168.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.7 p -52.21 -41.73 62.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.293 1.437 . . . . 0.0 109.544 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.42 -29.28 64.71 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 117.729 -3.107 . . . . 0.0 116.812 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.8 tpt -67.41 -46.81 72.1 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.422 1.701 . . . . 0.0 108.421 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.89 -33.63 57.11 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.039 0.936 . . . . 0.0 108.769 172.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.55 -38.08 72.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.977 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 62' ' ' LEU . 30.4 tp -50.88 -43.76 59.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.723 -1.861 . . . . 0.0 107.797 167.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.257 0.7 OUTLIER -68.93 -23.23 64.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 118.673 -2.517 . . . . 0.0 116.305 169.563 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -26.02 14.02 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.378 0 O-C-N 127.544 3.028 . . . . 0.0 115.23 175.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttp -65.86 -47.04 76.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.787 -1.195 . . . . 0.0 111.361 162.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.37 6.5 t80 -51.27 -56.66 11.81 Favored 'General case' 0 N--CA 1.533 3.712 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 164.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.36 -37.25 55.71 Favored 'General case' 0 N--CA 1.508 2.451 0 C-N-CA 125.97 1.708 . . . . 0.0 107.719 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.284 17.5 t80 -57.71 -38.76 75.82 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -28.49 65.25 Favored 'General case' 0 N--CA 1.515 2.794 0 C-N-CA 116.284 -2.166 . . . . 0.0 114.227 170.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.43 -36.2 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 124.875 1.359 . . . . 0.0 112.955 171.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.7 m -68.2 -28.34 67.17 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.808 1.318 . . . . 0.0 113.901 170.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.22 -45.43 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.247 0 O-C-N 118.392 -2.692 . . . . 0.0 111.327 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.82 -60.0 9.39 Favored Glycine 0 C--O 1.198 -2.107 0 CA-C-O 117.61 -1.661 . . . . 0.0 114.34 166.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . 0.364 6.1 m -46.09 -34.79 4.42 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 126.016 1.726 . . . . 0.0 112.587 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.67 -41.42 68.72 Favored 'General case' 0 CA--C 1.468 -2.197 0 O-C-N 118.584 -2.573 . . . . 0.0 113.708 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--O 1.271 2.233 0 O-C-N 120.43 -1.418 . . . . 0.0 108.801 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.39 -42.17 96.28 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.411 2.284 . . . . 0.0 112.387 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.652 0 CA-C-N 122.592 2.451 . . . . 0.0 110.193 176.419 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.342 1.2 p . . . . . 0 CA--C 1.504 -0.822 0 N-CA-C 117.344 2.349 . . . . 0.0 117.344 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.38 -25.66 68.39 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 126.502 3.049 . . . . 0.0 115.411 172.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -80.02 -35.1 37.75 Favored 'General case' 0 CA--C 1.476 -1.901 0 O-C-N 118.863 -2.398 . . . . 0.0 108.084 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -61.62 -38.84 89.11 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 117.679 -3.138 . . . . 0.0 112.897 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.307 3.1 t80 -60.21 -41.76 93.72 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-N 123.704 2.956 . . . . 0.0 113.263 172.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 -11.99 58.14 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-O 124.723 2.201 . . . . 0.0 110.523 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -79.59 -42.13 25.64 Favored 'General case' 0 C--O 1.274 2.351 0 CA-C-O 126.014 2.816 . . . . 0.0 114.626 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.87 -56.06 27.1 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 119.251 -2.156 . . . . 0.0 108.367 167.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -67.04 -19.26 65.65 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 117.517 -3.24 . . . . 0.0 116.373 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.25 . . -78.03 -48.45 16.11 Favored 'General case' 0 CA--C 1.566 1.576 0 O-C-N 127.338 2.899 . . . . 0.0 115.977 166.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.336 3.0 p -64.39 -28.65 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 117.46 2.393 . . . . 0.0 117.46 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.5 -44.84 81.48 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.595 -1.316 . . . . 0.0 110.509 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.2 -32.67 74.47 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -42.6 78.7 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 125.863 1.665 . . . . 0.0 113.17 164.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.62 -41.25 85.47 Favored 'General case' 0 N--CA 1.531 3.579 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.27 3.9 m-80 -67.58 -35.23 78.61 Favored 'General case' 0 N--CA 1.426 -1.651 1 C-N-CA 132.504 4.321 . . . . 0.0 112.173 176.112 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.53 -46.8 24.99 Favored 'General case' 0 CA--C 1.575 1.928 1 O-C-N 113.91 -5.494 . . . . 0.0 103.536 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.316 1.9 m -45.22 -41.42 8.33 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-O 122.829 1.3 . . . . 0.0 113.694 164.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.0 -41.59 25.53 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 117.341 -3.35 . . . . 0.0 107.107 -174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.4 -33.05 74.01 Favored 'General case' 0 CA--C 1.58 2.097 0 O-C-N 119.713 -1.867 . . . . 0.0 111.522 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.278 -2.535 0 C-N-CA 124.348 1.059 . . . . 0.0 110.457 173.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t30 . . . . . 0 CA--C 1.592 2.584 0 CA-C-O 114.892 -2.48 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -56.36 -45.16 80.59 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 125.232 1.582 . . . . 0.0 112.945 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.458 17.3 m-85 -66.76 -27.13 67.35 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -174.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -87.13 -36.01 18.32 Favored 'General case' 0 C--O 1.273 2.337 1 O-C-N 129.534 4.271 . . . . 0.0 108.058 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -54.24 -31.73 54.17 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 113.278 -3.249 . . . . 0.0 118.276 153.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.5 mm -72.15 -36.05 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 CA-C-N 122.967 2.621 . . . . 0.0 107.081 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.19 -39.61 78.55 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 119.116 0.871 . . . . 0.0 113.299 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.308 6.0 t80 -50.72 -25.99 4.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.032 2.533 . . . . 0.0 116.601 156.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.54 -20.25 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 120.101 -1.624 . . . . 0.0 111.239 -172.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.01 -35.88 81.7 Favored 'General case' 0 CA--C 1.601 2.908 0 O-C-N 118.507 -2.621 . . . . 0.0 112.729 153.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.286 15.9 t80 -67.34 -49.09 65.5 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 167.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.11 -25.34 66.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.754 1.909 . . . . 0.0 115.108 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.64 -53.83 50.89 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.491 -2.006 . . . . 0.0 114.915 163.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 -27.51 62.74 Favored 'General case' 0 CA--C 1.62 3.643 0 CA-C-N 124.268 3.213 . . . . 0.0 115.472 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 t -75.15 -32.98 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 171.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.561 0.2 OUTLIER -59.27 -23.47 62.41 Favored 'General case' 0 N--CA 1.439 -0.978 1 C-N-CA 133.838 4.855 . . . . 0.0 112.581 163.494 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 t -78.32 -37.28 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-O 114.495 -2.669 . . . . 0.0 114.131 166.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.25 -39.27 95.93 Favored Glycine 0 CA--C 1.572 3.644 0 CA-C-O 116.702 -2.166 . . . . 0.0 107.704 163.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 -33.73 58.26 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 120.51 2.155 . . . . 0.0 111.215 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.67 -36.26 62.79 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-O 115.168 -2.349 . . . . 0.0 108.658 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.7 mt -67.98 -38.64 80.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-N 123.514 2.87 . . . . 0.0 108.972 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.79 -37.21 78.45 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 170.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.613 0 C-N-CA 125.76 1.648 . . . . 0.0 114.499 174.592 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.534 3.736 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -66.28 -38.39 87.67 Favored 'General case' 0 C--O 1.297 3.555 0 CA-C-O 123.845 1.783 . . . . 0.0 107.731 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.545 0.0 OUTLIER -62.05 -45.16 94.77 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 119.961 -1.712 . . . . 0.0 114.136 167.258 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.66 -50.64 72.68 Favored 'General case' 0 N--CA 1.533 3.702 0 O-C-N 117.173 -3.454 . . . . 0.0 109.95 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.402 4.1 t80 -54.65 -44.48 73.28 Favored 'General case' 0 CA--C 1.463 -2.401 0 CA-C-O 114.727 -2.558 . . . . 0.0 117.222 172.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.81 -23.35 66.17 Favored 'General case' 0 CA--C 1.606 3.13 0 CA-C-N 120.34 1.427 . . . . 0.0 108.829 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -80.15 -31.88 38.93 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.395 -1.441 . . . . 0.0 111.736 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -67.0 -37.75 84.76 Favored 'General case' 0 C--N 1.407 3.066 0 O-C-N 117.819 -3.05 . . . . 0.0 114.02 165.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -57.25 -42.29 81.23 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.97 89.03 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.657 1.983 . . . . 0.0 109.473 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.85 -58.12 5.96 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.663 0 CA-C-N 124.688 3.403 . . . . 0.0 111.359 161.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.95 -25.16 67.76 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 119.044 -2.285 . . . . 0.0 111.356 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.72 -43.16 66.37 Favored 'General case' 0 N--CA 1.521 3.097 0 O-C-N 118.985 -2.322 . . . . 0.0 114.041 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.03 -63.81 0.94 Allowed 'General case' 0 C--O 1.197 -1.708 0 O-C-N 126.729 2.518 . . . . 0.0 109.791 163.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tt -46.09 -39.78 9.88 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 118.909 -2.37 . . . . 0.0 115.281 175.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.0 -24.52 61.58 Favored 'General case' 0 CA--C 1.601 2.942 0 C-N-CA 128.518 2.727 . . . . 0.0 109.752 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.97 -52.97 9.8 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 120.519 -1.363 . . . . 0.0 108.363 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -43.3 29.52 Favored 'General case' 0 C--O 1.186 -2.245 0 C-N-CA 127.376 2.27 . . . . 0.0 114.16 163.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.67 -61.64 2.18 Favored 'General case' 0 C--O 1.18 -2.583 0 O-C-N 117.99 -2.944 . . . . 0.0 114.388 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.25 -34.85 77.32 Favored 'General case' 0 CA--C 1.501 -0.912 0 O-C-N 121.562 -0.711 . . . . 0.0 111.744 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.568 1.671 0 C-N-CA 127.05 2.14 . . . . 0.0 114.774 175.176 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.632 -1.652 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.5 p -52.29 -30.03 26.06 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.428 2.381 . . . . 0.0 117.428 161.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.29 60.5 m-85 -67.86 -31.55 71.45 Favored 'General case' 0 N--CA 1.395 -3.211 1 O-C-N 116.101 -4.124 . . . . 0.0 117.046 176.549 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.345 22.0 ttp -67.74 -50.99 54.37 Favored 'General case' 0 C--N 1.319 -0.727 1 C-N-CA 134.887 5.275 . . . . 0.0 108.569 170.754 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.59 71.0 m-85 -46.08 -41.2 11.91 Favored 'General case' 0 C--O 1.167 -3.261 0 CA-C-O 123.663 1.697 . . . . 0.0 115.452 160.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.254 33.2 mt -73.39 -20.17 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.307 0 CA-C-O 116.347 -1.787 . . . . 0.0 110.992 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.24 -54.73 7.11 Favored 'General case' 0 C--O 1.201 -1.47 0 CA-C-N 120.982 1.719 . . . . 0.0 107.394 170.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.451 53.6 m-85 -54.8 -21.83 12.44 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 128.266 3.479 . . . . 0.0 117.552 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.424 0.4 OUTLIER -73.93 -41.0 53.27 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 128.367 2.667 . . . . 0.0 110.434 174.019 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 tpp -66.69 -33.16 75.03 Favored 'General case' 0 CA--C 1.477 -1.851 0 O-C-N 120.831 -1.168 . . . . 0.0 113.928 172.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.419 32.9 m-85 -60.59 -52.24 66.01 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 161.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tp -42.14 -45.81 4.15 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 119.678 3.214 . . . . 0.0 119.678 163.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.9 -61.26 2.05 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 160.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.7 33.22 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 121.195 1.816 . . . . 0.0 114.818 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.05 -29.85 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.802 0 C-N-CA 123.947 0.899 . . . . 0.0 111.768 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -59.8 -23.84 63.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 115.573 -2.156 . . . . 0.0 116.272 157.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.339 2.9 t -68.97 -45.03 80.94 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 CA-C-N 123.129 2.695 . . . . 0.0 111.793 170.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.94 66.25 Favored Glycine 0 N--CA 1.486 2.0 0 CA-C-N 112.039 -2.346 . . . . 0.0 110.963 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -83.71 -6.94 59.56 Favored 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.296 59.1 mt -63.03 -50.99 68.51 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 124.315 2.007 . . . . 0.0 113.691 151.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -61.43 -54.74 30.96 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.013 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.11 -19.86 65.98 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 3.171 0 CA-C-O 116.587 -2.23 . . . . 0.0 114.498 163.394 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.439 -1.021 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -62.74 -27.02 68.99 Favored 'General case' 0 CA--C 1.612 3.337 0 C-N-CA 117.6 -1.64 . . . . 0.0 110.715 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.319 3.8 p -71.41 -33.76 69.75 Favored 'General case' 1 N--CA 1.543 4.217 0 O-C-N 119.641 -1.912 . . . . 0.0 112.781 177.617 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -40.46 97.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 125.838 1.961 . . . . 0.0 113.747 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.428 34.9 m-85 -60.01 -30.8 69.39 Favored 'General case' 1 N--CA 1.539 4.015 0 O-C-N 127.954 3.284 . . . . 0.0 116.924 166.688 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -88.81 -11.71 44.05 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 173.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.5 m -82.95 -36.82 24.85 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 115.213 -2.327 . . . . 0.0 106.643 168.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.87 -34.29 74.39 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 121.125 1.784 . . . . 0.0 110.055 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.14 -40.88 97.11 Favored 'General case' 0 CA--C 1.464 -2.34 0 O-C-N 124.998 1.436 . . . . 0.0 110.517 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -28.79 68.42 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 116.601 2.074 . . . . 0.0 116.601 170.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.35 -43.36 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 125.127 1.371 . . . . 0.0 112.832 171.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.23 -30.2 70.3 Favored 'General case' 0 N--CA 1.398 -3.039 0 O-C-N 118.738 -2.476 . . . . 0.0 114.261 170.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -64.21 -44.34 92.23 Favored 'General case' 0 CA--C 1.474 -1.972 0 O-C-N 119.162 -2.211 . . . . 0.0 115.661 169.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 -46.76 72.3 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.126 -2.306 . . . . 0.0 108.005 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.3 -47.1 74.72 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 120.988 1.722 . . . . 0.0 115.324 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.263 77.2 m-20 -65.59 -23.63 66.88 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 121.814 2.097 . . . . 0.0 113.073 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.59 46.94 Favored 'General case' 0 N--CA 1.538 3.93 0 C-N-CA 127.676 2.391 . . . . 0.0 116.342 166.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -57.79 -30.9 66.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 114.549 -2.644 . . . . 0.0 113.866 163.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.13 -35.93 61.66 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 128.091 3.369 . . . . 0.0 112.35 166.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.18 -25.8 62.68 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 117.478 -3.264 . . . . 0.0 113.536 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.427 -1.603 0 O-C-N 118.24 -2.788 . . . . 0.0 107.178 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 CA--C 1.566 1.571 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -52.32 -23.12 5.31 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 127.041 2.136 . . . . 0.0 110.372 163.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -80.18 -21.65 42.77 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 119.843 3.275 . . . . 0.0 119.843 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.1 ttm -74.69 -30.24 61.49 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 127.012 2.125 . . . . 0.0 109.876 162.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 36.1 t80 -57.96 -46.58 84.89 Favored 'General case' 0 N--CA 1.419 -2.004 0 C-N-CA 115.74 -2.384 . . . . 0.0 114.367 157.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.386 33.9 mm -51.01 -37.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 171.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.25 -42.54 36.81 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 119.486 -2.009 . . . . 0.0 113.753 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -60.66 -27.88 68.17 Favored 'General case' 1 C--O 1.323 4.959 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 170.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -13.57 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.0 mtm -64.89 -37.28 87.11 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-O 124.243 1.973 . . . . 0.0 108.553 152.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.321 42.3 t80 -70.2 -42.7 72.0 Favored 'General case' 0 C--O 1.271 2.191 0 C-N-CA 116.52 -2.072 . . . . 0.0 115.539 171.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.62 -27.3 66.78 Favored 'General case' 0 C--O 1.278 2.579 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.653 2.6 t80 -43.1 -60.51 1.62 Allowed 'General case' 0 CA--C 1.485 -1.552 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 159.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.6 -25.84 63.23 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.208 -1.557 . . . . 0.0 111.092 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.18 -39.13 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 C-N-CA 129.292 3.037 . . . . 0.0 105.908 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.295 12.5 m -64.36 -37.05 86.16 Favored 'General case' 0 C--O 1.172 -3.024 1 CA-C-O 111.587 -4.054 . . . . 0.0 112.54 168.56 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.251 39.6 t -52.04 -52.48 23.39 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-N 122.422 2.374 . . . . 0.0 113.236 168.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.85 -21.24 73.1 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-O 114.462 -3.41 . . . . 0.0 113.429 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 m -72.57 -40.2 66.8 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 129.106 2.963 . . . . 0.0 107.542 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.277 47.9 tp -65.59 -33.54 76.14 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 124.453 2.073 . . . . 0.0 116.24 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.37 -48.02 82.21 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 118.646 -2.534 . . . . 0.0 106.91 168.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.37 -24.1 67.15 Favored 'General case' 0 N--CA 1.524 3.228 0 O-C-N 116.961 -3.587 . . . . 0.0 109.389 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.402 -3.597 0 C-N-CA 127.826 2.632 . . . . 0.0 108.937 176.261 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.567 1.623 0 CA-C-O 115.876 -2.011 . . . . 0.0 112.609 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -65.09 -26.76 68.36 Favored 'General case' 0 CA--C 1.579 2.061 0 C-N-CA 127.515 2.326 . . . . 0.0 111.444 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 p -73.22 -42.95 62.04 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 118.778 -2.451 . . . . 0.0 111.208 169.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.317 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.458 15.1 t80 -47.08 -36.27 7.98 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 122.616 2.462 . . . . 0.0 116.868 165.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -71.97 -28.27 63.32 Favored 'General case' 0 N--CA 1.538 3.95 0 O-C-N 120.699 -1.251 . . . . 0.0 112.576 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 p -82.72 -39.25 22.18 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 119.203 -2.186 . . . . 0.0 109.463 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.64 -25.82 60.71 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.682 -1.261 . . . . 0.0 113.596 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.291 10.6 m-70 -91.25 -35.01 14.74 Favored 'General case' 0 N--CA 1.53 3.568 0 O-C-N 119.586 -1.946 . . . . 0.0 110.579 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.76 -47.9 59.39 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 159.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -33.66 64.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 O-C-N 124.15 0.906 . . . . 0.0 113.2 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.07 -41.97 97.14 Favored 'General case' 0 CA--C 1.575 1.914 0 O-C-N 118.958 -2.339 . . . . 0.0 110.027 172.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -71.17 -29.71 65.54 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.024 -1.047 . . . . 0.0 112.976 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.11 46.66 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.28 -53.13 21.32 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.604 165.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.252 98.0 m-20 -60.76 -21.43 63.01 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 174.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.68 18.22 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.325 0.8 OUTLIER -104.05 -15.61 15.53 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 120.354 3.464 . . . . 0.0 120.354 166.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.94 -25.52 67.65 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 123.724 1.726 . . . . 0.0 111.777 168.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -121.54 32.3 5.95 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 130.427 3.491 . . . . 0.0 114.465 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.253 1.241 0 O-C-N 116.35 -3.968 . . . . 0.0 117.749 174.249 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.269 25.5 t-20 . . . . . 0 C--O 1.175 -2.856 0 CA-C-O 127.055 3.312 . . . . 0.0 114.017 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 m -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.299 -1.626 1 O-C-N 115.634 -4.416 . . . . 0.0 109.352 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.272 65.8 t80 -64.71 -34.66 78.83 Favored 'General case' 0 C--O 1.186 -2.275 0 CA-C-N 119.294 0.952 . . . . 0.0 111.621 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 tpp -71.6 -38.83 70.82 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 125.649 2.643 . . . . 0.0 109.084 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.281 54.4 m-85 -54.75 -39.44 68.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 118.401 -2.687 . . . . 0.0 110.426 160.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -70.9 -27.61 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 2 O-C-N 114.601 -5.062 . . . . 0.0 114.351 173.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.03 -37.85 88.96 Favored 'General case' 0 CA--C 1.592 2.567 0 CA-C-O 125.108 2.385 . . . . 0.0 113.698 166.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.294 65.7 m-85 -59.84 -28.98 67.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.778 -1.826 . . . . 0.0 115.112 160.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.6 -38.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 116.705 -3.747 . . . . 0.0 107.774 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.05 -45.84 83.69 Favored 'General case' 0 C--N 1.4 2.765 0 O-C-N 119.647 -1.908 . . . . 0.0 110.102 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.294 10.0 t80 -54.93 -49.86 70.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 166.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.275 60.8 tp -74.59 -19.88 60.14 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-O 114.884 -2.484 . . . . 0.0 106.652 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.656 ' O ' HG23 ' A' ' 72' ' ' VAL 0.276 36.9 t80 -55.13 -48.72 73.27 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 125.618 1.824 . . . . 0.0 115.682 162.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.87 -50.27 46.31 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 123.367 1.556 . . . . 0.0 113.524 173.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.89 -43.8 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.659 2.171 . . . . 0.0 111.333 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -57.94 -33.56 68.94 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 114.664 -2.589 . . . . 0.0 110.311 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 68' ' ' PHE . 97.1 t -62.19 -51.84 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 CA-C-N 125.599 3.818 . . . . 0.0 109.581 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.9 3.14 Favored Glycine 0 N--CA 1.515 3.959 0 O-C-N 126.839 2.587 . . . . 0.0 116.616 162.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.8 m -73.88 -22.8 59.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -168.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.1 tp -78.67 -27.78 45.24 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 120.702 -1.249 . . . . 0.0 114.34 166.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.13 -54.88 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 171.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.84 -23.06 62.26 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.18 -3.256 0 C-N-CA 127.569 2.509 . . . . 0.0 113.921 164.819 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.376 0.8 OUTLIER . . . . . 0 C--O 1.274 2.376 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 5.3 tm-20 -69.18 -42.53 75.73 Favored 'General case' 0 C--O 1.272 2.248 0 O-C-N 117.284 -3.385 . . . . 0.0 109.74 172.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.311 0.5 OUTLIER -60.01 -40.73 90.28 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 172.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -51.34 -46.3 62.6 Favored 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.07 -2.894 . . . . 0.0 116.456 159.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.261 13.9 t80 -59.94 -44.76 94.18 Favored 'General case' 0 C--N 1.393 2.468 0 O-C-N 125.381 1.676 . . . . 0.0 114.741 172.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.2 -34.09 70.54 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 120.468 -1.395 . . . . 0.0 109.093 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -66.12 -42.09 89.62 Favored 'General case' 0 N--CA 1.425 -1.688 0 O-C-N 120.348 -1.47 . . . . 0.0 114.605 168.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.75 -29.71 63.55 Favored 'General case' 0 C--O 1.174 -2.882 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -57.95 -56.64 19.34 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 127.705 2.402 . . . . 0.0 110.976 165.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.6 90.92 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 126.639 1.976 . . . . 0.0 109.409 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.328 1.3 p -70.96 -20.0 21.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 123.928 3.058 . . . . 0.0 114.807 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 18' ' ' LEU . 91.1 mt -84.85 -39.19 18.58 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 122.095 2.225 . . . . 0.0 115.762 169.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -53.43 -46.77 69.95 Favored 'General case' 0 N--CA 1.531 3.579 0 O-C-N 119.725 -1.859 . . . . 0.0 107.356 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.12 72.98 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.183 1.793 . . . . 0.0 114.441 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.68 -55.56 21.76 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.576 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -61.58 -30.79 70.9 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -31.47 63.06 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.426 2.2 m -52.03 -42.28 62.94 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 128.312 2.645 . . . . 0.0 112.037 155.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.87 -40.59 79.18 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 125.366 2.507 . . . . 0.0 112.37 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.97 -49.06 74.02 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.219 -3.426 . . . . 0.0 109.771 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.191 -2.0 0 O-C-N 124.985 1.428 . . . . 0.0 110.775 -177.452 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 . . . . . 0 C--O 1.165 -3.393 0 CA-C-O 115.93 -1.986 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m -69.24 -41.44 76.97 Favored 'General case' 0 C--O 1.203 -1.366 0 C-N-CA 129.326 3.05 . . . . 0.0 108.265 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.92 -35.31 80.75 Favored 'General case' 0 N--CA 1.52 3.069 0 O-C-N 120.668 -1.27 . . . . 0.0 112.051 169.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.6 ttp -70.56 -35.74 73.24 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 128.61 2.764 . . . . 0.0 109.292 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 3.9 m-85 -73.37 -17.0 61.33 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 172.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.9 mt -82.5 -25.31 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 125.904 2.003 . . . . 0.0 115.574 169.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.11 -51.15 67.69 Favored 'General case' 0 C--O 1.185 -2.331 0 CA-C-O 123.748 1.737 . . . . 0.0 108.972 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.552 24.8 t80 -52.96 -26.75 16.13 Favored 'General case' 0 C--O 1.282 2.767 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 160.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.471 0.3 OUTLIER -77.48 -31.9 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.921 0 N-CA-C 119.779 3.252 . . . . 0.0 119.779 164.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.7 -24.85 63.64 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 125.496 2.57 . . . . 0.0 111.435 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.345 72.6 t80 -61.69 -71.73 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 162.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.86 -32.94 2.87 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 125.189 2.423 . . . . 0.0 116.121 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.36 -57.77 10.85 Favored 'General case' 0 CA--C 1.603 2.994 0 CA-C-N 112.645 -2.07 . . . . 0.0 115.411 169.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.96 64.8 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 120.325 1.42 . . . . 0.0 114.25 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.84 -37.27 54.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-O 116.307 -1.806 . . . . 0.0 106.503 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 1.7 m -79.17 -14.3 59.18 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.4 t -72.96 -32.37 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 125.071 1.482 . . . . 0.0 108.289 162.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.72 -42.88 37.71 Favored Glycine 0 CA--C 1.573 3.685 1 O-C-N 115.896 -4.253 . . . . 0.0 108.737 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 20.0 m -64.85 -27.56 68.95 Favored 'General case' 0 CA--C 1.487 -1.476 1 CA-C-N 107.463 -4.368 . . . . 0.0 109.636 -176.302 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.16 -43.17 92.66 Favored 'General case' 0 C--N 1.391 2.39 0 O-C-N 120.989 -1.069 . . . . 0.0 111.955 166.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.284 27.4 mt -61.08 -51.4 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.685 0 CA-C-O 115.461 -2.209 . . . . 0.0 109.811 171.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.58 -26.46 67.12 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 123.68 1.705 . . . . 0.0 113.554 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-N 113.359 -1.746 . . . . 0.0 115.594 169.182 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.428 -1.533 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -49.54 -49.3 46.7 Favored 'General case' 0 CA--C 1.614 3.439 0 CA-C-O 124.85 2.262 . . . . 0.0 110.145 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.1 OUTLIER -57.08 -21.53 32.48 Favored 'General case' 0 N--CA 1.512 2.673 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 173.458 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -83.76 -47.57 11.02 Favored 'General case' 0 C--O 1.191 -2.022 0 C-N-CA 128.36 2.664 . . . . 0.0 109.54 165.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -58.71 -28.1 65.5 Favored 'General case' 0 C--N 1.388 2.256 0 O-C-N 118.073 -2.892 . . . . 0.0 111.363 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -65.26 -26.72 68.22 Favored 'General case' 0 C--O 1.267 2.012 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 163.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 t -76.08 -48.14 21.92 Favored 'General case' 0 C--O 1.262 1.758 0 CA-C-O 115.829 -2.034 . . . . 0.0 111.614 166.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.78 -38.75 16.32 Favored 'General case' 0 C--N 1.391 2.388 0 O-C-N 126.217 2.198 . . . . 0.0 111.321 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -66.74 -43.95 82.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.468 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -54.28 28.72 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 124.443 1.097 . . . . 0.0 110.316 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.6 t -47.29 -39.06 5.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 115.955 -1.974 . . . . 0.0 114.784 167.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.33 -30.46 48.18 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.805 2.093 . . . . 0.0 114.961 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -72.82 -28.78 62.76 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 120.414 1.461 . . . . 0.0 113.972 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.99 76.83 Favored 'General case' 0 N--CA 1.517 2.923 0 C-N-CA 129.413 3.085 . . . . 0.0 110.926 162.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.35 -33.25 64.99 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.546 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.17 -24.43 37.55 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 122.078 2.217 . . . . 0.0 107.908 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -61.78 1.84 Allowed 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 118.849 2.907 . . . . 0.0 118.849 158.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.409 0.2 OUTLIER -35.68 -28.79 0.01 OUTLIER 'General case' 0 C--O 1.261 1.707 1 N-CA-C 123.608 4.669 . . . . 0.0 123.608 157.624 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.274 34.3 mt -87.85 -51.53 5.79 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 114.315 -2.755 . . . . 0.0 115.131 170.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.13 -26.65 67.54 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.655 -1.64 . . . . 0.0 111.433 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.244 -3.987 0 CA-C-N 121.914 2.143 . . . . 0.0 115.739 167.458 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 . . . . . 0 CA--C 1.581 2.153 0 CA-C-O 125.065 2.364 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 p -75.86 -38.69 57.69 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 126.386 1.875 . . . . 0.0 112.262 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -62.0 -27.19 68.69 Favored 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 163.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.21 -39.09 86.26 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 125.774 1.922 . . . . 0.0 111.914 169.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.12 -24.28 66.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 114.824 -2.513 . . . . 0.0 116.158 158.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.99 -33.43 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-N 122.939 2.609 . . . . 0.0 108.696 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.0 -44.53 72.64 Favored 'General case' 0 CA--C 1.488 -1.422 0 O-C-N 125.629 1.831 . . . . 0.0 113.52 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.05 -20.34 57.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 117.701 2.482 . . . . 0.0 117.701 163.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.99 -24.84 5.32 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 113.722 -3.037 . . . . 0.0 105.955 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.252 53.0 mtt -70.74 -27.74 64.18 Favored 'General case' 0 N--CA 1.526 3.358 1 CA-C-N 126.662 4.301 . . . . 0.0 113.068 160.44 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -64.96 -52.44 56.29 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 119.527 -1.983 . . . . 0.0 115.489 160.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.88 -27.32 68.78 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 127.705 2.402 . . . . 0.0 109.076 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.503 5.9 t80 -54.88 -51.95 64.36 Favored 'General case' 0 C--N 1.4 2.761 1 O-C-N 113.388 -5.82 . . . . 0.0 119.715 162.29 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.34 71.84 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 168.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 C--O 1.28 2.699 0 C-N-CA 127.806 2.442 . . . . 0.0 111.285 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 2.6 m -69.58 -23.42 63.54 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 116.93 -3.606 . . . . 0.0 115.04 162.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.254 54.9 t -63.54 -42.24 95.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-O 125.088 2.375 . . . . 0.0 111.433 164.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.75 -44.29 95.03 Favored Glycine 0 N--CA 1.407 -3.28 1 O-C-N 115.342 -4.599 . . . . 0.0 110.876 174.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 41.3 m -70.74 -18.56 62.78 Favored 'General case' 0 CA--C 1.464 -2.347 0 O-C-N 125.684 1.461 . . . . 0.0 111.576 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.74 -46.8 14.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 122.661 2.482 . . . . 0.0 106.907 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 mt -54.46 -51.2 51.86 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.307 0 O-C-N 117.566 -3.209 . . . . 0.0 113.758 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.68 -20.72 65.94 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 118.671 -2.518 . . . . 0.0 110.273 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.838 0 CA-C-O 118.791 -1.005 . . . . 0.0 115.002 159.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 CA--C 1.483 -1.633 0 CA-C-O 116.085 -1.912 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.28 163.97 27.33 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 124.451 1.095 . . . . 0.0 111.901 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 t -67.28 169.17 9.21 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 127.601 2.36 . . . . 0.0 112.757 164.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.2 p -77.15 150.03 35.58 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.614 1.197 . . . . 0.0 110.419 -164.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -65.42 56.34 0.03 OUTLIER 'General case' 0 N--CA 1.528 3.468 0 C-N-CA 125.485 1.514 . . . . 0.0 109.081 154.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.91 -6.06 0.03 OUTLIER Glycine 0 C--O 1.277 2.788 0 O-C-N 118.416 -2.677 . . . . 0.0 118.515 -161.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -69.16 158.01 35.74 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 116.926 -3.691 . . . . 0.0 115.622 169.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.97 -36.33 84.05 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.074 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -74.64 -30.3 61.57 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 123.635 2.925 . . . . 0.0 115.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -60.87 -47.66 85.34 Favored 'General case' 0 C--O 1.185 -2.327 0 C-N-CA 127.236 2.214 . . . . 0.0 111.686 172.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.48 -37.99 79.65 Favored 'General case' 0 C--N 1.382 2.019 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.86 -24.25 64.33 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 118.601 2.815 . . . . 0.0 118.601 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -86.97 -36.04 18.51 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 116.088 -1.91 . . . . 0.0 108.227 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -37.31 87.13 Favored 'General case' 0 N--CA 1.529 3.497 0 O-C-N 126.798 2.562 . . . . 0.0 108.783 163.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -66.99 -39.08 87.05 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 120.817 1.644 . . . . 0.0 108.998 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.57 95.51 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 116.765 -3.709 . . . . 0.0 112.341 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.7 -36.64 76.22 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.202 0 C-N-CA 125.665 1.586 . . . . 0.0 110.952 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.38 -41.35 80.67 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 126.696 1.998 . . . . 0.0 114.485 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -64.76 -46.8 80.63 Favored 'General case' 1 N--CA 1.581 6.124 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.953 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.85 76.13 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 166.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 tp -65.49 -39.14 91.54 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 119.533 1.061 . . . . 0.0 108.559 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -65.68 -30.53 71.23 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 118.127 -2.858 . . . . 0.0 115.768 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.06 67.35 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 130.412 3.485 . . . . 0.0 116.208 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.279 53.0 m -64.02 -41.26 97.49 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.28 -61.15 1.91 Allowed 'General case' 0 N--CA 1.473 0.724 0 O-C-N 116.342 -3.974 . . . . 0.0 112.77 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -52.19 -50.25 62.26 Favored 'General case' 0 C--N 1.292 -1.923 1 CA-C-N 127.444 4.656 . . . . 0.0 112.551 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.322 55.5 p -56.23 -34.69 66.57 Favored 'General case' 0 CA--C 1.57 1.722 0 O-C-N 117.93 -2.981 . . . . 0.0 115.957 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -72.68 -54.47 8.91 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 124.24 1.016 . . . . 0.0 111.878 168.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -25.82 46.64 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 127.371 2.268 . . . . 0.0 116.4 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.5 -8.92 57.98 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 118.422 -2.674 . . . . 0.0 115.576 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . 0.451 97.2 m 61.92 44.22 8.53 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 166.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 137.02 96.98 Favored Pre-proline 0 CA--C 1.485 -1.544 0 O-C-N 119.468 -2.02 . . . . 0.0 107.675 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -64.44 142.98 80.85 Favored 'Trans proline' 0 N--CA 1.507 2.283 0 O-C-N 124.542 1.812 . . . . 0.0 111.544 171.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.88 164.85 46.91 Favored Glycine 0 CA--C 1.552 2.356 0 O-C-N 119.193 -2.192 . . . . 0.0 113.812 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.46 140.45 82.03 Favored 'Trans proline' 0 CA--C 1.509 -0.734 0 N-CA-C 121.836 3.744 . . . . 0.0 121.836 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.11 40.36 8.04 Favored Glycine 0 CA--C 1.559 2.828 0 CA-C-N 114.38 -1.282 . . . . 0.0 113.961 -168.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.7 tp -78.71 -37.56 41.22 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.243 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.22 175.64 32.24 Favored Glycine 0 C--N 1.364 2.104 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 161.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -60.63 133.43 48.42 Favored 'Trans proline' 0 C--N 1.292 -2.414 0 C-N-CA 121.959 1.773 . . . . 0.0 111.436 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.364 16.0 p30 -68.35 -29.28 67.98 Favored 'General case' 0 N--CA 1.532 3.655 0 O-C-N 118.739 -2.476 . . . . 0.0 114.777 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -70.96 7.86 1.07 Allowed 'General case' 0 CA--C 1.584 2.28 0 CA-C-O 115.306 -2.283 . . . . 0.0 116.12 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.66 88.07 0.23 Allowed 'General case' 0 C--N 1.38 1.911 0 CA-C-N 124.748 3.431 . . . . 0.0 117.653 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -64.21 151.17 44.23 Favored 'General case' 0 N--CA 1.522 3.164 0 O-C-N 119.542 -1.974 . . . . 0.0 111.846 -167.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -34.17 140.55 0.06 Allowed 'General case' 0 N--CA 1.527 3.423 0 O-C-N 116.836 -3.665 . . . . 0.0 114.346 153.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -124.1 178.41 5.33 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 170.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.292 46.8 ttt-85 -102.19 172.05 7.12 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 128.289 2.636 . . . . 0.0 110.029 167.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -63.56 162.8 12.21 Favored 'General case' 0 C--N 1.402 2.87 0 O-C-N 117.199 -3.438 . . . . 0.0 115.385 160.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.7 142.6 0.83 Allowed 'General case' 0 CA--C 1.592 2.596 0 C-N-CA 126.792 2.037 . . . . 0.0 113.896 154.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 t -148.18 76.33 1.37 Allowed 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 126.819 2.047 . . . . 0.0 109.114 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.89 151.58 93.05 Favored Pre-proline 0 N--CA 1.513 2.702 0 C-N-CA 129.257 3.023 . . . . 0.0 112.02 -164.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . 0.318 72.1 Cg_exo -43.53 144.83 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.407 0 N-CA-C 119.492 2.843 . . . . 0.0 119.492 -171.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.1 177.5 26.4 Favored Glycine 0 C--N 1.367 2.292 0 CA-C-O 125.566 2.759 . . . . 0.0 112.205 168.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -67.07 140.28 57.62 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 112.125 -2.037 . . . . 0.0 112.847 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.19 178.42 7.57 Favored 'General case' 0 C--O 1.186 -2.252 1 C-N-CA 131.748 4.019 . . . . 0.0 104.629 172.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -50.0 -52.63 32.38 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 129.582 3.153 . . . . 0.0 111.954 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.0 -36.06 79.36 Favored 'General case' 0 C--O 1.203 -1.387 0 O-C-N 126.438 2.336 . . . . 0.0 112.169 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.5 p -80.95 -22.69 39.39 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 117.441 2.385 . . . . 0.0 117.441 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' HA ' ' HB ' ' A' ' 61' ' ' ILE 0.275 29.6 t80 -57.08 -40.44 76.92 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 130.788 3.635 . . . . 0.0 120.801 148.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 75.3 mtm -82.65 -34.58 27.42 Favored 'General case' 0 CA--C 1.608 3.203 0 O-C-N 119.983 -1.698 . . . . 0.0 109.546 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -57.26 -29.39 63.79 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 117.118 -3.488 . . . . 0.0 114.707 158.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' HA ' ' HB ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -74.69 -32.42 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.513 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 172.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.26 -37.51 83.61 Favored 'General case' 0 CA--C 1.592 2.56 0 CA-C-O 124.243 1.973 . . . . 0.0 114.45 166.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -74.05 -20.84 60.16 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 61' ' ' ILE . 2.5 t -72.04 -44.09 66.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 123.901 0.881 . . . . 0.0 109.155 167.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.6 ttp -56.44 -33.84 66.25 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 118.803 -2.436 . . . . 0.0 113.356 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.279 19.6 t80 -66.88 -52.12 47.3 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 116.445 -3.909 . . . . 0.0 116.879 167.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.53 -28.86 70.14 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 114.361 -2.733 . . . . 0.0 105.578 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.369 6.1 t80 -62.0 -48.67 79.3 Favored 'General case' 0 C--O 1.246 0.886 1 CA-C-N 126.349 4.159 . . . . 0.0 118.381 166.831 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.71 68.72 Favored 'General case' 0 CA--C 1.595 2.709 0 CA-C-N 122.119 2.236 . . . . 0.0 113.807 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.14 -27.99 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.829 0 O-C-N 119.509 -1.994 . . . . 0.0 110.031 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 m -62.27 -25.49 67.87 Favored 'General case' 0 C--O 1.196 -1.744 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 167.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.28 57.5 t -64.56 -40.02 87.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.063 0 O-C-N 124.5 1.125 . . . . 0.0 111.539 167.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.29 -49.63 72.62 Favored Glycine 1 CA--C 1.626 7.004 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -71.06 -23.86 62.22 Favored 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 127.686 2.394 . . . . 0.0 105.479 -170.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.94 -53.0 29.67 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 125.579 3.809 . . . . 0.0 114.717 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.317 10.2 mt -56.48 -41.92 73.86 Favored 'Isoleucine or valine' 0 C--N 1.381 1.948 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.1 tp -78.88 -31.79 45.62 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.269 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -35.51 -55.31 1.01 Allowed Glycine 0 CA--C 1.547 2.091 0 N-CA-C 117.884 1.914 . . . . 0.0 117.884 153.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.257 24.6 m-85 -59.29 -50.86 72.35 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 163.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.285 87.5 m -63.57 -36.98 85.6 Favored 'General case' 0 N--CA 1.413 -2.298 0 CA-C-O 117.479 -1.248 . . . . 0.0 114.026 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -128.28 -33.97 2.11 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 120.057 3.354 . . . . 0.0 120.057 -169.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -82.22 -40.19 22.01 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-O 114.199 -2.81 . . . . 0.0 109.894 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . 0.258 42.3 ttt85 -67.05 116.36 7.78 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 126.231 2.207 . . . . 0.0 110.3 169.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.265 30.8 mtpp -114.1 57.27 0.7 Allowed 'General case' 0 N--CA 1.539 3.989 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 176.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.15 128.26 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -73.38 147.77 44.02 Favored 'General case' 0 C--O 1.291 3.26 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -50.28 153.43 1.49 Allowed 'General case' 0 CA--C 1.598 2.806 0 CA-C-N 120.567 1.531 . . . . 0.0 114.419 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . 0.29 59.9 mtm180 -74.24 -41.8 60.73 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.855 1.662 . . . . 0.0 114.305 162.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -159.97 156.3 26.9 Favored 'General case' 0 C--O 1.192 -1.929 1 C-N-CA 131.909 4.084 . . . . 0.0 113.833 -170.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.17 142.47 97.01 Favored Pre-proline 0 N--CA 1.505 2.303 0 N-CA-C 121.793 3.997 . . . . 0.0 121.793 -174.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.4 -27.49 39.82 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 N-CA-C 118.237 2.361 . . . . 0.0 118.237 -169.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -95.25 -35.18 11.92 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 126.002 1.721 . . . . 0.0 115.341 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -61.72 -38.01 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 130.3 3.44 . . . . 0.0 107.605 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.261 13.4 p -69.94 -20.24 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 123.254 2.752 . . . . 0.0 112.579 -174.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -92.53 10.07 31.85 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.61 116.8 7.89 Favored 'Isoleucine or valine' 0 C--O 1.262 1.746 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -60.12 -29.67 68.77 Favored 'General case' 0 C--O 1.195 -1.807 0 O-C-N 125.896 1.997 . . . . 0.0 116.28 -163.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.47 21.12 1.23 Allowed 'General case' 0 C--N 1.408 3.146 1 O-C-N 114.884 -4.885 . . . . 0.0 112.283 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -150.84 161.19 43.15 Favored 'General case' 0 C--O 1.247 0.936 0 O-C-N 118.168 -2.832 . . . . 0.0 110.676 161.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.68 135.43 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.509 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 129.1 37.17 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 117.913 -2.992 . . . . 0.0 110.58 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.5 ptp -133.05 92.77 3.07 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -171.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.427 -1.595 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 171.182 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -155.49 123.24 5.67 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.666 . . . . 0.0 115.369 172.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.263 5.0 t -137.95 -21.31 1.1 Allowed 'General case' 0 C--O 1.264 1.82 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 157.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER -76.34 62.55 1.82 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.366 -168.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -90.42 149.85 22.08 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -151.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.78 25.23 68.91 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 126.287 1.899 . . . . 0.0 115.222 167.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -73.42 147.86 43.83 Favored 'General case' 0 C--N 1.398 2.688 0 N-CA-C 120.098 3.37 . . . . 0.0 120.098 -164.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.65 -28.1 69.14 Favored 'General case' 0 CA--C 1.454 -2.725 0 CA-C-N 123.863 3.029 . . . . 0.0 116.019 168.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -68.64 -26.85 65.54 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 126.776 2.03 . . . . 0.0 112.216 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -83.68 -36.64 23.6 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 117.772 -3.08 . . . . 0.0 107.915 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.312 8.9 t80 -52.84 -43.56 66.12 Favored 'General case' 0 CA--C 1.621 3.674 0 CA-C-N 122.359 2.345 . . . . 0.0 115.19 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -22.85 63.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 t -78.47 -46.64 19.2 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 117.102 -3.499 . . . . 0.0 110.975 170.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' A' ' 17' ' ' VAL . 35.1 tp -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.554 1.124 1 O-C-N 115.976 -4.202 . . . . 0.0 117.755 167.244 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -43.85 78.39 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.375 170.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.04 89.59 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 14' ' ' LEU . 4.7 p -75.46 -28.06 19.7 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 116.168 -1.872 . . . . 0.0 111.428 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 mt -82.43 -28.67 31.2 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 122.476 2.398 . . . . 0.0 111.416 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.63 -38.75 60.84 Favored 'General case' 0 N--CA 1.516 2.838 0 CA-C-O 126.103 2.859 . . . . 0.0 116.033 163.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -34.24 20.93 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 111.326 -2.67 . . . . 0.0 109.414 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.53 -49.64 70.48 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 116.891 -1.528 . . . . 0.0 108.044 173.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.291 52.1 m-20 -47.67 -31.89 5.11 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.942 2.497 . . . . 0.0 117.424 166.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -45.77 14.45 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 117.581 -3.199 . . . . 0.0 110.141 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -24.31 64.71 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.286 54.2 tp -70.61 -44.0 68.16 Favored 'General case' 0 N--CA 1.428 -1.57 0 C-N-CA 123.895 0.878 . . . . 0.0 111.158 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -65.2 -38.08 89.34 Favored 'General case' 0 C--O 1.193 -1.875 0 C-N-CA 125.146 1.378 . . . . 0.0 111.292 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.252 62.1 p -76.45 -24.71 53.9 Favored 'General case' 0 C--O 1.269 2.124 0 C-N-CA 116.668 -2.013 . . . . 0.0 112.955 170.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -66.49 -44.51 82.43 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 127.429 2.292 . . . . 0.0 115.887 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.7 mt -62.65 -5.66 2.87 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 111.488 -2.596 . . . . 0.0 114.978 164.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -112.15 -23.58 10.35 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 118.326 2.713 . . . . 0.0 118.326 165.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.7 t -167.53 110.79 0.66 Allowed 'General case' 0 CA--C 1.467 -2.215 1 O-C-N 116.043 -4.161 . . . . 0.0 110.611 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 27.5 ttt85 -83.09 139.35 42.44 Favored Pre-proline 0 CA--C 1.585 2.323 0 C-N-CA 128.03 2.532 . . . . 0.0 105.341 -166.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 92.4 Cg_exo -63.37 157.49 50.08 Favored 'Trans proline' 0 CA--C 1.567 2.159 0 C-N-CA 124.678 3.585 . . . . 0.0 119.846 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.14 176.94 53.83 Favored Glycine 1 N--CA 1.532 5.05 0 CA-C-N 114.268 -1.333 . . . . 0.0 113.418 163.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.41 133.96 18.24 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 C-N-CA 123.192 2.595 . . . . 0.0 114.235 167.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.32 -151.35 16.92 Favored Glycine 0 C--O 1.178 -3.357 0 O-C-N 118.03 -2.919 . . . . 0.0 117.372 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.32 136.81 38.49 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 126.506 1.923 . . . . 0.0 110.925 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.73 -173.14 19.9 Favored Glycine 0 CA--C 1.478 -2.221 1 C-N-CA 130.772 4.034 . . . . 0.0 109.765 -166.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -64.24 158.57 47.85 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 O-C-N 117.598 -1.843 . . . . 0.0 112.647 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.302 5.9 p30 -79.42 -6.71 57.46 Favored 'General case' 0 CA--C 1.497 -1.063 1 N-CA-C 123.162 4.505 . . . . 0.0 123.162 -162.215 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -70.9 -26.3 63.16 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.262 73.2 mm-40 -59.33 154.86 15.72 Favored 'General case' 0 CA--C 1.597 2.778 0 C-N-CA 124.97 1.308 . . . . 0.0 108.307 169.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.298 1.2 m -92.88 113.22 25.43 Favored 'General case' 0 C--O 1.278 2.591 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -141.1 139.64 34.03 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 127.64 3.087 . . . . 0.0 109.981 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.15 129.24 39.33 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 117.825 -3.047 . . . . 0.0 110.054 165.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -143.26 166.2 25.38 Favored 'General case' 1 N--CA 1.54 4.037 0 C-N-CA 130.619 3.568 . . . . 0.0 114.933 -172.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -52.05 144.41 12.12 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 125.788 2.708 . . . . 0.0 114.633 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . 0.263 . . -73.08 -38.67 66.34 Favored 'General case' 0 CA--C 1.56 1.347 0 O-C-N 117.958 -2.964 . . . . 0.0 110.189 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -79.37 31.26 0.22 Allowed 'General case' 0 C--N 1.386 2.167 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 -172.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.79 159.0 42.36 Favored Pre-proline 0 CA--C 1.588 2.41 0 O-C-N 119.526 -1.984 . . . . 0.0 108.361 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.42 136.63 60.37 Favored 'Trans proline' 0 N--CA 1.437 -1.812 0 N-CA-C 117.42 2.046 . . . . 0.0 117.42 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.62 168.71 54.54 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.372 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . 0.466 12.2 tpp180 -45.12 -38.36 5.07 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.36 129.78 35.01 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 121.191 3.774 . . . . 0.0 121.191 -172.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.69 -24.2 66.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.278 27.6 t30 -80.29 -47.93 13.79 Favored 'General case' 0 CA--C 1.473 -2.004 0 O-C-N 125.813 1.946 . . . . 0.0 112.513 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 p -76.96 -34.58 57.57 Favored 'General case' 0 C--O 1.174 -2.92 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.627 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.31 25.1 t80 -47.3 -45.81 24.52 Favored 'General case' 0 N--CA 1.41 -2.437 0 C-N-CA 127.422 2.289 . . . . 0.0 115.379 158.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.2 ttp -64.21 -48.83 74.34 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 120.219 -1.55 . . . . 0.0 110.861 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.313 65.2 m-85 -51.27 -20.89 1.82 Allowed 'General case' 0 CA--C 1.566 1.583 0 O-C-N 118.314 -2.741 . . . . 0.0 118.018 164.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.283 1.2 mp -78.61 -38.77 22.43 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.942 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.74 -33.99 73.21 Favored 'General case' 0 CA--C 1.556 1.199 0 O-C-N 120.861 -1.149 . . . . 0.0 110.935 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -68.57 -18.2 64.29 Favored 'General case' 0 N--CA 1.411 -2.414 0 O-C-N 116.781 -3.7 . . . . 0.0 117.399 162.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.31 -31.69 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 126.329 1.852 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 35.4 ttm -57.37 -45.96 83.87 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 130.071 3.348 . . . . 0.0 109.009 161.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.01 -36.93 84.62 Favored 'General case' 0 C--O 1.172 -2.986 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.5 tp -66.27 -28.77 68.97 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 118.077 -2.89 . . . . 0.0 113.135 167.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.82 -53.24 60.13 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 116.239 -1.839 . . . . 0.0 108.548 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.21 70.99 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 123.524 2.874 . . . . 0.0 113.525 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -75.48 -34.35 29.57 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 C-N-CA 126.866 2.066 . . . . 0.0 112.273 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 53.6 m -74.04 -24.8 59.59 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 117.173 -3.455 . . . . 0.0 111.744 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.5 -41.71 93.64 Favored 'Isoleucine or valine' 0 C--O 1.259 1.591 0 CA-C-N 124.053 3.115 . . . . 0.0 107.291 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.76 -35.09 26.05 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 120.359 -1.463 . . . . 0.0 114.107 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 43.2 m -54.47 -37.94 65.83 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 155.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.255 17.4 mt -69.41 -44.23 71.83 Favored 'General case' 0 N--CA 1.512 2.627 0 O-C-N 119.32 -2.113 . . . . 0.0 109.433 -176.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.53 -57.6 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.079 0 O-C-N 118.96 -2.337 . . . . 0.0 116.346 165.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.55 -24.27 65.51 Favored 'General case' 0 CA--C 1.606 3.131 0 O-C-N 119.292 -2.13 . . . . 0.0 115.016 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.13 -45.45 95.29 Favored Glycine 0 CA--C 1.57 3.483 0 O-C-N 120.982 -1.074 . . . . 0.0 113.054 161.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.52 -30.32 66.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.273 7.4 p -84.89 -46.52 11.22 Favored 'General case' 0 CA--C 1.482 -1.664 0 O-C-N 118.488 -2.632 . . . . 0.0 114.426 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -107.44 -51.41 2.92 Favored 'General case' 0 CA--C 1.477 -1.85 1 O-C-N 115.78 -4.325 . . . . 0.0 114.724 -166.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.3 p -85.72 -44.01 12.89 Favored 'General case' 0 N--CA 1.417 -2.081 0 CA-C-N 120.327 1.422 . . . . 0.0 110.296 -166.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -70.1 -33.53 71.98 Favored 'General case' 0 C--N 1.381 1.953 0 O-C-N 118.7 -2.5 . . . . 0.0 110.636 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.88 17.47 0.17 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 130.737 3.615 . . . . 0.0 114.699 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.295 3.6 m -85.85 143.68 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 C-N-CA 127.472 2.309 . . . . 0.0 115.464 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -56.84 115.17 2.43 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.136 1.374 . . . . 0.0 111.314 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -57.75 149.18 22.73 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 119.956 -1.715 . . . . 0.0 111.808 163.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttt-85 -63.47 -43.29 97.77 Favored 'General case' 0 C--O 1.289 3.175 0 O-C-N 119.981 -1.699 . . . . 0.0 107.988 163.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -67.64 137.82 55.89 Favored 'General case' 0 N--CA 1.518 2.956 0 C-N-CA 127.713 2.405 . . . . 0.0 117.118 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 91' ' ' PRO 0.281 2.7 t70 -71.35 116.8 50.89 Favored Pre-proline 0 N--CA 1.507 2.382 0 CA-C-O 114.453 -2.689 . . . . 0.0 116.978 -170.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 90' ' ' ASP . 13.4 Cg_exo -65.27 -24.6 57.94 Favored 'Trans proline' 0 N--CA 1.428 -2.336 0 C-N-CA 121.736 1.624 . . . . 0.0 114.39 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.64 -39.27 90.72 Favored 'General case' 0 C--O 1.296 3.513 0 O-C-N 119.121 -2.237 . . . . 0.0 112.62 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -29.68 21.59 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-N 121.025 1.738 . . . . 0.0 113.698 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.73 -29.9 14.67 Favored 'Isoleucine or valine' 0 C--O 1.275 2.444 0 C-N-CA 118.4 -1.32 . . . . 0.0 110.022 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.31 10.4 t80 -67.21 -40.63 86.47 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.848 2.536 . . . . 0.0 117.848 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 pt -73.55 141.82 15.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.324 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -74.8 -57.13 4.11 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 118.952 2.945 . . . . 0.0 118.952 -155.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.35 49.48 1.44 Allowed 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 123.971 1.843 . . . . 0.0 112.161 166.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -69.38 166.24 19.06 Favored 'General case' 0 C--N 1.345 0.378 0 O-C-N 117.342 -3.349 . . . . 0.0 113.911 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 m -78.68 135.68 25.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 127.076 3.322 . . . . 0.0 110.517 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.4 m -68.46 173.05 5.3 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 129.727 3.211 . . . . 0.0 110.23 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.5 ptm -64.19 144.59 57.01 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 113.84 -1.527 . . . . 0.0 114.873 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 CA--C 1.595 2.699 1 CA-C-O 111.436 -4.126 . . . . 0.0 105.528 172.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 114.264 -2.779 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.75 153.76 20.03 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 126.253 2.221 . . . . 0.0 112.164 168.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.287 0.7 OUTLIER -122.15 -8.76 8.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 CA-C-O 126.374 2.988 . . . . 0.0 116.866 -176.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.297 0.2 OUTLIER -42.16 134.33 2.84 Favored 'General case' 0 N--CA 1.518 2.946 1 O-C-N 115.598 -4.439 . . . . 0.0 116.491 169.71 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -67.85 143.23 55.85 Favored 'General case' 0 CA--C 1.594 2.661 0 O-C-N 117.911 -2.993 . . . . 0.0 108.731 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.77 -166.95 23.49 Favored Glycine 1 N--CA 1.536 5.358 0 CA-C-O 124.058 1.921 . . . . 0.0 109.015 170.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 p -53.69 159.86 1.48 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 111.277 -2.461 . . . . 0.0 116.107 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -45.53 -50.03 13.28 Favored 'General case' 0 CA--C 1.563 1.478 0 O-C-N 127.423 2.952 . . . . 0.0 113.1 161.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -24.65 61.76 Favored 'General case' 0 N--CA 1.515 2.779 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.353 26.7 t-105 -52.63 -54.65 30.27 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.479 -1.288 . . . . 0.0 113.889 158.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -63.78 -25.05 68.01 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.503 -1.373 . . . . 0.0 112.113 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.367 7.9 tp10 -66.92 -30.66 70.87 Favored 'General case' 0 C--O 1.182 -2.459 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 168.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -72.18 -44.87 62.35 Favored 'General case' 0 N--CA 1.526 3.357 0 CA-C-N 109.464 -3.516 . . . . 0.0 108.667 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 mt -69.45 -14.32 62.82 Favored 'General case' 0 C--O 1.188 -2.152 0 CA-C-O 115.403 -2.236 . . . . 0.0 114.459 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -82.48 -35.41 27.46 Favored 'General case' 0 C--O 1.187 -2.197 0 O-C-N 124.983 1.427 . . . . 0.0 113.638 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.7 94.18 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 120.042 -1.661 . . . . 0.0 113.766 170.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.384 0.3 OUTLIER -65.25 -42.27 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.68 -50.09 55.66 Favored 'General case' 0 N--CA 1.387 -3.617 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.68 -38.75 88.96 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 112.294 -2.23 . . . . 0.0 111.532 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.72 65.14 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 126.632 2.458 . . . . 0.0 114.616 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.83 -36.75 82.07 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 118.808 -1.157 . . . . 0.0 113.928 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.73 -43.84 75.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 125.045 1.338 . . . . 0.0 111.026 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.6 84.18 Favored 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.936 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -51.78 -32.14 29.87 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.949 2.656 . . . . 0.0 114.607 162.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.9 tp -81.61 -42.38 20.13 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 121.742 2.065 . . . . 0.0 111.315 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -62.24 -13.79 31.63 Favored 'General case' 0 N--CA 1.535 3.813 0 O-C-N 121.146 -0.971 . . . . 0.0 111.935 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.3 t -76.32 -51.64 11.54 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.558 -1.339 . . . . 0.0 110.905 162.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -66.81 -30.11 70.22 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-O 115.035 -2.412 . . . . 0.0 109.692 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.06 -27.59 60.04 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 123.117 2.69 . . . . 0.0 112.624 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.252 3.2 tm? -79.06 -29.45 43.45 Favored 'General case' 0 C--O 1.188 -2.141 0 O-C-N 119.654 -1.904 . . . . 0.0 106.105 173.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.6 m -82.94 161.28 21.87 Favored 'General case' 0 N--CA 1.403 -2.812 0 C-N-CA 126.023 1.729 . . . . 0.0 112.716 176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.404 11.1 ptm180 -79.53 136.52 55.86 Favored Pre-proline 0 C--O 1.273 2.291 0 C-N-CA 127.972 2.509 . . . . 0.0 109.93 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.47 174.12 12.28 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 121.144 1.229 . . . . 0.0 114.827 -172.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.84 25.34 Favored Glycine 1 CA--C 1.579 4.056 0 C-N-CA 127.394 2.426 . . . . 0.0 113.242 -163.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 53' ' ' ARG 0.325 26.7 Cg_exo -56.93 159.2 15.09 Favored 'Trans proline' 0 N--CA 1.503 2.081 1 C-N-CA 126.491 4.794 . . . . 0.0 117.335 -176.265 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.32 177.24 22.0 Favored Glycine 0 CA--C 1.565 3.208 1 C-N-CA 131.209 4.243 . . . . 0.0 112.622 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 tp -97.85 -10.01 25.42 Favored 'General case' 0 CA--C 1.566 1.596 0 O-C-N 121.377 -1.072 . . . . 0.0 110.904 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.61 155.22 21.72 Favored Glycine 0 CA--C 1.56 2.892 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 170.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -77.45 143.79 22.17 Favored 'Trans proline' 0 C--O 1.278 2.504 0 CA-C-N 123.174 3.487 . . . . 0.0 108.095 -168.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.274 58.1 m-20 -60.17 -15.81 27.24 Favored 'General case' 0 N--CA 1.538 3.951 0 CA-C-N 112.362 -2.199 . . . . 0.0 116.782 -161.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -114.69 5.2 15.27 Favored 'General case' 0 C--O 1.274 2.361 0 O-C-N 121.805 -0.56 . . . . 0.0 111.339 -170.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.71 117.17 8.47 Favored 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -170.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.38 1.4 p -80.74 -26.49 37.31 Favored 'General case' 0 C--N 1.273 -2.734 0 C-N-CA 129.467 3.107 . . . . 0.0 114.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.15 154.36 29.37 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.608 165.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -90.28 76.69 6.77 Favored 'General case' 1 N--CA 1.362 -4.863 0 C-N-CA 128.244 2.618 . . . . 0.0 114.859 170.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -78.57 152.23 31.98 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 116.816 -3.677 . . . . 0.0 112.511 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -119.74 110.14 16.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.842 1.338 . . . . 0.0 113.419 -165.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 170.28 3.81 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 126.035 1.734 . . . . 0.0 115.464 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.3 p -136.0 -68.57 0.5 Allowed 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 mt -80.11 155.31 74.9 Favored Pre-proline 0 C--N 1.272 -2.779 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -52.81 151.99 18.44 Favored 'Trans proline' 0 N--CA 1.436 -1.868 0 N-CA-C 118.875 2.606 . . . . 0.0 118.875 169.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 170.37 13.06 Favored Glycine 0 C--O 1.263 1.926 0 C-N-CA 130.135 3.731 . . . . 0.0 113.02 -171.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' PRO . 12.5 ttt180 -81.84 149.67 28.2 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 -175.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.66 117.01 5.31 Favored 'General case' 0 N--CA 1.404 -2.75 0 C-N-CA 129.384 3.074 . . . . 0.0 113.657 -169.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -64.71 -29.61 70.6 Favored 'General case' 0 C--N 1.368 1.4 1 O-C-N 111.371 -7.081 . . . . 0.0 120.454 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -61.38 -37.8 84.72 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 126.699 2.499 . . . . 0.0 113.297 166.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -74.14 -28.62 61.41 Favored 'General case' 0 CA--C 1.464 -2.351 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.397 25.1 m-85 -69.52 -27.83 65.52 Favored 'General case' 0 C--O 1.176 -2.8 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 161.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mmm -71.63 -38.55 70.75 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.449 -2.215 . . . . 0.0 112.534 162.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.9 -27.8 53.73 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 122.583 2.447 . . . . 0.0 116.844 160.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -73.69 -25.35 20.63 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.209 0 CA-C-O 117.532 -1.223 . . . . 0.0 112.508 173.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 62' ' ' LEU . 61.7 mt -63.3 -43.9 96.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 120.647 1.567 . . . . 0.0 109.834 163.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.267 36.3 t80 -63.82 -22.12 66.76 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 127.313 2.883 . . . . 0.0 112.944 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.395 0.4 OUTLIER -94.17 -18.56 6.85 Favored 'Isoleucine or valine' 0 C--N 1.372 1.545 0 O-C-N 117.647 -3.158 . . . . 0.0 116.454 178.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.282 19.5 mtm -66.36 -43.73 85.17 Favored 'General case' 0 CA--C 1.602 2.96 0 O-C-N 120.117 -1.615 . . . . 0.0 111.254 154.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.15 -49.94 75.95 Favored 'General case' 0 CA--C 1.592 2.561 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.81 -38.4 81.85 Favored 'General case' 0 C--N 1.409 3.195 0 O-C-N 118.352 -2.717 . . . . 0.0 111.785 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.327 63.3 t80 -47.73 -51.91 20.43 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 117.613 2.449 . . . . 0.0 117.613 172.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.17 75.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 125.548 1.78 . . . . 0.0 112.203 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.01 -37.79 77.6 Favored 'Isoleucine or valine' 0 C--N 1.387 2.233 0 C-N-CA 127.406 2.282 . . . . 0.0 112.465 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -73.61 -15.47 61.27 Favored 'General case' 0 CA--C 1.485 -1.544 0 N-CA-C 121.305 3.817 . . . . 0.0 121.305 164.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.36 -49.93 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 164.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.74 -32.46 36.98 Favored Glycine 0 CA--C 1.488 -1.609 0 CA-C-N 119.735 1.152 . . . . 0.0 110.38 -168.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 t -61.39 -31.25 71.16 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 167.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.86 -52.5 42.79 Favored 'General case' 0 C--N 1.386 2.154 0 O-C-N 119.026 -2.296 . . . . 0.0 110.362 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.9 mt -56.79 -49.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 CA-C-O 121.697 0.761 . . . . 0.0 111.75 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.8 -38.57 64.66 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 161.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.19 8.3 Favored Glycine 0 CA--C 1.544 1.901 0 CA-C-O 118.719 -1.045 . . . . 0.0 115.508 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -56.76 -42.11 78.76 Favored 'General case' 0 C--N 1.381 1.951 0 O-C-N 128.386 3.051 . . . . 0.0 117.815 169.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -72.52 -47.67 46.54 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 125.856 1.972 . . . . 0.0 113.095 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.52 -41.99 0.5 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.34 -22.87 47.37 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 -157.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -119.8 130.04 54.73 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 117.447 -1.263 . . . . 0.0 113.156 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 84' ' ' LYS . 2.2 tppp? 53.14 53.33 12.08 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -51.47 137.62 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.73 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.9 -37.47 70.09 Favored 'General case' 0 C--O 1.276 2.49 0 C-N-CA 128.445 2.698 . . . . 0.0 116.487 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -67.68 156.97 35.64 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 126.954 2.102 . . . . 0.0 108.663 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.9 ptt-85 -137.95 31.42 2.46 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 118.342 -2.724 . . . . 0.0 107.976 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 m -126.64 130.41 50.39 Favored 'General case' 0 CA--C 1.477 -1.832 0 O-C-N 121.62 -0.675 . . . . 0.0 109.831 -174.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.322 12.8 p30 -78.42 161.29 70.5 Favored Pre-proline 0 C--N 1.311 -1.107 0 C-N-CA 131.625 3.97 . . . . 0.0 113.06 162.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -61.48 -21.58 72.29 Favored 'Trans proline' 0 N--CA 1.488 1.153 0 C-N-CA 122.057 1.838 . . . . 0.0 115.005 168.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.31 3.3 m-85 -60.82 -37.28 81.49 Favored 'General case' 0 CA--C 1.589 2.46 0 N-CA-C 119.023 2.972 . . . . 0.0 119.023 164.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -47.22 -34.72 6.72 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 166.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.78 -29.43 47.38 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 120.639 -1.288 . . . . 0.0 114.162 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -87.73 -31.67 19.55 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 130.724 3.609 . . . . 0.0 118.508 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 tt -138.11 125.31 28.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.828 0 CA-C-O 123.935 1.826 . . . . 0.0 112.55 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -71.51 -21.61 61.89 Favored 'General case' 1 N--CA 1.548 4.426 0 CA-C-O 126.724 3.154 . . . . 0.0 112.846 -170.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -78.73 -14.02 59.51 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 117.416 -3.303 . . . . 0.0 113.0 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -55.66 137.7 48.77 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 122.684 2.493 . . . . 0.0 115.057 -174.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.1 146.91 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.345 0 O-C-N 126.638 2.461 . . . . 0.0 112.18 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 p -73.81 154.92 39.31 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 117.942 -2.974 . . . . 0.0 108.898 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.8 ttt -61.22 144.99 52.75 Favored 'General case' 0 N--CA 1.406 -2.631 0 C-N-CA 129.388 3.075 . . . . 0.0 115.829 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.19 0 O-C-N 126.042 2.088 . . . . 0.0 116.603 150.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 C--O 1.191 -1.981 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -152.7 7.12 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 130.644 3.578 . . . . 0.0 118.482 -154.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 t -164.12 166.73 20.99 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 127.498 2.319 . . . . 0.0 113.568 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.397 0.8 OUTLIER -92.92 70.56 4.66 Favored 'General case' 0 CA--C 1.475 -1.937 0 C-N-CA 130.451 3.5 . . . . 0.0 115.61 -172.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -70.67 123.34 21.66 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 113.604 -1.634 . . . . 0.0 110.864 168.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.43 -179.35 41.01 Favored Glycine 1 N--CA 1.536 5.364 0 O-C-N 117.502 -3.249 . . . . 0.0 116.215 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -140.83 173.09 11.83 Favored 'General case' 0 C--O 1.274 2.365 0 O-C-N 118.644 -2.68 . . . . 0.0 114.741 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -33.32 75.67 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 115.582 -2.151 . . . . 0.0 113.01 168.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 m -78.42 -32.44 48.64 Favored 'General case' 0 C--O 1.191 -2.013 0 CA-C-O 125.464 2.554 . . . . 0.0 114.543 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -61.97 -48.8 78.74 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-O 113.206 -3.283 . . . . 0.0 110.963 156.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.317 34.5 t80 -56.32 -51.4 68.38 Favored 'General case' 0 C--N 1.306 -1.315 1 CA-C-N 128.786 5.266 . . . . 0.0 115.166 174.947 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -62.1 -25.94 68.01 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.754 2.534 . . . . 0.0 116.339 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -82.68 -35.85 26.46 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 119.371 -2.081 . . . . 0.0 111.799 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.75 -33.39 74.75 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 165.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' ND1' ' HE2' ' A' ' 19' ' ' LYS . 57.4 t-80 -61.81 -51.16 69.39 Favored 'General case' 0 N--CA 1.535 3.81 0 CA-C-O 115.848 -2.025 . . . . 0.0 108.514 162.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.75 6.42 Favored 'General case' 0 N--CA 1.519 2.987 0 CA-C-N 122.184 2.266 . . . . 0.0 112.677 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.322 0.3 OUTLIER -57.63 -36.45 54.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -178.498 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.61 -31.91 62.17 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.493 -2.004 . . . . 0.0 114.682 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE2' ' ND1' ' A' ' 15' ' ' HIS . 18.3 mtmt -63.18 -32.71 74.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 127.543 3.027 . . . . 0.0 114.427 166.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.25 66.78 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.791 1.307 . . . . 0.0 111.732 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.0 -47.91 78.46 Favored 'General case' 0 CA--C 1.592 2.582 0 O-C-N 119.364 -2.085 . . . . 0.0 108.74 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -60.7 -27.81 68.17 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-O 123.524 1.63 . . . . 0.0 111.009 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.85 -29.95 13.93 Favored 'General case' 0 CA--C 1.595 2.692 1 O-C-N 115.784 -4.322 . . . . 0.0 109.931 -167.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.25 1.1 t -63.3 -33.9 76.51 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 124.521 2.105 . . . . 0.0 110.89 161.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.51 -37.46 68.36 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 118.84 -2.413 . . . . 0.0 114.762 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -64.42 -46.83 81.55 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 113.85 -2.976 . . . . 0.0 112.003 161.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -55.1 -34.93 64.1 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 122.975 2.625 . . . . 0.0 116.394 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.23 -52.74 10.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.17 -23.08 67.01 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 126.153 1.781 . . . . 0.0 115.097 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.41 21.83 15.3 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-N 119.848 1.203 . . . . 0.0 109.615 174.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.15 163.91 22.75 Favored 'General case' 0 C--O 1.187 -2.207 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.326 11.7 mpt_? -70.09 116.66 46.58 Favored Pre-proline 0 N--CA 1.532 3.63 0 CA-C-O 112.707 -3.52 . . . . 0.0 114.799 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -64.22 136.84 53.51 Favored 'Trans proline' 0 N--CA 1.429 -2.286 0 CA-C-N 124.135 2.512 . . . . 0.0 114.161 165.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.09 163.56 13.59 Favored Glycine 1 CA--C 1.58 4.108 0 CA-C-O 117.589 -1.673 . . . . 0.0 112.772 -164.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -66.34 -30.29 45.12 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.895 3.73 . . . . 0.0 109.327 -166.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.46 140.7 34.07 Favored Glycine 0 C--N 1.38 3.019 1 O-C-N 115.539 -4.475 . . . . 0.0 111.418 -175.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -102.3 29.97 4.84 Favored 'General case' 0 C--N 1.27 -2.861 0 O-C-N 119.781 -2.011 . . . . 0.0 108.45 -163.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.36 38.53 Favored Glycine 0 CA--C 1.541 1.717 0 O-C-N 126.37 2.293 . . . . 0.0 111.604 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.1 147.43 53.77 Favored 'Trans proline' 0 CA--C 1.56 1.8 0 C-N-CA 124.408 3.405 . . . . 0.0 110.872 -172.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.56 2.1 p30 -55.69 -22.62 24.23 Favored 'General case' 0 CA--C 1.581 2.153 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 -166.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -91.56 4.56 52.33 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 120.861 3.652 . . . . 0.0 120.861 -171.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -145.33 167.84 21.92 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 117.034 -3.541 . . . . 0.0 110.69 -170.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -152.09 151.73 31.47 Favored 'General case' 0 N--CA 1.522 3.166 0 O-C-N 120.768 -1.208 . . . . 0.0 108.959 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -45.16 108.64 0.13 Allowed 'General case' 0 C--O 1.265 1.92 0 CA-C-N 112.963 -1.926 . . . . 0.0 116.085 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.09 130.61 42.58 Favored 'General case' 0 C--N 1.302 -1.461 2 CA-C-N 126.249 4.113 . . . . 0.0 110.064 169.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -56.09 135.05 53.05 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 112.759 -2.019 . . . . 0.0 112.077 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.265 7.4 mpt_? -110.08 172.43 6.86 Favored 'General case' 0 CA--C 1.475 -1.919 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 167.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . 0.319 . . -77.78 166.38 23.01 Favored 'General case' 0 CA--C 1.569 1.707 0 O-C-N 118.744 -2.473 . . . . 0.0 117.083 166.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -81.93 45.1 0.88 Allowed 'General case' 0 N--CA 1.519 2.992 0 CA-C-O 126.392 2.996 . . . . 0.0 117.387 -172.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD23 ' HD2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -148.36 152.69 39.39 Favored Pre-proline 0 N--CA 1.525 3.286 0 CA-C-N 109.058 -3.701 . . . . 0.0 113.1 -165.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' HD2' HD23 ' A' ' 50' ' ' LEU . 52.9 Cg_exo -57.53 149.31 67.55 Favored 'Trans proline' 0 C--N 1.396 3.027 0 C-N-CA 124.108 3.205 . . . . 0.0 113.674 174.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.72 132.99 7.26 Favored Glycine 1 CA--C 1.59 4.767 0 C-N-CA 126.822 2.153 . . . . 0.0 113.08 -174.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -154.29 -5.37 0.16 Allowed 'General case' 0 N--CA 1.51 2.542 0 C-N-CA 127.821 2.448 . . . . 0.0 112.195 169.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -143.69 169.43 17.77 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 115.21 -2.328 . . . . 0.0 106.69 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -13.15 62.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 114.771 -2.537 . . . . 0.0 112.078 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.36 -47.36 8.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 126.142 2.151 . . . . 0.0 116.412 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.7 p -52.21 -41.73 62.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.293 1.437 . . . . 0.0 109.544 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.42 -29.28 64.71 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 117.729 -3.107 . . . . 0.0 116.812 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.8 tpt -67.41 -46.81 72.1 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.422 1.701 . . . . 0.0 108.421 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.89 -33.63 57.11 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.039 0.936 . . . . 0.0 108.769 172.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.55 -38.08 72.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.977 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 62' ' ' LEU . 30.4 tp -50.88 -43.76 59.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.723 -1.861 . . . . 0.0 107.797 167.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.257 0.7 OUTLIER -68.93 -23.23 64.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 118.673 -2.517 . . . . 0.0 116.305 169.563 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -26.02 14.02 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.378 0 O-C-N 127.544 3.028 . . . . 0.0 115.23 175.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttp -65.86 -47.04 76.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.787 -1.195 . . . . 0.0 111.361 162.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.37 6.5 t80 -51.27 -56.66 11.81 Favored 'General case' 0 N--CA 1.533 3.712 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 164.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.36 -37.25 55.71 Favored 'General case' 0 N--CA 1.508 2.451 0 C-N-CA 125.97 1.708 . . . . 0.0 107.719 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.284 17.5 t80 -57.71 -38.76 75.82 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -28.49 65.25 Favored 'General case' 0 N--CA 1.515 2.794 0 C-N-CA 116.284 -2.166 . . . . 0.0 114.227 170.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.43 -36.2 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 124.875 1.359 . . . . 0.0 112.955 171.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.7 m -68.2 -28.34 67.17 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.808 1.318 . . . . 0.0 113.901 170.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.22 -45.43 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.247 0 O-C-N 118.392 -2.692 . . . . 0.0 111.327 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.82 -60.0 9.39 Favored Glycine 0 C--O 1.198 -2.107 0 CA-C-O 117.61 -1.661 . . . . 0.0 114.34 166.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . 0.364 6.1 m -46.09 -34.79 4.42 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 126.016 1.726 . . . . 0.0 112.587 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.67 -41.42 68.72 Favored 'General case' 0 CA--C 1.468 -2.197 0 O-C-N 118.584 -2.573 . . . . 0.0 113.708 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--O 1.271 2.233 0 O-C-N 120.43 -1.418 . . . . 0.0 108.801 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.39 -42.17 96.28 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.411 2.284 . . . . 0.0 112.387 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.18 73.44 Favored Glycine 0 N--CA 1.431 -1.652 0 CA-C-N 122.592 2.451 . . . . 0.0 110.193 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.358 9.9 m-85 -60.58 -24.73 65.68 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 121.372 2.586 . . . . 0.0 117.382 157.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.419 0.2 OUTLIER -96.1 4.08 52.81 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 118.32 2.711 . . . . 0.0 118.32 175.693 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -159.64 -59.57 0.06 Allowed 'General case' 0 N--CA 1.512 2.653 0 O-C-N 120.268 -1.52 . . . . 0.0 109.57 -164.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -66.0 -38.32 88.17 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . 0.283 56.3 ttt180 -57.84 128.01 34.93 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.807 2.043 . . . . 0.0 112.16 169.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.36 -59.96 2.55 Favored 'General case' 0 C--O 1.185 -2.335 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.256 1.5 m -106.62 -179.37 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 CA-C-O 117.689 -1.148 . . . . 0.0 114.087 -173.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -142.42 -176.54 4.88 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 126.237 1.815 . . . . 0.0 113.305 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -8.13 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 1 CA-C-O 108.412 -5.566 . . . . 0.0 110.706 174.298 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -85.16 -27.04 26.45 Favored 'General case' 0 N--CA 1.494 1.74 1 CA-C-N 126.855 4.388 . . . . 0.0 109.724 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.1 p -79.32 133.67 36.61 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 121.728 2.058 . . . . 0.0 116.42 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.285 0.5 OUTLIER -64.5 137.93 97.29 Favored Pre-proline 0 N--CA 1.48 1.032 0 O-C-N 118.351 -2.718 . . . . 0.0 115.273 -179.236 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -63.87 -1.76 3.79 Favored 'Trans proline' 0 C--N 1.396 3.069 0 N-CA-C 122.026 3.818 . . . . 0.0 122.026 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE1' HD11 ' A' ' 96' ' ' ILE 0.316 28.1 t80 -122.8 -19.71 6.11 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 162.157 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.07 -38.4 68.0 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 125.072 1.349 . . . . 0.0 109.859 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.8 m -66.87 -19.14 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.586 0 O-C-N 117.07 -3.519 . . . . 0.0 116.409 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.358 62.1 m-85 -80.28 -6.31 57.69 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 127.301 2.876 . . . . 0.0 113.193 174.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.406 HD11 ' CE1' ' A' ' 92' ' ' TYR . 10.0 mm -100.41 100.67 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 N-CA-C 104.236 -2.505 . . . . 0.0 104.236 -173.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -77.54 -26.92 51.43 Favored 'General case' 0 N--CA 1.521 3.087 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -173.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -70.6 44.55 0.08 Allowed 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 129.664 3.186 . . . . 0.0 111.653 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -145.23 133.05 21.14 Favored 'General case' 0 C--O 1.218 -0.576 1 C-N-CA 135.505 5.522 . . . . 0.0 107.473 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.95 128.46 37.4 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -45.09 138.63 3.67 Favored 'General case' 0 C--O 1.287 3.07 0 N-CA-C 119.015 2.968 . . . . 0.0 119.015 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.4 mtm -83.54 146.53 28.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 116.71 -3.744 . . . . 0.0 111.799 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.568 1.653 0 CA-C-O 124.043 1.878 . . . . 0.0 114.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.253 4.4 mmt . . . . . 1 N--CA 1.543 4.203 0 CA-C-O 122.461 1.124 . . . . 0.0 112.426 . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -103.65 153.41 20.66 Favored 'General case' 0 CA--C 1.581 2.167 0 C-N-CA 127.204 2.202 . . . . 0.0 110.22 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.7 m -61.48 140.13 58.12 Favored 'General case' 0 N--CA 1.512 2.627 0 C-N-CA 126.912 2.085 . . . . 0.0 111.698 167.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.39 163.76 38.86 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -172.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -116.94 142.14 47.32 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 126.985 2.114 . . . . 0.0 109.44 168.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.17 -156.73 7.41 Favored Glycine 0 C--O 1.267 2.2 1 CA-C-O 128.199 4.221 . . . . 0.0 111.583 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.342 1.2 p -59.0 153.96 16.5 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.001 3.32 . . . . 0.0 117.344 172.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.38 -25.66 68.39 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 126.502 3.049 . . . . 0.0 115.411 172.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -80.02 -35.1 37.75 Favored 'General case' 0 CA--C 1.476 -1.901 0 O-C-N 118.863 -2.398 . . . . 0.0 108.084 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -61.62 -38.84 89.11 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 117.679 -3.138 . . . . 0.0 112.897 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.307 3.1 t80 -60.21 -41.76 93.72 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-N 123.704 2.956 . . . . 0.0 113.263 172.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 -11.99 58.14 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-O 124.723 2.201 . . . . 0.0 110.523 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -79.59 -42.13 25.64 Favored 'General case' 0 C--O 1.274 2.351 0 CA-C-O 126.014 2.816 . . . . 0.0 114.626 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.87 -56.06 27.1 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 119.251 -2.156 . . . . 0.0 108.367 167.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -67.04 -19.26 65.65 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 117.517 -3.24 . . . . 0.0 116.373 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.25 . . -78.03 -48.45 16.11 Favored 'General case' 0 CA--C 1.566 1.576 0 O-C-N 127.338 2.899 . . . . 0.0 115.977 166.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.336 3.0 p -64.39 -28.65 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 117.46 2.393 . . . . 0.0 117.46 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.5 -44.84 81.48 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.595 -1.316 . . . . 0.0 110.509 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.2 -32.67 74.47 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -42.6 78.7 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 125.863 1.665 . . . . 0.0 113.17 164.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.62 -41.25 85.47 Favored 'General case' 0 N--CA 1.531 3.579 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.27 3.9 m-80 -67.58 -35.23 78.61 Favored 'General case' 0 N--CA 1.426 -1.651 1 C-N-CA 132.504 4.321 . . . . 0.0 112.173 176.112 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.53 -46.8 24.99 Favored 'General case' 0 CA--C 1.575 1.928 1 O-C-N 113.91 -5.494 . . . . 0.0 103.536 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.316 1.9 m -45.22 -41.42 8.33 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-O 122.829 1.3 . . . . 0.0 113.694 164.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.0 -41.59 25.53 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 117.341 -3.35 . . . . 0.0 107.107 -174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.4 -33.05 74.01 Favored 'General case' 0 CA--C 1.58 2.097 0 O-C-N 119.713 -1.867 . . . . 0.0 111.522 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -62.76 -42.38 99.66 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 124.348 1.059 . . . . 0.0 110.457 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -83.69 -1.71 54.64 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.111 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -148.96 -52.44 0.16 Allowed 'General case' 1 N--CA 1.571 5.6 0 CA-C-N 120.994 1.725 . . . . 0.0 114.756 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -93.54 -23.72 18.23 Favored 'General case' 0 N--CA 1.405 -2.684 0 CA-C-N 121.337 1.88 . . . . 0.0 110.88 -162.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.41 152.86 42.87 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 162.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -90.89 121.32 68.2 Favored Pre-proline 0 C--O 1.253 1.259 0 C-N-CA 130.959 3.704 . . . . 0.0 109.587 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.31 135.95 15.5 Favored 'Trans proline' 0 C--O 1.265 1.829 0 O-C-N 125.115 2.113 . . . . 0.0 109.172 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.7 170.41 46.34 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 125.456 1.503 . . . . 0.0 113.851 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -79.42 164.31 24.01 Favored 'Trans proline' 0 C--O 1.261 1.632 0 C-N-CA 124.133 3.222 . . . . 0.0 107.703 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.63 158.3 46.84 Favored Glycine 1 N--CA 1.525 4.622 0 O-C-N 116.609 -3.807 . . . . 0.0 118.759 164.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 131.93 36.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 117.017 -3.637 . . . . 0.0 110.449 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.05 113.78 6.02 Favored Glycine 0 N--CA 1.488 2.121 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.91 -173.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -55.02 135.83 70.4 Favored 'Trans proline' 0 CA--C 1.48 -2.188 0 CA-C-N 122.87 3.335 . . . . 0.0 116.713 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.56 -12.27 61.0 Favored 'General case' 0 N--CA 1.508 2.436 1 O-C-N 114.556 -5.09 . . . . 0.0 111.004 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . 0.333 11.7 m120 -73.71 -20.91 60.4 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.909 173.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.86 146.5 28.06 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 114.483 -2.675 . . . . 0.0 112.604 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 p -163.49 159.08 21.67 Favored 'General case' 0 CA--C 1.593 2.628 0 CA-C-O 124.575 2.131 . . . . 0.0 111.963 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -101.66 134.72 44.36 Favored 'General case' 0 N--CA 1.519 2.984 0 C-N-CA 128.227 2.611 . . . . 0.0 107.983 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -109.6 -5.04 15.82 Favored 'General case' 0 C--N 1.384 2.081 0 O-C-N 117.789 -3.069 . . . . 0.0 113.177 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.266 88.0 mtm180 -71.28 134.65 46.95 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 167.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.99 167.76 21.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 115.312 -2.28 . . . . 0.0 116.316 -158.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.06 145.85 35.02 Favored 'General case' 0 C--N 1.272 -2.8 0 O-C-N 127.118 2.761 . . . . 0.0 115.437 -171.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 m -121.87 16.71 10.98 Favored 'General case' 0 N--CA 1.525 3.3 0 CA-C-N 111.528 -2.578 . . . . 0.0 112.996 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.0 128.11 90.97 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 117.001 -1.879 . . . . 0.0 110.726 165.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -52.88 148.7 28.32 Favored 'Trans proline' 0 C--N 1.391 2.792 0 C-N-CA 124.172 3.248 . . . . 0.0 114.516 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.28 163.7 14.77 Favored Glycine 0 N--CA 1.411 -2.995 0 C-N-CA 127.908 2.67 . . . . 0.0 113.698 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -142.73 -14.19 0.74 Allowed 'General case' 0 CA--C 1.571 1.775 0 C-N-CA 128.786 2.835 . . . . 0.0 115.732 -165.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -166.61 -177.01 3.76 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 124.618 2.151 . . . . 0.0 110.121 -167.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -78.09 -29.21 48.95 Favored 'General case' 0 CA--C 1.565 1.548 0 O-C-N 117.568 -3.207 . . . . 0.0 112.426 -173.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.84 -58.69 7.28 Favored 'General case' 0 CA--C 1.592 2.584 1 O-C-N 114.696 -5.002 . . . . 0.0 110.279 163.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -56.36 -45.16 80.59 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 125.232 1.582 . . . . 0.0 112.945 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.458 17.3 m-85 -66.76 -27.13 67.35 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -174.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -87.13 -36.01 18.32 Favored 'General case' 0 C--O 1.273 2.337 1 O-C-N 129.534 4.271 . . . . 0.0 108.058 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -54.24 -31.73 54.17 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 113.278 -3.249 . . . . 0.0 118.276 153.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.5 mm -72.15 -36.05 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 CA-C-N 122.967 2.621 . . . . 0.0 107.081 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.19 -39.61 78.55 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 119.116 0.871 . . . . 0.0 113.299 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.308 6.0 t80 -50.72 -25.99 4.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.032 2.533 . . . . 0.0 116.601 156.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.54 -20.25 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 120.101 -1.624 . . . . 0.0 111.239 -172.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.01 -35.88 81.7 Favored 'General case' 0 CA--C 1.601 2.908 0 O-C-N 118.507 -2.621 . . . . 0.0 112.729 153.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.286 15.9 t80 -67.34 -49.09 65.5 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 167.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.11 -25.34 66.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.754 1.909 . . . . 0.0 115.108 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.64 -53.83 50.89 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.491 -2.006 . . . . 0.0 114.915 163.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 -27.51 62.74 Favored 'General case' 0 CA--C 1.62 3.643 0 CA-C-N 124.268 3.213 . . . . 0.0 115.472 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 t -75.15 -32.98 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 171.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.561 0.2 OUTLIER -59.27 -23.47 62.41 Favored 'General case' 0 N--CA 1.439 -0.978 1 C-N-CA 133.838 4.855 . . . . 0.0 112.581 163.494 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 t -78.32 -37.28 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-O 114.495 -2.669 . . . . 0.0 114.131 166.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.25 -39.27 95.93 Favored Glycine 0 CA--C 1.572 3.644 0 CA-C-O 116.702 -2.166 . . . . 0.0 107.704 163.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 -33.73 58.26 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 120.51 2.155 . . . . 0.0 111.215 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.67 -36.26 62.79 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-O 115.168 -2.349 . . . . 0.0 108.658 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.7 mt -67.98 -38.64 80.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-N 123.514 2.87 . . . . 0.0 108.972 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD11 ' NE ' ' A' ' 81' ' ' ARG . 52.6 tp -59.79 -37.21 78.45 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.12 -37.02 72.47 Favored Glycine 0 CA--C 1.556 2.613 0 C-N-CA 125.76 1.648 . . . . 0.0 114.499 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.52 ' CD2' ' HD3' ' A' ' 83' ' ' ARG . 22.9 m-85 -52.34 -34.62 48.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 125.081 2.372 . . . . 0.0 117.272 159.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.476 0.2 OUTLIER -62.81 -53.48 53.63 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 118.41 2.744 . . . . 0.0 118.41 166.773 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' NE ' HD11 ' A' ' 77' ' ' LEU . 84.1 mtt180 -110.95 -73.28 0.69 Allowed 'General case' 0 N--CA 1.528 3.464 0 CA-C-N 114.229 -1.351 . . . . 0.0 112.251 -170.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -70.09 -14.09 62.5 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.52 ' HD3' ' CD2' ' A' ' 79' ' ' TYR . 29.6 ttt-85 -86.48 -4.68 59.21 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.696 -1.878 . . . . 0.0 108.83 169.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 79' ' ' TYR . 81.9 mttt -125.23 -42.76 1.98 Allowed 'General case' 0 C--O 1.267 1.995 1 O-C-N 115.246 -4.659 . . . . 0.0 115.374 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.4 m -159.49 166.28 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.956 1 CA-C-O 128.765 4.126 . . . . 0.0 108.715 -160.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.35 3.4 p30 -122.16 134.69 54.73 Favored 'General case' 0 C--O 1.275 2.432 1 O-C-N 115.435 -4.541 . . . . 0.0 117.892 176.83 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -58.51 134.15 56.44 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 131.67 3.988 . . . . 0.0 117.415 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -130.13 4.14 4.82 Favored 'General case' 0 N--CA 1.407 -2.624 1 O-C-N 116.148 -4.095 . . . . 0.0 114.614 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.9 p -61.28 145.52 51.05 Favored 'General case' 0 C--N 1.276 -2.615 0 N-CA-C 119.609 3.188 . . . . 0.0 119.609 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.96 96.99 0.93 Allowed Pre-proline 0 N--CA 1.518 2.94 0 CA-C-O 114.902 -2.475 . . . . 0.0 109.093 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.57 -9.14 17.11 Favored 'Trans proline' 0 C--O 1.204 -1.218 1 C-N-CA 127.457 5.438 . . . . 0.0 116.2 -163.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.456 85.3 m-85 -75.21 -24.09 57.72 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 -152.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -56.78 -16.1 5.9 Favored 'General case' 0 C--O 1.18 -2.581 0 C-N-CA 130.663 3.585 . . . . 0.0 110.442 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.68 -31.33 17.29 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 C-N-CA 129.073 2.949 . . . . 0.0 112.72 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -97.24 -37.77 9.95 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.05 108.02 24.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 C-N-CA 125.588 1.555 . . . . 0.0 112.486 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -49.56 -41.84 42.66 Favored 'General case' 0 C--O 1.268 2.052 0 O-C-N 124.805 1.315 . . . . 0.0 110.92 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -87.6 0.63 55.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 116.909 -3.62 . . . . 0.0 111.914 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -81.78 157.94 24.3 Favored 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 121.475 1.943 . . . . 0.0 106.734 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . 0.258 9.3 p -95.19 143.82 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.062 0 O-C-N 119.08 -2.263 . . . . 0.0 111.226 176.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -63.77 131.27 47.33 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 118.547 -2.595 . . . . 0.0 110.56 167.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 61.3 mtm -127.46 168.27 15.12 Favored 'General case' 0 C--O 1.181 -2.541 0 CA-C-O 125.305 2.478 . . . . 0.0 111.12 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.582 2.19 1 CA-C-N 108.091 -4.14 . . . . 0.0 118.901 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.282 58.3 mp0 -76.74 176.75 8.16 Favored 'General case' 0 N--CA 1.52 3.048 0 O-C-N 120.442 -1.411 . . . . 0.0 112.35 169.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.42 116.09 31.51 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 127.423 2.952 . . . . 0.0 106.418 175.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -75.13 148.63 39.51 Favored 'General case' 0 N--CA 1.538 3.97 0 C-N-CA 123.44 0.696 . . . . 0.0 111.563 -170.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -56.54 155.66 7.06 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 127.879 2.472 . . . . 0.0 116.42 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.22 -164.44 24.79 Favored Glycine 0 N--CA 1.472 1.077 0 O-C-N 119.739 -1.85 . . . . 0.0 116.043 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -75.99 176.35 8.0 Favored 'General case' 0 N--CA 1.534 3.736 0 O-C-N 118.675 -2.662 . . . . 0.0 116.982 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -66.28 -38.39 87.67 Favored 'General case' 0 C--O 1.297 3.555 0 CA-C-O 123.845 1.783 . . . . 0.0 107.731 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.545 0.0 OUTLIER -62.05 -45.16 94.77 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 119.961 -1.712 . . . . 0.0 114.136 167.258 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.66 -50.64 72.68 Favored 'General case' 0 N--CA 1.533 3.702 0 O-C-N 117.173 -3.454 . . . . 0.0 109.95 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.402 4.1 t80 -54.65 -44.48 73.28 Favored 'General case' 0 CA--C 1.463 -2.401 0 CA-C-O 114.727 -2.558 . . . . 0.0 117.222 172.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.81 -23.35 66.17 Favored 'General case' 0 CA--C 1.606 3.13 0 CA-C-N 120.34 1.427 . . . . 0.0 108.829 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -80.15 -31.88 38.93 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.395 -1.441 . . . . 0.0 111.736 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -67.0 -37.75 84.76 Favored 'General case' 0 C--N 1.407 3.066 0 O-C-N 117.819 -3.05 . . . . 0.0 114.02 165.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -57.25 -42.29 81.23 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.97 89.03 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.657 1.983 . . . . 0.0 109.473 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.85 -58.12 5.96 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.663 0 CA-C-N 124.688 3.403 . . . . 0.0 111.359 161.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.95 -25.16 67.76 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 119.044 -2.285 . . . . 0.0 111.356 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.72 -43.16 66.37 Favored 'General case' 0 N--CA 1.521 3.097 0 O-C-N 118.985 -2.322 . . . . 0.0 114.041 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.03 -63.81 0.94 Allowed 'General case' 0 C--O 1.197 -1.708 0 O-C-N 126.729 2.518 . . . . 0.0 109.791 163.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tt -46.09 -39.78 9.88 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 118.909 -2.37 . . . . 0.0 115.281 175.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.0 -24.52 61.58 Favored 'General case' 0 CA--C 1.601 2.942 0 C-N-CA 128.518 2.727 . . . . 0.0 109.752 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.97 -52.97 9.8 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 120.519 -1.363 . . . . 0.0 108.363 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -43.3 29.52 Favored 'General case' 0 C--O 1.186 -2.245 0 C-N-CA 127.376 2.27 . . . . 0.0 114.16 163.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.67 -61.64 2.18 Favored 'General case' 0 C--O 1.18 -2.583 0 O-C-N 117.99 -2.944 . . . . 0.0 114.388 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.25 -34.85 77.32 Favored 'General case' 0 CA--C 1.501 -0.912 0 O-C-N 121.562 -0.711 . . . . 0.0 111.744 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -55.58 -31.85 62.55 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 127.05 2.14 . . . . 0.0 114.774 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.258 60.7 m-20 -88.85 -38.57 14.49 Favored 'General case' 0 CA--C 1.579 2.062 0 O-C-N 126.257 2.223 . . . . 0.0 113.804 176.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.61 -24.34 67.53 Favored 'General case' 0 CA--C 1.576 1.978 0 O-C-N 126.63 2.456 . . . . 0.0 115.852 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.23 -21.41 61.78 Favored 'General case' 0 N--CA 1.52 3.027 0 O-C-N 117.837 -3.04 . . . . 0.0 116.15 160.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.5 m -79.24 148.59 32.15 Favored 'General case' 0 N--CA 1.395 -3.213 0 O-C-N 116.968 -3.583 . . . . 0.0 110.313 -168.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -68.24 146.63 98.09 Favored Pre-proline 1 N--CA 1.552 4.639 0 C-N-CA 115.295 -2.562 . . . . 0.0 116.068 168.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.6 152.87 80.49 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 125.116 3.877 . . . . 0.0 110.614 169.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.42 -174.59 48.6 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 125.465 1.507 . . . . 0.0 115.827 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -67.8 164.59 30.89 Favored 'Trans proline' 0 N--CA 1.517 2.882 0 C-N-CA 122.817 2.345 . . . . 0.0 113.931 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 170.76 28.38 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.406 -1.27 . . . . 0.0 114.633 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.252 52.2 mt -56.19 173.37 0.17 Allowed 'General case' 0 C--N 1.381 1.968 0 CA-C-N 118.223 1.012 . . . . 0.0 113.378 159.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.66 175.37 18.69 Favored Glycine 0 C--O 1.195 -2.331 0 O-C-N 124.465 1.103 . . . . 0.0 115.467 165.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.22 -17.84 41.42 Favored 'Trans proline' 0 N--CA 1.532 3.751 0 C-N-CA 123.654 2.903 . . . . 0.0 113.573 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -79.26 -16.33 56.62 Favored 'General case' 0 N--CA 1.521 3.108 0 CA-C-N 124.778 3.444 . . . . 0.0 110.558 -174.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -84.04 -7.66 59.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -91.8 168.69 11.27 Favored 'General case' 0 CA--C 1.588 2.427 0 O-C-N 120.62 -1.3 . . . . 0.0 111.591 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.35 131.31 53.02 Favored 'General case' 0 N--CA 1.519 2.996 0 O-C-N 118.929 -2.357 . . . . 0.0 113.265 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -91.81 145.94 24.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 116.491 -3.881 . . . . 0.0 110.345 -169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.48 129.9 42.14 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 129.338 3.055 . . . . 0.0 104.936 -173.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -104.45 125.73 50.91 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 115.05 -2.405 . . . . 0.0 114.925 169.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 -141.02 126.61 18.91 Favored 'General case' 0 C--O 1.203 -1.379 0 O-C-N 128.589 3.681 . . . . 0.0 112.39 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.76 149.41 48.0 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 128.505 3.628 . . . . 0.0 113.249 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.8 t -130.98 58.0 1.73 Allowed 'General case' 0 C--N 1.266 -3.024 1 C-N-CA 132.042 4.137 . . . . 0.0 111.016 -170.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.56 143.46 98.18 Favored Pre-proline 0 C--O 1.273 2.321 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.51 103.1 1.24 Allowed 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 125.235 3.957 . . . . 0.0 108.712 -158.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.85 150.73 5.28 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -139.17 71.2 1.38 Allowed 'General case' 0 C--O 1.177 -2.713 0 CA-C-O 123.666 1.698 . . . . 0.0 113.765 -165.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -133.36 121.6 22.58 Favored 'General case' 0 CA--C 1.614 3.427 0 CA-C-N 110.146 -3.206 . . . . 0.0 114.333 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . 0.35 17.0 p30 -62.81 -1.31 0.84 Allowed 'General case' 0 CA--C 1.6 2.872 1 O-C-N 130.736 5.022 . . . . 0.0 117.968 -176.04 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -62.68 -4.47 2.05 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-O 116.632 -1.652 . . . . 0.0 111.677 160.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.5 p -52.29 -30.03 26.06 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.428 2.381 . . . . 0.0 117.428 161.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.29 60.5 m-85 -67.86 -31.55 71.45 Favored 'General case' 0 N--CA 1.395 -3.211 1 O-C-N 116.101 -4.124 . . . . 0.0 117.046 176.549 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.345 22.0 ttp -67.74 -50.99 54.37 Favored 'General case' 0 C--N 1.319 -0.727 1 C-N-CA 134.887 5.275 . . . . 0.0 108.569 170.754 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.59 71.0 m-85 -46.08 -41.2 11.91 Favored 'General case' 0 C--O 1.167 -3.261 0 CA-C-O 123.663 1.697 . . . . 0.0 115.452 160.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.254 33.2 mt -73.39 -20.17 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.307 0 CA-C-O 116.347 -1.787 . . . . 0.0 110.992 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.24 -54.73 7.11 Favored 'General case' 0 C--O 1.201 -1.47 0 CA-C-N 120.982 1.719 . . . . 0.0 107.394 170.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.451 53.6 m-85 -54.8 -21.83 12.44 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 128.266 3.479 . . . . 0.0 117.552 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.424 0.4 OUTLIER -73.93 -41.0 53.27 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 128.367 2.667 . . . . 0.0 110.434 174.019 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 tpp -66.69 -33.16 75.03 Favored 'General case' 0 CA--C 1.477 -1.851 0 O-C-N 120.831 -1.168 . . . . 0.0 113.928 172.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.419 32.9 m-85 -60.59 -52.24 66.01 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 161.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tp -42.14 -45.81 4.15 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 119.678 3.214 . . . . 0.0 119.678 163.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.9 -61.26 2.05 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 160.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.7 33.22 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 121.195 1.816 . . . . 0.0 114.818 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.05 -29.85 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.802 0 C-N-CA 123.947 0.899 . . . . 0.0 111.768 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -59.8 -23.84 63.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 115.573 -2.156 . . . . 0.0 116.272 157.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.339 2.9 t -68.97 -45.03 80.94 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 CA-C-N 123.129 2.695 . . . . 0.0 111.793 170.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.94 66.25 Favored Glycine 0 N--CA 1.486 2.0 0 CA-C-N 112.039 -2.346 . . . . 0.0 110.963 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -83.71 -6.94 59.56 Favored 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.296 59.1 mt -63.03 -50.99 68.51 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 124.315 2.007 . . . . 0.0 113.691 151.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -61.43 -54.74 30.96 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.013 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.11 -19.86 65.98 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.71 -25.2 68.78 Favored Glycine 0 CA--C 1.565 3.171 0 CA-C-O 116.587 -2.23 . . . . 0.0 114.498 163.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.296 21.4 t80 -79.16 -42.64 25.66 Favored 'General case' 0 N--CA 1.394 -3.246 1 C-N-CA 131.712 4.005 . . . . 0.0 119.105 157.961 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.355 1.8 p -95.23 -68.2 0.81 Allowed 'General case' 0 C--O 1.263 1.785 0 N-CA-C 117.97 2.581 . . . . 0.0 117.97 -171.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -100.04 20.09 15.1 Favored 'General case' 0 CA--C 1.598 2.823 0 CA-C-O 115.295 -2.288 . . . . 0.0 115.18 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.9 p -69.03 -4.17 15.95 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 122.395 2.361 . . . . 0.0 116.442 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -47.17 140.44 5.21 Favored 'General case' 0 C--O 1.163 -3.482 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 167.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -81.54 -32.35 32.32 Favored 'General case' 0 C--O 1.276 2.476 0 C-N-CA 128.214 2.606 . . . . 0.0 115.538 149.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.348 0.3 OUTLIER -68.41 134.93 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.909 0 CA-C-N 122.383 2.356 . . . . 0.0 113.566 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.34 175.62 10.43 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmmm -71.09 77.26 0.68 Allowed 'General case' 0 CA--C 1.575 1.913 0 O-C-N 125.267 1.604 . . . . 0.0 113.99 176.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.07 -28.26 67.22 Favored 'General case' 0 CA--C 1.466 -2.285 0 CA-C-O 114.066 -2.873 . . . . 0.0 118.299 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -44.57 -37.6 3.68 Favored 'General case' 0 CA--C 1.583 2.22 1 O-C-N 129.549 4.281 . . . . 0.0 117.621 170.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.56 152.75 41.53 Favored Pre-proline 0 C--O 1.283 2.835 0 C-N-CA 130.531 3.532 . . . . 0.0 114.678 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . 0.251 93.8 Cg_endo -83.72 43.47 1.41 Allowed 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 122.882 2.388 . . . . 0.0 114.877 -171.497 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.03 -30.45 64.23 Favored 'General case' 0 C--O 1.276 2.47 0 N-CA-C 120.79 3.626 . . . . 0.0 120.79 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.58 ' HA ' HG12 ' A' ' 96' ' ' ILE . 43.9 p-80 -58.08 -26.69 62.87 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-O 115.255 -2.307 . . . . 0.0 114.525 168.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.95 -33.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 2 CA-C-N 128.648 5.204 . . . . 0.0 111.322 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.421 0.2 OUTLIER -63.43 -35.14 79.45 Favored 'General case' 0 CA--C 1.611 3.297 1 N-CA-C 124.917 5.155 . . . . 0.0 124.917 164.753 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.58 HG12 ' HA ' ' A' ' 93' ' ' HIS . 26.5 pt -80.96 149.98 4.82 Favored 'Isoleucine or valine' 0 C--N 1.41 3.219 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.605 -171.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -121.06 166.43 13.9 Favored 'General case' 0 C--O 1.275 2.395 0 C-N-CA 126.161 1.784 . . . . 0.0 111.636 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.53 -31.88 42.15 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.55 1.14 . . . . 0.0 109.707 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -148.36 174.26 12.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 117.186 -3.446 . . . . 0.0 112.905 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . 0.425 1.9 m -66.76 158.59 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.875 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 153.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -118.26 153.8 33.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 125.882 1.989 . . . . 0.0 112.271 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.4 tpp -75.52 156.47 35.09 Favored 'General case' 0 C--N 1.263 -3.174 0 C-N-CA 127.926 2.49 . . . . 0.0 117.236 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.338 9.1 tt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 124.75 1.281 . . . . 0.0 110.024 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 C--O 1.197 -1.71 0 CA-C-O 116.408 -1.758 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -98.33 146.03 26.09 Favored 'General case' 0 N--CA 1.52 3.07 0 CA-C-N 120.785 1.63 . . . . 0.0 114.543 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 t -133.67 145.77 50.24 Favored 'General case' 0 CA--C 1.463 -2.376 0 CA-C-O 127.846 3.688 . . . . 0.0 116.441 158.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.355 1.5 p -141.65 163.93 31.59 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 127.972 2.509 . . . . 0.0 109.086 176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.312 63.1 t30 -64.45 141.43 58.77 Favored 'General case' 0 C--O 1.267 2.026 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.06 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.67 -160.92 23.59 Favored Glycine 0 C--O 1.198 -2.097 0 CA-C-O 113.488 -3.951 . . . . 0.0 109.68 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.09 170.66 14.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 126.679 2.047 . . . . 0.0 114.243 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -62.74 -27.02 68.99 Favored 'General case' 0 CA--C 1.612 3.337 0 C-N-CA 117.6 -1.64 . . . . 0.0 110.715 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.319 3.8 p -71.41 -33.76 69.75 Favored 'General case' 1 N--CA 1.543 4.217 0 O-C-N 119.641 -1.912 . . . . 0.0 112.781 177.617 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -40.46 97.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 125.838 1.961 . . . . 0.0 113.747 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.428 34.9 m-85 -60.01 -30.8 69.39 Favored 'General case' 1 N--CA 1.539 4.015 0 O-C-N 127.954 3.284 . . . . 0.0 116.924 166.688 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -88.81 -11.71 44.05 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 173.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.5 m -82.95 -36.82 24.85 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 115.213 -2.327 . . . . 0.0 106.643 168.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.87 -34.29 74.39 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 121.125 1.784 . . . . 0.0 110.055 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.14 -40.88 97.11 Favored 'General case' 0 CA--C 1.464 -2.34 0 O-C-N 124.998 1.436 . . . . 0.0 110.517 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -28.79 68.42 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 116.601 2.074 . . . . 0.0 116.601 170.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.35 -43.36 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 125.127 1.371 . . . . 0.0 112.832 171.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.23 -30.2 70.3 Favored 'General case' 0 N--CA 1.398 -3.039 0 O-C-N 118.738 -2.476 . . . . 0.0 114.261 170.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -64.21 -44.34 92.23 Favored 'General case' 0 CA--C 1.474 -1.972 0 O-C-N 119.162 -2.211 . . . . 0.0 115.661 169.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 -46.76 72.3 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.126 -2.306 . . . . 0.0 108.005 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.3 -47.1 74.72 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 120.988 1.722 . . . . 0.0 115.324 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.263 77.2 m-20 -65.59 -23.63 66.88 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 121.814 2.097 . . . . 0.0 113.073 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.59 46.94 Favored 'General case' 0 N--CA 1.538 3.93 0 C-N-CA 127.676 2.391 . . . . 0.0 116.342 166.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -57.79 -30.9 66.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 114.549 -2.644 . . . . 0.0 113.866 163.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.13 -35.93 61.66 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 128.091 3.369 . . . . 0.0 112.35 166.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.18 -25.8 62.68 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 117.478 -3.264 . . . . 0.0 113.536 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -81.45 -43.15 19.3 Favored 'General case' 0 N--CA 1.427 -1.603 0 O-C-N 118.24 -2.788 . . . . 0.0 107.178 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -55.28 -43.47 74.78 Favored 'General case' 0 CA--C 1.465 -2.314 0 N-CA-C 119.24 3.052 . . . . 0.0 119.24 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.64 -25.66 54.01 Favored 'General case' 0 C--N 1.275 -2.64 0 C-N-CA 129.21 3.004 . . . . 0.0 117.781 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -105.67 -23.18 12.8 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 117.655 -3.153 . . . . 0.0 112.286 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 t -57.82 148.17 26.06 Favored 'General case' 0 C--O 1.26 1.623 0 C-N-CA 124.252 1.021 . . . . 0.0 110.105 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.97 108.18 11.75 Favored Pre-proline 0 N--CA 1.518 2.951 1 C-N-CA 135.023 5.329 . . . . 0.0 104.804 -167.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.0 -175.88 0.14 Allowed 'Trans proline' 0 CA--C 1.572 2.397 0 O-C-N 118.233 -1.509 . . . . 0.0 112.788 167.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.58 160.86 31.3 Favored Glycine 0 CA--C 1.475 -2.462 0 C-N-CA 118.149 -1.977 . . . . 0.0 109.239 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -53.63 150.28 28.84 Favored 'Trans proline' 0 N--CA 1.428 -2.378 0 C-N-CA 124.524 3.483 . . . . 0.0 111.702 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.47 178.67 16.34 Favored Glycine 0 C--O 1.284 3.231 0 O-C-N 120.342 -1.474 . . . . 0.0 116.267 161.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 tp -79.53 -47.17 16.01 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.228 2.514 . . . . 0.0 115.833 -172.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.78 -164.18 10.62 Favored Glycine 0 CA--C 1.573 3.712 0 CA-C-N 125.213 3.642 . . . . 0.0 121.125 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.71 166.81 13.36 Favored 'Trans proline' 0 CA--C 1.57 2.29 0 C-N-CA 121.516 1.478 . . . . 0.0 114.538 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.354 73.4 m-20 -71.27 -5.39 31.85 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 129.003 2.921 . . . . 0.0 115.961 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -86.42 -17.69 33.68 Favored 'General case' 1 N--CA 1.358 -5.032 0 O-C-N 125.659 1.849 . . . . 0.0 110.965 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.7 155.8 1.56 Allowed 'General case' 0 CA--C 1.59 2.493 0 CA-C-O 115.422 -2.228 . . . . 0.0 109.959 163.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.389 0.1 OUTLIER -132.84 149.4 52.27 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 120.159 3.392 . . . . 0.0 120.159 178.379 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.342 2.4 pt-20 -150.65 68.37 0.96 Allowed 'General case' 0 N--CA 1.518 2.956 0 O-C-N 118.608 -2.558 . . . . 0.0 107.345 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.01 165.11 23.8 Favored 'General case' 0 C--O 1.263 1.771 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.259 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.51 177.53 8.89 Favored 'General case' 0 CA--C 1.588 2.415 0 O-C-N 116.789 -3.694 . . . . 0.0 108.95 165.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -57.47 160.25 4.28 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 127.921 3.263 . . . . 0.0 115.688 167.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.0 160.1 0.78 Allowed 'General case' 0 N--CA 1.52 3.05 0 O-C-N 125.411 1.694 . . . . 0.0 114.815 -171.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.97 91.62 2.53 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.022 1.451 . . . . 0.0 110.593 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.9 127.51 74.55 Favored Pre-proline 0 CA--C 1.58 2.111 0 C-N-CA 125.431 1.492 . . . . 0.0 109.414 161.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.19 122.08 11.17 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 123.733 2.956 . . . . 0.0 113.787 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.85 129.92 1.3 Allowed Glycine 0 C--O 1.247 0.934 0 O-C-N 119.028 -2.295 . . . . 0.0 109.437 -166.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -161.02 100.28 1.24 Allowed 'General case' 0 N--CA 1.388 -3.545 0 CA-C-N 111.291 -2.454 . . . . 0.0 107.987 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -153.5 117.53 4.8 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.119 -1.613 . . . . 0.0 113.836 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -56.94 -3.86 0.14 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 129.891 3.276 . . . . 0.0 115.222 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -73.39 -9.26 58.51 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 117.165 -3.459 . . . . 0.0 111.511 166.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -52.32 -23.12 5.31 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 127.041 2.136 . . . . 0.0 110.372 163.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -80.18 -21.65 42.77 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 119.843 3.275 . . . . 0.0 119.843 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.1 ttm -74.69 -30.24 61.49 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 127.012 2.125 . . . . 0.0 109.876 162.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 36.1 t80 -57.96 -46.58 84.89 Favored 'General case' 0 N--CA 1.419 -2.004 0 C-N-CA 115.74 -2.384 . . . . 0.0 114.367 157.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.386 33.9 mm -51.01 -37.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 171.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.25 -42.54 36.81 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 119.486 -2.009 . . . . 0.0 113.753 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -60.66 -27.88 68.17 Favored 'General case' 1 C--O 1.323 4.959 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 170.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -13.57 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.0 mtm -64.89 -37.28 87.11 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-O 124.243 1.973 . . . . 0.0 108.553 152.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.321 42.3 t80 -70.2 -42.7 72.0 Favored 'General case' 0 C--O 1.271 2.191 0 C-N-CA 116.52 -2.072 . . . . 0.0 115.539 171.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.62 -27.3 66.78 Favored 'General case' 0 C--O 1.278 2.579 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.653 2.6 t80 -43.1 -60.51 1.62 Allowed 'General case' 0 CA--C 1.485 -1.552 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 159.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.6 -25.84 63.23 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.208 -1.557 . . . . 0.0 111.092 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.18 -39.13 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 C-N-CA 129.292 3.037 . . . . 0.0 105.908 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.295 12.5 m -64.36 -37.05 86.16 Favored 'General case' 0 C--O 1.172 -3.024 1 CA-C-O 111.587 -4.054 . . . . 0.0 112.54 168.56 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.251 39.6 t -52.04 -52.48 23.39 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-N 122.422 2.374 . . . . 0.0 113.236 168.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.85 -21.24 73.1 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-O 114.462 -3.41 . . . . 0.0 113.429 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 m -72.57 -40.2 66.8 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 129.106 2.963 . . . . 0.0 107.542 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.277 47.9 tp -65.59 -33.54 76.14 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 124.453 2.073 . . . . 0.0 116.24 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.37 -48.02 82.21 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 118.646 -2.534 . . . . 0.0 106.91 168.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.37 -24.1 67.15 Favored 'General case' 0 N--CA 1.524 3.228 0 O-C-N 116.961 -3.587 . . . . 0.0 109.389 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.22 -43.52 38.78 Favored Glycine 0 N--CA 1.402 -3.597 0 C-N-CA 127.826 2.632 . . . . 0.0 108.937 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -50.16 -41.64 49.54 Favored 'General case' 0 C--O 1.26 1.618 1 CA-C-N 124.576 4.188 . . . . 0.0 114.348 165.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.314 0.2 OUTLIER -72.53 -28.26 62.75 Favored 'General case' 0 CA--C 1.573 1.856 1 C-N-CA 132.539 4.335 . . . . 0.0 112.096 174.61 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -136.08 -51.66 0.72 Allowed 'General case' 0 C--O 1.162 -3.53 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -164.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.4 m -69.31 -36.43 76.98 Favored 'General case' 0 C--O 1.272 2.268 0 CA-C-O 115.398 -2.239 . . . . 0.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -54.6 138.61 40.77 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 103.074 -2.935 . . . . 0.0 103.074 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -71.35 -3.46 20.83 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 117.718 -3.114 . . . . 0.0 113.689 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 m -132.21 153.19 37.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 127.658 2.383 . . . . 0.0 113.812 169.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.26 167.77 26.81 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 124.593 1.157 . . . . 0.0 110.119 -172.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -134.89 70.31 1.44 Allowed 'General case' 0 C--N 1.405 3.007 0 C-N-CA 125.689 1.596 . . . . 0.0 109.671 164.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -63.14 -57.29 11.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 127.058 2.143 . . . . 0.0 111.538 -161.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -71.24 138.93 49.84 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.574 1.15 . . . . 0.0 112.275 165.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.555 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 14.6 m-20 -143.68 157.3 58.85 Favored Pre-proline 0 CA--C 1.607 3.142 0 N-CA-C 119.279 3.066 . . . . 0.0 119.279 147.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . 0.25 31.0 Cg_endo -56.65 -29.56 80.17 Favored 'Trans proline' 0 N--CA 1.515 2.79 0 C-N-CA 123.525 2.817 . . . . 0.0 115.614 -173.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 90' ' ' ASP 0.287 22.8 p90 -60.4 -20.31 59.17 Favored 'General case' 0 CA--C 1.462 -2.416 0 C-N-CA 125.915 1.686 . . . . 0.0 115.384 171.096 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -98.35 -49.47 4.67 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 119.648 -1.908 . . . . 0.0 109.615 162.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.86 -36.39 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.35 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.976 -165.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.547 96.1 m-85 -59.65 -13.23 8.85 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 166.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.4 109.97 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.315 0 O-C-N 119.38 -2.075 . . . . 0.0 112.422 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.18 -43.02 99.41 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.831 2.052 . . . . 0.0 115.768 170.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.95 -10.34 3.99 Favored 'General case' 0 N--CA 1.388 -3.563 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -82.14 127.82 33.52 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 126.834 2.054 . . . . 0.0 110.544 -164.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.1 m -97.66 -35.54 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.806 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.37 80.0 p -81.85 164.02 21.9 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -80.94 141.27 34.67 Favored 'General case' 0 C--O 1.265 1.905 0 O-C-N 121.106 -0.996 . . . . 0.0 110.117 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.509 2.478 0 C-N-CA 130.17 3.388 . . . . 0.0 113.345 164.299 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.414 -2.232 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -87.0 139.69 30.32 Favored 'General case' 0 C--N 1.398 2.684 0 C-N-CA 126.536 1.934 . . . . 0.0 108.782 163.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -105.7 143.0 34.47 Favored 'General case' 1 N--CA 1.54 4.042 0 C-N-CA 129.176 2.99 . . . . 0.0 106.839 169.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -150.52 144.97 25.68 Favored 'General case' 0 CA--C 1.584 2.274 0 C-N-CA 127.795 2.438 . . . . 0.0 115.048 171.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.25 166.05 22.57 Favored 'General case' 0 C--O 1.253 1.266 0 O-C-N 118.958 -2.339 . . . . 0.0 110.463 -172.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.05 121.33 11.56 Favored Glycine 0 C--O 1.214 -1.131 0 C-N-CA 127.808 2.623 . . . . 0.0 108.123 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -20.69 66.07 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 115.876 -2.011 . . . . 0.0 112.609 -170.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -65.09 -26.76 68.36 Favored 'General case' 0 CA--C 1.579 2.061 0 C-N-CA 127.515 2.326 . . . . 0.0 111.444 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 p -73.22 -42.95 62.04 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 118.778 -2.451 . . . . 0.0 111.208 169.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.317 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.458 15.1 t80 -47.08 -36.27 7.98 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 122.616 2.462 . . . . 0.0 116.868 165.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -71.97 -28.27 63.32 Favored 'General case' 0 N--CA 1.538 3.95 0 O-C-N 120.699 -1.251 . . . . 0.0 112.576 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 p -82.72 -39.25 22.18 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 119.203 -2.186 . . . . 0.0 109.463 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.64 -25.82 60.71 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.682 -1.261 . . . . 0.0 113.596 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.291 10.6 m-70 -91.25 -35.01 14.74 Favored 'General case' 0 N--CA 1.53 3.568 0 O-C-N 119.586 -1.946 . . . . 0.0 110.579 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.76 -47.9 59.39 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 159.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -33.66 64.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 O-C-N 124.15 0.906 . . . . 0.0 113.2 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.07 -41.97 97.14 Favored 'General case' 0 CA--C 1.575 1.914 0 O-C-N 118.958 -2.339 . . . . 0.0 110.027 172.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -71.17 -29.71 65.54 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.024 -1.047 . . . . 0.0 112.976 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.11 46.66 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.28 -53.13 21.32 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.604 165.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.252 98.0 m-20 -60.76 -21.43 63.01 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 174.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.68 18.22 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.325 0.8 OUTLIER -104.05 -15.61 15.53 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 120.354 3.464 . . . . 0.0 120.354 166.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.94 -25.52 67.65 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 123.724 1.726 . . . . 0.0 111.777 168.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -121.54 32.3 5.95 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 130.427 3.491 . . . . 0.0 114.465 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 p -62.9 -28.52 70.11 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 116.35 -3.968 . . . . 0.0 117.749 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -46.48 -23.3 0.36 Allowed 'General case' 0 C--N 1.367 1.348 0 CA-C-O 114.567 -2.635 . . . . 0.0 113.39 166.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.95 -54.42 5.82 Favored 'General case' 0 C--O 1.262 1.725 0 CA-C-O 113.453 -3.165 . . . . 0.0 110.033 -170.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -135.01 6.38 3.37 Favored 'General case' 0 CA--C 1.593 2.619 0 CA-C-N 120.985 1.72 . . . . 0.0 111.606 -171.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.8 t -121.79 28.51 7.59 Favored 'General case' 0 C--O 1.257 1.451 0 C-N-CA 131.337 3.855 . . . . 0.0 112.233 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -83.51 139.42 41.26 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 117.324 -3.36 . . . . 0.0 114.383 167.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.95 154.02 10.92 Favored 'Trans proline' 0 CA--C 1.576 2.586 0 C-N-CA 123.607 2.872 . . . . 0.0 117.208 171.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.56 165.88 18.13 Favored Glycine 0 CA--C 1.559 2.815 1 O-C-N 129.648 4.343 . . . . 0.0 115.376 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.326 39.4 Cg_exo -64.7 146.89 89.49 Favored 'Trans proline' 0 C--O 1.261 1.629 0 C-N-CA 123.068 2.512 . . . . 0.0 112.373 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.9 -173.35 46.14 Favored Glycine 0 C--N 1.383 3.189 0 CA-C-O 117.461 -1.744 . . . . 0.0 115.227 165.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.64 -15.46 63.53 Favored 'General case' 1 N--CA 1.374 -4.23 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 164.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.59 -179.34 47.32 Favored Glycine 0 CA--C 1.565 3.218 1 CA-C-O 112.197 -4.668 . . . . 0.0 118.425 -171.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.1 154.13 62.44 Favored 'Trans proline' 0 CA--C 1.585 3.069 0 O-C-N 128.352 3.817 . . . . 0.0 118.228 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -63.83 -27.51 69.22 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -59.04 -17.93 30.05 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 113.967 -2.921 . . . . 0.0 114.989 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -151.12 20.48 0.76 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.448 1.931 . . . . 0.0 111.679 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.32 0.3 OUTLIER -138.91 147.08 41.86 Favored 'General case' 0 N--CA 1.484 1.272 1 C-N-CA 131.738 4.015 . . . . 0.0 120.582 -177.761 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -106.13 165.51 11.18 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 167.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.296 2.8 tp10 -81.27 139.34 35.5 Favored 'General case' 0 C--O 1.278 2.601 0 O-C-N 119.404 -2.06 . . . . 0.0 108.675 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.49 160.24 20.58 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 124.87 1.356 . . . . 0.0 113.539 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.272 20.8 ttm180 -65.24 127.3 31.14 Favored 'General case' 0 CA--C 1.473 -1.981 0 CA-C-O 115.251 -2.309 . . . . 0.0 110.171 170.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.88 173.04 5.7 Favored 'General case' 0 CA--C 1.582 2.193 1 CA-C-N 126.38 4.173 . . . . 0.0 109.539 -165.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -78.53 48.69 0.8 Allowed 'General case' 0 N--CA 1.51 2.526 0 C-N-CA 131.465 3.906 . . . . 0.0 115.701 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 mt -82.47 125.31 76.6 Favored Pre-proline 0 C--O 1.208 -1.083 2 CA-C-N 107.958 -4.201 . . . . 0.0 107.0 -173.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -79.78 114.64 3.22 Favored 'Trans proline' 0 N--CA 1.487 1.093 0 CA-C-N 122.86 2.057 . . . . 0.0 110.519 -171.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.06 51.64 0.27 Allowed Glycine 1 N--CA 1.542 5.719 0 CA-C-N 121.697 2.044 . . . . 0.0 109.51 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -116.55 -39.85 3.28 Favored 'General case' 0 C--O 1.303 3.902 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -166.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.33 149.41 48.25 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 126.878 2.071 . . . . 0.0 113.762 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -60.17 -31.27 69.96 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 -159.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.269 25.5 t-20 -65.11 -42.25 94.12 Favored 'General case' 0 C--O 1.175 -2.856 0 CA-C-O 127.055 3.312 . . . . 0.0 114.017 164.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 m -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.299 -1.626 1 O-C-N 115.634 -4.416 . . . . 0.0 109.352 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.272 65.8 t80 -64.71 -34.66 78.83 Favored 'General case' 0 C--O 1.186 -2.275 0 CA-C-N 119.294 0.952 . . . . 0.0 111.621 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 tpp -71.6 -38.83 70.82 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 125.649 2.643 . . . . 0.0 109.084 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.281 54.4 m-85 -54.75 -39.44 68.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 118.401 -2.687 . . . . 0.0 110.426 160.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -70.9 -27.61 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 2 O-C-N 114.601 -5.062 . . . . 0.0 114.351 173.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.03 -37.85 88.96 Favored 'General case' 0 CA--C 1.592 2.567 0 CA-C-O 125.108 2.385 . . . . 0.0 113.698 166.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.294 65.7 m-85 -59.84 -28.98 67.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.778 -1.826 . . . . 0.0 115.112 160.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.6 -38.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 116.705 -3.747 . . . . 0.0 107.774 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.05 -45.84 83.69 Favored 'General case' 0 C--N 1.4 2.765 0 O-C-N 119.647 -1.908 . . . . 0.0 110.102 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.294 10.0 t80 -54.93 -49.86 70.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 166.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.275 60.8 tp -74.59 -19.88 60.14 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-O 114.884 -2.484 . . . . 0.0 106.652 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.656 ' O ' HG23 ' A' ' 72' ' ' VAL 0.276 36.9 t80 -55.13 -48.72 73.27 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 125.618 1.824 . . . . 0.0 115.682 162.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.87 -50.27 46.31 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 123.367 1.556 . . . . 0.0 113.524 173.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.89 -43.8 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.659 2.171 . . . . 0.0 111.333 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -57.94 -33.56 68.94 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 114.664 -2.589 . . . . 0.0 110.311 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 68' ' ' PHE . 97.1 t -62.19 -51.84 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 CA-C-N 125.599 3.818 . . . . 0.0 109.581 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.9 3.14 Favored Glycine 0 N--CA 1.515 3.959 0 O-C-N 126.839 2.587 . . . . 0.0 116.616 162.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.8 m -73.88 -22.8 59.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -168.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.1 tp -78.67 -27.78 45.24 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 120.702 -1.249 . . . . 0.0 114.34 166.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.13 -54.88 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 171.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.84 -23.06 62.26 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.0 -46.25 82.39 Favored Glycine 0 C--O 1.18 -3.256 0 C-N-CA 127.569 2.509 . . . . 0.0 113.921 164.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.469 52.5 m-85 -60.61 -28.2 68.34 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 171.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -9.88 31.89 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 128.23 2.612 . . . . 0.0 117.85 164.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . 0.272 68.3 mtt85 -130.5 -53.79 1.09 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 129.732 3.213 . . . . 0.0 111.33 -172.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -57.58 -44.74 85.57 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 122.733 2.515 . . . . 0.0 107.762 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -71.0 126.4 29.46 Favored 'General case' 0 C--O 1.265 1.91 0 CA-C-O 117.609 -1.186 . . . . 0.0 112.517 157.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -65.88 -23.71 66.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 120.928 3.677 . . . . 0.0 120.928 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.364 0.5 OUTLIER -83.11 138.72 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 118.551 2.797 . . . . 0.0 118.551 -163.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.23 171.75 12.49 Favored 'General case' 0 CA--C 1.464 -2.343 0 C-N-CA 129.068 2.947 . . . . 0.0 109.597 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -78.55 123.65 27.3 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 120.091 -1.631 . . . . 0.0 111.159 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . 0.328 86.5 mtm-85 -151.42 -31.43 0.16 Allowed 'General case' 0 N--CA 1.534 3.76 0 C-N-CA 125.798 1.639 . . . . 0.0 111.459 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 p -77.56 141.22 39.67 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 124.444 2.068 . . . . 0.0 114.916 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -46.67 140.55 5.82 Favored Pre-proline 0 CA--C 1.573 1.856 0 CA-C-N 112.838 -1.983 . . . . 0.0 113.145 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.01 -22.31 62.58 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 115.948 -2.235 . . . . 0.0 114.427 -173.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -125.76 -0.57 7.36 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -167.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -36.98 28.19 Favored 'General case' 0 N--CA 1.416 -2.132 0 O-C-N 124.875 1.359 . . . . 0.0 114.608 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.268 0.5 OUTLIER -67.58 -21.89 27.97 Favored 'Isoleucine or valine' 0 C--N 1.413 3.342 0 O-C-N 120.243 -1.535 . . . . 0.0 112.72 178.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.506 ' CD2' HG22 ' A' ' 96' ' ' ILE 0.271 12.7 t80 -87.88 -29.21 21.05 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 117.585 2.439 . . . . 0.0 117.585 -177.246 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.506 HG22 ' CD2' ' A' ' 95' ' ' TYR 0.329 3.4 tt -145.85 120.76 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.678 0 C-N-CA 126.219 1.808 . . . . 0.0 111.793 176.215 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.56 -38.6 90.71 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 128.062 2.545 . . . . 0.0 111.555 -173.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.57 26.31 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 122.533 2.424 . . . . 0.0 117.135 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -114.87 133.1 56.25 Favored 'General case' 0 C--O 1.209 -1.075 1 O-C-N 116.168 -4.083 . . . . 0.0 114.602 173.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.41 122.25 38.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 C-N-CA 131.573 3.949 . . . . 0.0 105.703 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.269 42.8 t -122.6 139.22 54.17 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -170.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.1 ttp -71.6 144.4 49.49 Favored 'General case' 0 C--O 1.274 2.365 0 O-C-N 116.478 -3.889 . . . . 0.0 112.342 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.9 mm . . . . . 0 C--O 1.248 1.005 0 C-N-CA 128.985 2.914 . . . . 0.0 106.983 -172.737 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 C--O 1.202 -1.426 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -82.8 147.56 28.31 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 169.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -77.77 -24.55 48.9 Favored 'General case' 0 N--CA 1.478 0.949 1 O-C-N 115.76 -4.337 . . . . 0.0 116.805 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.311 2.8 m -77.24 78.9 3.76 Favored 'General case' 0 N--CA 1.521 3.111 0 CA-C-N 121.045 1.748 . . . . 0.0 111.199 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -149.1 172.81 14.19 Favored 'General case' 0 C--N 1.366 1.318 0 O-C-N 126.343 2.277 . . . . 0.0 111.994 -172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.17 -177.59 15.0 Favored Glycine 0 C--O 1.277 2.826 0 C-N-CA 124.572 1.082 . . . . 0.0 113.225 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.376 0.8 OUTLIER -122.35 162.58 21.3 Favored 'General case' 0 C--O 1.274 2.376 0 C-N-CA 128.708 2.803 . . . . 0.0 115.795 178.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 5.3 tm-20 -69.18 -42.53 75.73 Favored 'General case' 0 C--O 1.272 2.248 0 O-C-N 117.284 -3.385 . . . . 0.0 109.74 172.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.311 0.5 OUTLIER -60.01 -40.73 90.28 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 172.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -51.34 -46.3 62.6 Favored 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.07 -2.894 . . . . 0.0 116.456 159.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.261 13.9 t80 -59.94 -44.76 94.18 Favored 'General case' 0 C--N 1.393 2.468 0 O-C-N 125.381 1.676 . . . . 0.0 114.741 172.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.2 -34.09 70.54 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 120.468 -1.395 . . . . 0.0 109.093 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -66.12 -42.09 89.62 Favored 'General case' 0 N--CA 1.425 -1.688 0 O-C-N 120.348 -1.47 . . . . 0.0 114.605 168.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.75 -29.71 63.55 Favored 'General case' 0 C--O 1.174 -2.882 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -57.95 -56.64 19.34 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 127.705 2.402 . . . . 0.0 110.976 165.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.6 90.92 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 126.639 1.976 . . . . 0.0 109.409 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.328 1.3 p -70.96 -20.0 21.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 123.928 3.058 . . . . 0.0 114.807 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 18' ' ' LEU . 91.1 mt -84.85 -39.19 18.58 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 122.095 2.225 . . . . 0.0 115.762 169.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -53.43 -46.77 69.95 Favored 'General case' 0 N--CA 1.531 3.579 0 O-C-N 119.725 -1.859 . . . . 0.0 107.356 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.12 72.98 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.183 1.793 . . . . 0.0 114.441 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.68 -55.56 21.76 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.576 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -61.58 -30.79 70.9 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -31.47 63.06 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.426 2.2 m -52.03 -42.28 62.94 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 128.312 2.645 . . . . 0.0 112.037 155.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.87 -40.59 79.18 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 125.366 2.507 . . . . 0.0 112.37 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.97 -49.06 74.02 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.219 -3.426 . . . . 0.0 109.771 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p -56.77 -44.26 81.62 Favored 'General case' 0 C--O 1.191 -2.0 0 O-C-N 124.985 1.428 . . . . 0.0 110.775 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -66.61 -39.92 88.59 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 112.716 -2.038 . . . . 0.0 114.229 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.75 -19.38 63.91 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 118.996 2.962 . . . . 0.0 118.996 164.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.4 mt -92.25 16.53 11.33 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 119.058 -2.276 . . . . 0.0 111.122 172.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 126.63 31.35 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 117.109 -3.494 . . . . 0.0 116.33 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.6 147.92 53.95 Favored Pre-proline 0 N--CA 1.425 -1.723 0 C-N-CA 126.432 1.893 . . . . 0.0 112.839 -170.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -75.35 170.14 20.96 Favored 'Trans proline' 0 N--CA 1.422 -2.712 0 O-C-N 116.681 -2.326 . . . . 0.0 111.201 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.74 -170.94 25.49 Favored Glycine 2 CA--C 1.601 5.453 0 O-C-N 116.438 -3.914 . . . . 0.0 115.091 161.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.13 160.01 32.21 Favored 'Trans proline' 0 C--N 1.3 -1.981 1 C-N-CA 127.221 5.281 . . . . 0.0 111.43 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.87 160.55 14.75 Favored Glycine 0 C--O 1.252 1.268 0 C-N-CA 128.634 3.016 . . . . 0.0 113.45 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.291 39.2 mt -60.6 158.04 13.23 Favored 'General case' 1 N--CA 1.556 4.842 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 161.235 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.29 170.23 26.7 Favored Glycine 1 C--O 1.302 4.359 0 C-N-CA 126.907 2.194 . . . . 0.0 117.737 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -54.68 159.5 8.77 Favored 'Trans proline' 0 N--CA 1.482 0.837 0 C-N-CA 123.282 2.654 . . . . 0.0 112.51 -173.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.273 12.6 p30 -66.75 -20.39 65.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -77.86 -2.05 34.72 Favored 'General case' 0 N--CA 1.488 1.459 1 C-N-CA 132.971 4.508 . . . . 0.0 116.1 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -146.6 -4.02 0.6 Allowed 'General case' 0 CA--C 1.461 -2.445 0 C-N-CA 128.237 2.615 . . . . 0.0 115.988 172.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.253 2.1 m -125.98 134.22 51.56 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 117.342 -3.349 . . . . 0.0 112.267 -175.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.68 83.57 4.83 Favored 'General case' 0 CA--C 1.605 3.076 0 O-C-N 119.581 -1.949 . . . . 0.0 114.134 -169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 160.9 5.31 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 127.293 3.425 . . . . 0.0 110.524 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.57 155.07 21.87 Favored 'General case' 0 C--N 1.374 1.649 0 O-C-N 116.927 -3.608 . . . . 0.0 107.488 -173.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -173.11 166.76 4.96 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 116.679 -3.763 . . . . 0.0 109.741 149.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.38 156.95 37.82 Favored 'General case' 0 N--CA 1.414 -2.258 0 C-N-CA 126.071 1.748 . . . . 0.0 108.876 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 p -159.76 -16.34 0.06 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 119.371 3.1 . . . . 0.0 119.371 168.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.9 mt 53.79 40.78 0.79 Allowed Pre-proline 0 CA--C 1.579 2.09 1 C-N-CA 133.84 4.856 . . . . 0.0 120.976 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.64 168.95 23.1 Favored 'Trans proline' 0 N--CA 1.426 -2.448 0 N-CA-C 118.572 2.489 . . . . 0.0 118.572 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.38 171.73 43.59 Favored Glycine 0 CA--C 1.546 2.022 0 O-C-N 125.423 1.702 . . . . 0.0 115.856 156.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.14 139.97 49.88 Favored 'General case' 0 N--CA 1.425 -1.701 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 -174.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -162.65 119.67 1.98 Allowed 'General case' 0 C--O 1.277 2.524 0 O-C-N 125.504 1.753 . . . . 0.0 108.986 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -77.93 -7.99 57.5 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 112.83 -1.986 . . . . 0.0 112.504 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -86.2 -38.15 17.95 Favored 'General case' 0 C--O 1.165 -3.393 0 CA-C-O 115.93 -1.986 . . . . 0.0 106.605 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m -69.24 -41.44 76.97 Favored 'General case' 0 C--O 1.203 -1.366 0 C-N-CA 129.326 3.05 . . . . 0.0 108.265 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.92 -35.31 80.75 Favored 'General case' 0 N--CA 1.52 3.069 0 O-C-N 120.668 -1.27 . . . . 0.0 112.051 169.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.6 ttp -70.56 -35.74 73.24 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 128.61 2.764 . . . . 0.0 109.292 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 3.9 m-85 -73.37 -17.0 61.33 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 172.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.9 mt -82.5 -25.31 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 125.904 2.003 . . . . 0.0 115.574 169.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.11 -51.15 67.69 Favored 'General case' 0 C--O 1.185 -2.331 0 CA-C-O 123.748 1.737 . . . . 0.0 108.972 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.552 24.8 t80 -52.96 -26.75 16.13 Favored 'General case' 0 C--O 1.282 2.767 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 160.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.471 0.3 OUTLIER -77.48 -31.9 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.921 0 N-CA-C 119.779 3.252 . . . . 0.0 119.779 164.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.7 -24.85 63.64 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 125.496 2.57 . . . . 0.0 111.435 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.345 72.6 t80 -61.69 -71.73 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 162.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.86 -32.94 2.87 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 125.189 2.423 . . . . 0.0 116.121 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.36 -57.77 10.85 Favored 'General case' 0 CA--C 1.603 2.994 0 CA-C-N 112.645 -2.07 . . . . 0.0 115.411 169.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.96 64.8 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 120.325 1.42 . . . . 0.0 114.25 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.84 -37.27 54.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-O 116.307 -1.806 . . . . 0.0 106.503 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 1.7 m -79.17 -14.3 59.18 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.4 t -72.96 -32.37 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 125.071 1.482 . . . . 0.0 108.289 162.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.72 -42.88 37.71 Favored Glycine 0 CA--C 1.573 3.685 1 O-C-N 115.896 -4.253 . . . . 0.0 108.737 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 20.0 m -64.85 -27.56 68.95 Favored 'General case' 0 CA--C 1.487 -1.476 1 CA-C-N 107.463 -4.368 . . . . 0.0 109.636 -176.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.16 -43.17 92.66 Favored 'General case' 0 C--N 1.391 2.39 0 O-C-N 120.989 -1.069 . . . . 0.0 111.955 166.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.284 27.4 mt -61.08 -51.4 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.685 0 CA-C-O 115.461 -2.209 . . . . 0.0 109.811 171.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.58 -26.46 67.12 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 123.68 1.705 . . . . 0.0 113.554 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.427 ' HA2' ' HB2' ' A' ' 82' ' ' SER . . . -56.01 -40.36 82.14 Favored Glycine 0 N--CA 1.479 1.558 0 CA-C-N 113.359 -1.746 . . . . 0.0 115.594 169.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -79.51 -40.21 30.18 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.4 p -81.34 -22.32 38.53 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 119.237 3.051 . . . . 0.0 119.237 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -134.78 -49.42 0.76 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 118.385 2.735 . . . . 0.0 118.385 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.427 ' HB2' ' HA2' ' A' ' 78' ' ' GLY . 18.8 m -80.21 -25.06 39.82 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -149.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -51.32 143.76 10.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -79.02 50.6 1.05 Allowed 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.101 1.905 . . . . 0.0 112.553 -166.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.19 161.34 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 128.168 2.587 . . . . 0.0 107.752 170.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.391 66.8 m-20 -77.95 149.57 34.12 Favored 'General case' 0 N--CA 1.524 3.258 0 N-CA-C 119.007 2.966 . . . . 0.0 119.007 -170.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -70.49 146.79 50.02 Favored 'General case' 0 C--O 1.201 -1.467 0 O-C-N 118.641 -2.537 . . . . 0.0 109.816 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.06 32.78 2.63 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 125.413 2.53 . . . . 0.0 116.154 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . 0.279 5.3 p -146.22 135.45 22.8 Favored 'General case' 0 N--CA 1.536 3.856 0 CA-C-N 110.466 -3.061 . . . . 0.0 114.41 -160.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -61.33 160.13 26.0 Favored Pre-proline 0 N--CA 1.506 2.347 0 O-C-N 117.742 -3.099 . . . . 0.0 116.003 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -61.92 -22.9 75.21 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 CA-C-O 124.584 1.827 . . . . 0.0 113.969 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.516 0.5 OUTLIER -70.62 16.89 0.07 Allowed 'General case' 0 CA--C 1.458 -2.561 0 C-N-CA 128.196 2.598 . . . . 0.0 116.756 170.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -42.13 -40.45 2.33 Favored 'General case' 0 C--N 1.399 2.732 0 CA-C-O 112.028 -3.844 . . . . 0.0 111.014 -165.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.42 -22.26 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.99 0 O-C-N 127.227 2.829 . . . . 0.0 110.301 -172.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -89.69 -29.39 18.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 117.691 -3.131 . . . . 0.0 113.494 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.23 124.27 14.28 Favored 'Isoleucine or valine' 0 C--O 1.168 -3.22 0 C-N-CA 126.376 1.87 . . . . 0.0 107.651 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.92 -69.91 0.22 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 119.175 -2.203 . . . . 0.0 113.54 168.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -126.49 -33.36 2.57 Favored 'General case' 0 N--CA 1.413 -2.292 1 N-CA-C 123.067 4.469 . . . . 0.0 123.067 172.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -58.65 122.19 12.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -162.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -65.47 165.67 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 C-N-CA 129.332 3.053 . . . . 0.0 114.274 167.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.0 t -152.79 135.34 15.21 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 124.963 2.316 . . . . 0.0 111.093 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.93 30.23 7.48 Favored 'General case' 0 CA--C 1.599 2.854 0 CA-C-N 112.386 -2.188 . . . . 0.0 108.912 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.4 mm . . . . . 0 N--CA 1.507 2.416 0 CA-C-O 124.804 2.24 . . . . 0.0 110.576 176.406 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 36.7 ttm . . . . . 0 CA--C 1.547 0.829 0 CA-C-O 117.176 -1.392 . . . . 0.0 113.384 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.19 164.41 24.97 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 113.212 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -72.68 -22.96 60.83 Favored 'General case' 0 N--CA 1.409 -2.507 0 C-N-CA 130.263 3.425 . . . . 0.0 109.273 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER -85.99 162.26 18.59 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-N 122.64 2.473 . . . . 0.0 109.572 -170.006 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.85 144.8 34.66 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.98 1.312 . . . . 0.0 112.836 -169.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.62 119.01 1.75 Allowed Glycine 0 CA--C 1.536 1.381 0 CA-C-N 111.862 -2.426 . . . . 0.0 110.783 -172.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -64.61 154.92 34.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 124.054 0.941 . . . . 0.0 110.624 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -49.54 -49.3 46.7 Favored 'General case' 0 CA--C 1.614 3.439 0 CA-C-O 124.85 2.262 . . . . 0.0 110.145 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.1 OUTLIER -57.08 -21.53 32.48 Favored 'General case' 0 N--CA 1.512 2.673 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 173.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -83.76 -47.57 11.02 Favored 'General case' 0 C--O 1.191 -2.022 0 C-N-CA 128.36 2.664 . . . . 0.0 109.54 165.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -58.71 -28.1 65.5 Favored 'General case' 0 C--N 1.388 2.256 0 O-C-N 118.073 -2.892 . . . . 0.0 111.363 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -65.26 -26.72 68.22 Favored 'General case' 0 C--O 1.267 2.012 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 163.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 t -76.08 -48.14 21.92 Favored 'General case' 0 C--O 1.262 1.758 0 CA-C-O 115.829 -2.034 . . . . 0.0 111.614 166.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.78 -38.75 16.32 Favored 'General case' 0 C--N 1.391 2.388 0 O-C-N 126.217 2.198 . . . . 0.0 111.321 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -66.74 -43.95 82.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.468 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -54.28 28.72 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 124.443 1.097 . . . . 0.0 110.316 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.6 t -47.29 -39.06 5.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 115.955 -1.974 . . . . 0.0 114.784 167.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.33 -30.46 48.18 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.805 2.093 . . . . 0.0 114.961 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -72.82 -28.78 62.76 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 120.414 1.461 . . . . 0.0 113.972 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.99 76.83 Favored 'General case' 0 N--CA 1.517 2.923 0 C-N-CA 129.413 3.085 . . . . 0.0 110.926 162.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.35 -33.25 64.99 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.546 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.17 -24.43 37.55 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 122.078 2.217 . . . . 0.0 107.908 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -61.78 1.84 Allowed 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 118.849 2.907 . . . . 0.0 118.849 158.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.409 0.2 OUTLIER -35.68 -28.79 0.01 OUTLIER 'General case' 0 C--O 1.261 1.707 1 N-CA-C 123.608 4.669 . . . . 0.0 123.608 157.624 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.274 34.3 mt -87.85 -51.53 5.79 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 114.315 -2.755 . . . . 0.0 115.131 170.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.13 -26.65 67.54 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.655 -1.64 . . . . 0.0 111.433 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.9 p -59.12 -40.99 87.12 Favored 'General case' 0 C--N 1.244 -3.987 0 CA-C-N 121.914 2.143 . . . . 0.0 115.739 167.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -67.01 -45.18 78.33 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 116.854 -1.546 . . . . 0.0 112.033 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 tp -61.38 -39.54 91.03 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 115.851 -2.339 . . . . 0.0 115.8 173.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.17 -34.56 71.06 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . 0.253 35.3 t -27.63 106.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 1 N-CA-C 123.63 4.678 . . . . 0.0 123.63 -179.905 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -158.87 135.48 6.57 Favored Pre-proline 0 C--O 1.2 -1.52 0 C-N-CA 130.632 3.573 . . . . 0.0 115.304 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . 0.302 76.2 Cg_exo -63.2 140.79 79.65 Favored 'Trans proline' 0 N--CA 1.424 -2.596 0 CA-C-N 123.517 2.292 . . . . 0.0 113.794 -166.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.21 -165.21 21.05 Favored Glycine 2 N--CA 1.521 4.31 0 C-N-CA 117.889 -2.101 . . . . 0.0 113.338 149.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.427 4.0 Cg_exo -71.82 -42.76 1.51 Allowed 'Trans proline' 0 C--O 1.279 2.569 0 O-C-N 127.3 3.263 . . . . 0.0 115.095 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -165.9 24.0 Favored Glycine 1 N--CA 1.532 5.043 0 CA-C-O 124.169 1.983 . . . . 0.0 115.688 -177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 37' ' ' LEU . 16.3 mt -90.64 130.84 36.61 Favored 'General case' 0 N--CA 1.52 3.057 0 O-C-N 117.644 -3.268 . . . . 0.0 105.07 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.11 157.19 8.1 Favored Glycine 1 CA--C 1.593 4.907 0 O-C-N 119.239 -2.163 . . . . 0.0 111.234 -167.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -76.85 140.35 20.49 Favored 'Trans proline' 0 N--CA 1.506 2.249 0 CA-C-O 114.088 -2.547 . . . . 0.0 111.84 -158.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -138.1 -17.42 1.21 Allowed 'General case' 1 N--CA 1.378 -4.037 0 O-C-N 127.226 2.829 . . . . 0.0 116.366 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -123.49 7.01 8.93 Favored 'General case' 1 CA--C 1.629 4.017 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -171.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -89.83 21.25 3.67 Favored 'General case' 0 C--O 1.181 -2.515 0 CA-C-N 112.491 -2.141 . . . . 0.0 112.628 -158.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.0 t -56.82 162.94 2.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 118.547 -2.596 . . . . 0.0 115.106 164.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -66.93 157.93 32.03 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -61.71 119.61 9.05 Favored 'General case' 0 C--N 1.286 -2.175 0 C-N-CA 125.511 1.525 . . . . 0.0 114.997 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -63.92 -13.65 47.24 Favored 'General case' 0 N--CA 1.433 -1.29 0 O-C-N 118.43 -2.669 . . . . 0.0 111.777 -171.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -68.18 151.45 46.97 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-N 123.31 2.777 . . . . 0.0 114.503 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.32 151.3 5.48 Favored 'General case' 0 N--CA 1.525 3.277 0 O-C-N 119.079 -2.263 . . . . 0.0 111.863 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -95.55 1.76 53.98 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.08 117.37 9.96 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 118.458 -2.651 . . . . 0.0 111.369 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -66.45 141.92 63.42 Favored 'Trans proline' 0 C--N 1.386 2.515 0 N-CA-C 119.223 2.74 . . . . 0.0 119.223 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.14 167.43 46.42 Favored Glycine 0 CA--C 1.559 2.829 0 O-C-N 118.92 -2.362 . . . . 0.0 108.63 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -177.65 3.18 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -175.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -63.53 146.13 54.28 Favored 'General case' 0 C--O 1.161 -3.589 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.78 -25.22 67.15 Favored 'General case' 0 N--CA 1.393 -3.296 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -64.54 -22.85 67.08 Favored 'General case' 0 CA--C 1.581 2.153 0 O-C-N 117.89 -3.006 . . . . 0.0 115.077 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 p -75.86 -38.69 57.69 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 126.386 1.875 . . . . 0.0 112.262 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -62.0 -27.19 68.69 Favored 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 163.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.21 -39.09 86.26 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 125.774 1.922 . . . . 0.0 111.914 169.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.12 -24.28 66.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 114.824 -2.513 . . . . 0.0 116.158 158.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.99 -33.43 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-N 122.939 2.609 . . . . 0.0 108.696 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.0 -44.53 72.64 Favored 'General case' 0 CA--C 1.488 -1.422 0 O-C-N 125.629 1.831 . . . . 0.0 113.52 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.05 -20.34 57.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 117.701 2.482 . . . . 0.0 117.701 163.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.99 -24.84 5.32 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 113.722 -3.037 . . . . 0.0 105.955 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.252 53.0 mtt -70.74 -27.74 64.18 Favored 'General case' 0 N--CA 1.526 3.358 1 CA-C-N 126.662 4.301 . . . . 0.0 113.068 160.44 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -64.96 -52.44 56.29 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 119.527 -1.983 . . . . 0.0 115.489 160.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.88 -27.32 68.78 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 127.705 2.402 . . . . 0.0 109.076 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.503 5.9 t80 -54.88 -51.95 64.36 Favored 'General case' 0 C--N 1.4 2.761 1 O-C-N 113.388 -5.82 . . . . 0.0 119.715 162.29 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.34 71.84 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 168.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 C--O 1.28 2.699 0 C-N-CA 127.806 2.442 . . . . 0.0 111.285 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 2.6 m -69.58 -23.42 63.54 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 116.93 -3.606 . . . . 0.0 115.04 162.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.254 54.9 t -63.54 -42.24 95.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-O 125.088 2.375 . . . . 0.0 111.433 164.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.75 -44.29 95.03 Favored Glycine 0 N--CA 1.407 -3.28 1 O-C-N 115.342 -4.599 . . . . 0.0 110.876 174.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 41.3 m -70.74 -18.56 62.78 Favored 'General case' 0 CA--C 1.464 -2.347 0 O-C-N 125.684 1.461 . . . . 0.0 111.576 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.74 -46.8 14.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 122.661 2.482 . . . . 0.0 106.907 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 mt -54.46 -51.2 51.86 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.307 0 O-C-N 117.566 -3.209 . . . . 0.0 113.758 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.68 -20.72 65.94 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 118.671 -2.518 . . . . 0.0 110.273 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.37 -53.59 31.64 Favored Glycine 0 C--O 1.261 1.838 0 CA-C-O 118.791 -1.005 . . . . 0.0 115.002 159.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.256 16.5 t80 -57.75 -39.93 78.55 Favored 'General case' 0 N--CA 1.434 -1.271 2 CA-C-N 125.322 4.561 . . . . 0.0 114.783 -179.626 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 p -75.33 -30.16 60.2 Favored 'General case' 0 C--O 1.262 1.724 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 172.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -111.63 -66.49 1.08 Allowed 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.5 p -70.62 -30.79 67.53 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 124.208 1.956 . . . . 0.0 114.621 -172.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -76.2 -9.47 58.65 Favored 'General case' 1 N--CA 1.544 4.264 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 171.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.92 29.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 119.632 3.197 . . . . 0.0 119.632 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 85' ' ' VAL 0.334 1.5 t -42.9 -40.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 -172.508 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.303 6.6 p30 -77.77 -0.44 27.04 Favored 'General case' 0 C--O 1.171 -3.042 1 N-CA-C 123.617 4.673 . . . . 0.0 123.617 174.56 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -113.67 148.59 36.06 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 117.863 -3.023 . . . . 0.0 107.585 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -95.98 -45.11 7.06 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-O 115.229 -2.319 . . . . 0.0 115.682 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . 0.288 6.3 p -172.06 157.79 4.45 Favored 'General case' 0 CA--C 1.459 -2.539 0 CA-C-N 123.673 2.942 . . . . 0.0 113.082 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.53 129.48 85.48 Favored Pre-proline 0 C--O 1.269 2.118 0 C-N-CA 126.306 1.842 . . . . 0.0 112.526 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -78.54 66.0 8.56 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.94 -16.94 61.1 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 119.384 -2.072 . . . . 0.0 114.801 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -73.49 -11.14 60.35 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.505 -1.372 . . . . 0.0 110.854 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.793 1.0 OUTLIER -77.52 -9.74 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 173.368 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.327 1.6 p90 -151.86 -6.59 0.23 Allowed 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 -174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.87 160.0 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.864 0 CA-C-N 121.27 1.85 . . . . 0.0 108.922 158.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . 0.274 83.6 mttt -108.12 -10.23 15.47 Favored 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.224 -164.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -80.82 153.65 27.58 Favored 'General case' 0 CA--C 1.594 2.672 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.615 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.22 31.58 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.406 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.11 160.72 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 O-C-N 117.369 -3.332 . . . . 0.0 116.323 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 p -136.85 157.76 46.01 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.248 -1.532 . . . . 0.0 113.829 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 42.9 ttp -81.54 147.67 29.54 Favored 'General case' 0 C--O 1.26 1.622 0 C-N-CA 128.744 2.818 . . . . 0.0 110.466 -163.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.273 2.339 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.151 -172.427 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.244 0.773 0 CA-C-O 124.829 2.252 . . . . 0.0 115.622 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.97 -36.33 84.05 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.074 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -74.64 -30.3 61.57 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 123.635 2.925 . . . . 0.0 115.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -60.87 -47.66 85.34 Favored 'General case' 0 C--O 1.185 -2.327 0 C-N-CA 127.236 2.214 . . . . 0.0 111.686 172.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.48 -37.99 79.65 Favored 'General case' 0 C--N 1.382 2.019 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.86 -24.25 64.33 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 118.601 2.815 . . . . 0.0 118.601 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -86.97 -36.04 18.51 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 116.088 -1.91 . . . . 0.0 108.227 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -37.31 87.13 Favored 'General case' 0 N--CA 1.529 3.497 0 O-C-N 126.798 2.562 . . . . 0.0 108.783 163.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -66.99 -39.08 87.05 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 120.817 1.644 . . . . 0.0 108.998 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.57 95.51 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 116.765 -3.709 . . . . 0.0 112.341 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.7 -36.64 76.22 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.202 0 C-N-CA 125.665 1.586 . . . . 0.0 110.952 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.38 -41.35 80.67 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 126.696 1.998 . . . . 0.0 114.485 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -64.76 -46.8 80.63 Favored 'General case' 1 N--CA 1.581 6.124 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.953 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.85 76.13 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 166.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 tp -65.49 -39.14 91.54 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 119.533 1.061 . . . . 0.0 108.559 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -65.68 -30.53 71.23 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 118.127 -2.858 . . . . 0.0 115.768 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.06 67.35 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 130.412 3.485 . . . . 0.0 116.208 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.279 53.0 m -64.02 -41.26 97.49 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.28 -61.15 1.91 Allowed 'General case' 0 N--CA 1.473 0.724 0 O-C-N 116.342 -3.974 . . . . 0.0 112.77 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -52.19 -50.25 62.26 Favored 'General case' 0 C--N 1.292 -1.923 1 CA-C-N 127.444 4.656 . . . . 0.0 112.551 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.322 55.5 p . . . . . 0 CA--C 1.57 1.722 0 O-C-N 117.93 -2.981 . . . . 0.0 115.957 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 . . . . . 0 C--O 1.203 -1.387 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.5 p -80.95 -22.69 39.39 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 117.441 2.385 . . . . 0.0 117.441 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.4 ' HA ' ' HB ' ' A' ' 61' ' ' ILE 0.275 29.6 t80 -57.08 -40.44 76.92 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 130.788 3.635 . . . . 0.0 120.801 148.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 75.3 mtm -82.65 -34.58 27.42 Favored 'General case' 0 CA--C 1.608 3.203 0 O-C-N 119.983 -1.698 . . . . 0.0 109.546 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -57.26 -29.39 63.79 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 117.118 -3.488 . . . . 0.0 114.707 158.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' HA ' ' HB ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -74.69 -32.42 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.513 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 172.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.26 -37.51 83.61 Favored 'General case' 0 CA--C 1.592 2.56 0 CA-C-O 124.243 1.973 . . . . 0.0 114.45 166.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -74.05 -20.84 60.16 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 61' ' ' ILE . 2.5 t -72.04 -44.09 66.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 123.901 0.881 . . . . 0.0 109.155 167.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.6 ttp -56.44 -33.84 66.25 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 118.803 -2.436 . . . . 0.0 113.356 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.279 19.6 t80 -66.88 -52.12 47.3 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 116.445 -3.909 . . . . 0.0 116.879 167.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.53 -28.86 70.14 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 114.361 -2.733 . . . . 0.0 105.578 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.369 6.1 t80 -62.0 -48.67 79.3 Favored 'General case' 0 C--O 1.246 0.886 1 CA-C-N 126.349 4.159 . . . . 0.0 118.381 166.831 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.71 68.72 Favored 'General case' 0 CA--C 1.595 2.709 0 CA-C-N 122.119 2.236 . . . . 0.0 113.807 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.14 -27.99 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.829 0 O-C-N 119.509 -1.994 . . . . 0.0 110.031 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 m -62.27 -25.49 67.87 Favored 'General case' 0 C--O 1.196 -1.744 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 167.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.28 57.5 t -64.56 -40.02 87.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.063 0 O-C-N 124.5 1.125 . . . . 0.0 111.539 167.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.29 -49.63 72.62 Favored Glycine 1 CA--C 1.626 7.004 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -71.06 -23.86 62.22 Favored 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 127.686 2.394 . . . . 0.0 105.479 -170.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.94 -53.0 29.67 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 125.579 3.809 . . . . 0.0 114.717 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.317 10.2 mt -56.48 -41.92 73.86 Favored 'Isoleucine or valine' 0 C--N 1.381 1.948 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.1 tp -78.88 -31.79 45.62 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.269 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.091 0 N-CA-C 117.884 1.914 . . . . 0.0 117.884 153.459 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.243 0.738 0 N-CA-C 120.098 3.37 . . . . 0.0 120.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.65 -28.1 69.14 Favored 'General case' 0 CA--C 1.454 -2.725 0 CA-C-N 123.863 3.029 . . . . 0.0 116.019 168.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -68.64 -26.85 65.54 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 126.776 2.03 . . . . 0.0 112.216 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -83.68 -36.64 23.6 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 117.772 -3.08 . . . . 0.0 107.915 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.312 8.9 t80 -52.84 -43.56 66.12 Favored 'General case' 0 CA--C 1.621 3.674 0 CA-C-N 122.359 2.345 . . . . 0.0 115.19 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -22.85 63.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 t -78.47 -46.64 19.2 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 117.102 -3.499 . . . . 0.0 110.975 170.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' A' ' 17' ' ' VAL . 35.1 tp -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.554 1.124 1 O-C-N 115.976 -4.202 . . . . 0.0 117.755 167.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -43.85 78.39 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.375 170.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.04 89.59 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 14' ' ' LEU . 4.7 p -75.46 -28.06 19.7 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 116.168 -1.872 . . . . 0.0 111.428 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 mt -82.43 -28.67 31.2 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 122.476 2.398 . . . . 0.0 111.416 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.63 -38.75 60.84 Favored 'General case' 0 N--CA 1.516 2.838 0 CA-C-O 126.103 2.859 . . . . 0.0 116.033 163.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -34.24 20.93 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 111.326 -2.67 . . . . 0.0 109.414 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.53 -49.64 70.48 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 116.891 -1.528 . . . . 0.0 108.044 173.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.291 52.1 m-20 -47.67 -31.89 5.11 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.942 2.497 . . . . 0.0 117.424 166.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -45.77 14.45 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 117.581 -3.199 . . . . 0.0 110.141 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -24.31 64.71 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.286 54.2 tp -70.61 -44.0 68.16 Favored 'General case' 0 N--CA 1.428 -1.57 0 C-N-CA 123.895 0.878 . . . . 0.0 111.158 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -65.2 -38.08 89.34 Favored 'General case' 0 C--O 1.193 -1.875 0 C-N-CA 125.146 1.378 . . . . 0.0 111.292 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.252 62.1 p . . . . . 0 C--O 1.269 2.124 0 C-N-CA 116.668 -2.013 . . . . 0.0 112.955 170.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.278 27.6 t30 . . . . . 0 CA--C 1.473 -2.004 0 CA-C-O 122.46 1.124 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 p -76.96 -34.58 57.57 Favored 'General case' 0 C--O 1.174 -2.92 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.627 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.31 25.1 t80 -47.3 -45.81 24.52 Favored 'General case' 0 N--CA 1.41 -2.437 0 C-N-CA 127.422 2.289 . . . . 0.0 115.379 158.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.2 ttp -64.21 -48.83 74.34 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 120.219 -1.55 . . . . 0.0 110.861 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.313 65.2 m-85 -51.27 -20.89 1.82 Allowed 'General case' 0 CA--C 1.566 1.583 0 O-C-N 118.314 -2.741 . . . . 0.0 118.018 164.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.283 1.2 mp -78.61 -38.77 22.43 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.942 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.74 -33.99 73.21 Favored 'General case' 0 CA--C 1.556 1.199 0 O-C-N 120.861 -1.149 . . . . 0.0 110.935 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -68.57 -18.2 64.29 Favored 'General case' 0 N--CA 1.411 -2.414 0 O-C-N 116.781 -3.7 . . . . 0.0 117.399 162.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.31 -31.69 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 126.329 1.852 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 35.4 ttm -57.37 -45.96 83.87 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 130.071 3.348 . . . . 0.0 109.009 161.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.01 -36.93 84.62 Favored 'General case' 0 C--O 1.172 -2.986 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.5 tp -66.27 -28.77 68.97 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 118.077 -2.89 . . . . 0.0 113.135 167.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.82 -53.24 60.13 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 116.239 -1.839 . . . . 0.0 108.548 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.21 70.99 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 123.524 2.874 . . . . 0.0 113.525 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -75.48 -34.35 29.57 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 C-N-CA 126.866 2.066 . . . . 0.0 112.273 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 53.6 m -74.04 -24.8 59.59 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 117.173 -3.455 . . . . 0.0 111.744 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.5 -41.71 93.64 Favored 'Isoleucine or valine' 0 C--O 1.259 1.591 0 CA-C-N 124.053 3.115 . . . . 0.0 107.291 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.76 -35.09 26.05 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 120.359 -1.463 . . . . 0.0 114.107 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 43.2 m -54.47 -37.94 65.83 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 155.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.255 17.4 mt -69.41 -44.23 71.83 Favored 'General case' 0 N--CA 1.512 2.627 0 O-C-N 119.32 -2.113 . . . . 0.0 109.433 -176.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.53 -57.6 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.079 0 O-C-N 118.96 -2.337 . . . . 0.0 116.346 165.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.55 -24.27 65.51 Favored 'General case' 0 CA--C 1.606 3.131 0 O-C-N 119.292 -2.13 . . . . 0.0 115.016 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.483 0 O-C-N 120.982 -1.074 . . . . 0.0 113.054 161.57 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -45.53 -50.03 13.28 Favored 'General case' 0 CA--C 1.563 1.478 0 O-C-N 127.423 2.952 . . . . 0.0 113.1 161.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -24.65 61.76 Favored 'General case' 0 N--CA 1.515 2.779 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.353 26.7 t-105 -52.63 -54.65 30.27 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.479 -1.288 . . . . 0.0 113.889 158.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -63.78 -25.05 68.01 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.503 -1.373 . . . . 0.0 112.113 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.367 7.9 tp10 -66.92 -30.66 70.87 Favored 'General case' 0 C--O 1.182 -2.459 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 168.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -72.18 -44.87 62.35 Favored 'General case' 0 N--CA 1.526 3.357 0 CA-C-N 109.464 -3.516 . . . . 0.0 108.667 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 mt -69.45 -14.32 62.82 Favored 'General case' 0 C--O 1.188 -2.152 0 CA-C-O 115.403 -2.236 . . . . 0.0 114.459 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -82.48 -35.41 27.46 Favored 'General case' 0 C--O 1.187 -2.197 0 O-C-N 124.983 1.427 . . . . 0.0 113.638 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.7 94.18 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 120.042 -1.661 . . . . 0.0 113.766 170.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.384 0.3 OUTLIER -65.25 -42.27 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.68 -50.09 55.66 Favored 'General case' 0 N--CA 1.387 -3.617 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.68 -38.75 88.96 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 112.294 -2.23 . . . . 0.0 111.532 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.72 65.14 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 126.632 2.458 . . . . 0.0 114.616 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.83 -36.75 82.07 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 118.808 -1.157 . . . . 0.0 113.928 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.73 -43.84 75.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 125.045 1.338 . . . . 0.0 111.026 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.6 84.18 Favored 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.936 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -51.78 -32.14 29.87 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.949 2.656 . . . . 0.0 114.607 162.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.9 tp -81.61 -42.38 20.13 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 121.742 2.065 . . . . 0.0 111.315 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -62.24 -13.79 31.63 Favored 'General case' 0 N--CA 1.535 3.813 0 O-C-N 121.146 -0.971 . . . . 0.0 111.935 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 CA--C 1.567 1.606 0 O-C-N 120.558 -1.339 . . . . 0.0 110.905 162.681 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 N--CA 1.504 2.234 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -74.14 -28.62 61.41 Favored 'General case' 0 CA--C 1.464 -2.351 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.397 25.1 m-85 -69.52 -27.83 65.52 Favored 'General case' 0 C--O 1.176 -2.8 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 161.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mmm -71.63 -38.55 70.75 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.449 -2.215 . . . . 0.0 112.534 162.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.9 -27.8 53.73 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 122.583 2.447 . . . . 0.0 116.844 160.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -73.69 -25.35 20.63 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.209 0 CA-C-O 117.532 -1.223 . . . . 0.0 112.508 173.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 62' ' ' LEU . 61.7 mt -63.3 -43.9 96.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 120.647 1.567 . . . . 0.0 109.834 163.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.267 36.3 t80 -63.82 -22.12 66.76 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 127.313 2.883 . . . . 0.0 112.944 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.395 0.4 OUTLIER -94.17 -18.56 6.85 Favored 'Isoleucine or valine' 0 C--N 1.372 1.545 0 O-C-N 117.647 -3.158 . . . . 0.0 116.454 178.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.282 19.5 mtm -66.36 -43.73 85.17 Favored 'General case' 0 CA--C 1.602 2.96 0 O-C-N 120.117 -1.615 . . . . 0.0 111.254 154.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.15 -49.94 75.95 Favored 'General case' 0 CA--C 1.592 2.561 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.81 -38.4 81.85 Favored 'General case' 0 C--N 1.409 3.195 0 O-C-N 118.352 -2.717 . . . . 0.0 111.785 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.327 63.3 t80 -47.73 -51.91 20.43 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 117.613 2.449 . . . . 0.0 117.613 172.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.17 75.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 125.548 1.78 . . . . 0.0 112.203 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.01 -37.79 77.6 Favored 'Isoleucine or valine' 0 C--N 1.387 2.233 0 C-N-CA 127.406 2.282 . . . . 0.0 112.465 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -73.61 -15.47 61.27 Favored 'General case' 0 CA--C 1.485 -1.544 0 N-CA-C 121.305 3.817 . . . . 0.0 121.305 164.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.36 -49.93 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 164.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.74 -32.46 36.98 Favored Glycine 0 CA--C 1.488 -1.609 0 CA-C-N 119.735 1.152 . . . . 0.0 110.38 -168.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 t -61.39 -31.25 71.16 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 167.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.86 -52.5 42.79 Favored 'General case' 0 C--N 1.386 2.154 0 O-C-N 119.026 -2.296 . . . . 0.0 110.362 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.9 mt -56.79 -49.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 CA-C-O 121.697 0.761 . . . . 0.0 111.75 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.8 -38.57 64.66 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 161.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.901 0 CA-C-O 118.719 -1.045 . . . . 0.0 115.508 177.211 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.274 2.365 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -33.32 75.67 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 115.582 -2.151 . . . . 0.0 113.01 168.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 m -78.42 -32.44 48.64 Favored 'General case' 0 C--O 1.191 -2.013 0 CA-C-O 125.464 2.554 . . . . 0.0 114.543 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -61.97 -48.8 78.74 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-O 113.206 -3.283 . . . . 0.0 110.963 156.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.317 34.5 t80 -56.32 -51.4 68.38 Favored 'General case' 0 C--N 1.306 -1.315 1 CA-C-N 128.786 5.266 . . . . 0.0 115.166 174.947 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -62.1 -25.94 68.01 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.754 2.534 . . . . 0.0 116.339 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -82.68 -35.85 26.46 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 119.371 -2.081 . . . . 0.0 111.799 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.75 -33.39 74.75 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 165.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.488 ' ND1' ' HE2' ' A' ' 19' ' ' LYS . 57.4 t-80 -61.81 -51.16 69.39 Favored 'General case' 0 N--CA 1.535 3.81 0 CA-C-O 115.848 -2.025 . . . . 0.0 108.514 162.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.75 6.42 Favored 'General case' 0 N--CA 1.519 2.987 0 CA-C-N 122.184 2.266 . . . . 0.0 112.677 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.322 0.3 OUTLIER -57.63 -36.45 54.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -178.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.61 -31.91 62.17 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.493 -2.004 . . . . 0.0 114.682 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE2' ' ND1' ' A' ' 15' ' ' HIS . 18.3 mtmt -63.18 -32.71 74.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 127.543 3.027 . . . . 0.0 114.427 166.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.25 66.78 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.791 1.307 . . . . 0.0 111.732 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.0 -47.91 78.46 Favored 'General case' 0 CA--C 1.592 2.582 0 O-C-N 119.364 -2.085 . . . . 0.0 108.74 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -60.7 -27.81 68.17 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-O 123.524 1.63 . . . . 0.0 111.009 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.85 -29.95 13.93 Favored 'General case' 0 CA--C 1.595 2.692 1 O-C-N 115.784 -4.322 . . . . 0.0 109.931 -167.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.25 1.1 t -63.3 -33.9 76.51 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 124.521 2.105 . . . . 0.0 110.89 161.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.51 -37.46 68.36 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 118.84 -2.413 . . . . 0.0 114.762 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -64.42 -46.83 81.55 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 113.85 -2.976 . . . . 0.0 112.003 161.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.435 -1.185 0 CA-C-N 122.975 2.625 . . . . 0.0 116.394 168.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.7 p -52.21 -41.73 62.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.293 1.437 . . . . 0.0 109.544 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.42 -29.28 64.71 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 117.729 -3.107 . . . . 0.0 116.812 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.8 tpt -67.41 -46.81 72.1 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.422 1.701 . . . . 0.0 108.421 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.89 -33.63 57.11 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.039 0.936 . . . . 0.0 108.769 172.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.55 -38.08 72.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.977 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 62' ' ' LEU . 30.4 tp -50.88 -43.76 59.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.723 -1.861 . . . . 0.0 107.797 167.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.257 0.7 OUTLIER -68.93 -23.23 64.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 118.673 -2.517 . . . . 0.0 116.305 169.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -26.02 14.02 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.378 0 O-C-N 127.544 3.028 . . . . 0.0 115.23 175.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttp -65.86 -47.04 76.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.787 -1.195 . . . . 0.0 111.361 162.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.37 6.5 t80 -51.27 -56.66 11.81 Favored 'General case' 0 N--CA 1.533 3.712 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 164.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.36 -37.25 55.71 Favored 'General case' 0 N--CA 1.508 2.451 0 C-N-CA 125.97 1.708 . . . . 0.0 107.719 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.284 17.5 t80 -57.71 -38.76 75.82 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -28.49 65.25 Favored 'General case' 0 N--CA 1.515 2.794 0 C-N-CA 116.284 -2.166 . . . . 0.0 114.227 170.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.43 -36.2 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 124.875 1.359 . . . . 0.0 112.955 171.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.7 m -68.2 -28.34 67.17 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.808 1.318 . . . . 0.0 113.901 170.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.22 -45.43 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.247 0 O-C-N 118.392 -2.692 . . . . 0.0 111.327 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.82 -60.0 9.39 Favored Glycine 0 C--O 1.198 -2.107 0 CA-C-O 117.61 -1.661 . . . . 0.0 114.34 166.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . 0.364 6.1 m -46.09 -34.79 4.42 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 126.016 1.726 . . . . 0.0 112.587 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.67 -41.42 68.72 Favored 'General case' 0 CA--C 1.468 -2.197 0 O-C-N 118.584 -2.573 . . . . 0.0 113.708 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--O 1.271 2.233 0 O-C-N 120.43 -1.418 . . . . 0.0 108.801 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.39 -42.17 96.28 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.411 2.284 . . . . 0.0 112.387 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.652 0 CA-C-N 122.592 2.451 . . . . 0.0 110.193 176.419 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.342 1.2 p . . . . . 0 CA--C 1.504 -0.822 0 N-CA-C 117.344 2.349 . . . . 0.0 117.344 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.38 -25.66 68.39 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 126.502 3.049 . . . . 0.0 115.411 172.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -80.02 -35.1 37.75 Favored 'General case' 0 CA--C 1.476 -1.901 0 O-C-N 118.863 -2.398 . . . . 0.0 108.084 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -61.62 -38.84 89.11 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 117.679 -3.138 . . . . 0.0 112.897 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.307 3.1 t80 -60.21 -41.76 93.72 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-N 123.704 2.956 . . . . 0.0 113.263 172.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 -11.99 58.14 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-O 124.723 2.201 . . . . 0.0 110.523 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -79.59 -42.13 25.64 Favored 'General case' 0 C--O 1.274 2.351 0 CA-C-O 126.014 2.816 . . . . 0.0 114.626 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.87 -56.06 27.1 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 119.251 -2.156 . . . . 0.0 108.367 167.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -67.04 -19.26 65.65 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 117.517 -3.24 . . . . 0.0 116.373 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.25 . . -78.03 -48.45 16.11 Favored 'General case' 0 CA--C 1.566 1.576 0 O-C-N 127.338 2.899 . . . . 0.0 115.977 166.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.336 3.0 p -64.39 -28.65 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 117.46 2.393 . . . . 0.0 117.46 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.5 -44.84 81.48 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.595 -1.316 . . . . 0.0 110.509 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.2 -32.67 74.47 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -42.6 78.7 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 125.863 1.665 . . . . 0.0 113.17 164.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.62 -41.25 85.47 Favored 'General case' 0 N--CA 1.531 3.579 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.27 3.9 m-80 -67.58 -35.23 78.61 Favored 'General case' 0 N--CA 1.426 -1.651 1 C-N-CA 132.504 4.321 . . . . 0.0 112.173 176.112 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.53 -46.8 24.99 Favored 'General case' 0 CA--C 1.575 1.928 1 O-C-N 113.91 -5.494 . . . . 0.0 103.536 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.316 1.9 m -45.22 -41.42 8.33 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-O 122.829 1.3 . . . . 0.0 113.694 164.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.0 -41.59 25.53 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 117.341 -3.35 . . . . 0.0 107.107 -174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.4 -33.05 74.01 Favored 'General case' 0 CA--C 1.58 2.097 0 O-C-N 119.713 -1.867 . . . . 0.0 111.522 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.278 -2.535 0 C-N-CA 124.348 1.059 . . . . 0.0 110.457 173.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t30 . . . . . 0 CA--C 1.592 2.584 0 CA-C-O 114.892 -2.48 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -56.36 -45.16 80.59 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 125.232 1.582 . . . . 0.0 112.945 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.458 17.3 m-85 -66.76 -27.13 67.35 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -174.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -87.13 -36.01 18.32 Favored 'General case' 0 C--O 1.273 2.337 1 O-C-N 129.534 4.271 . . . . 0.0 108.058 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -54.24 -31.73 54.17 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 113.278 -3.249 . . . . 0.0 118.276 153.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.5 mm -72.15 -36.05 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 CA-C-N 122.967 2.621 . . . . 0.0 107.081 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.19 -39.61 78.55 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 119.116 0.871 . . . . 0.0 113.299 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.308 6.0 t80 -50.72 -25.99 4.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.032 2.533 . . . . 0.0 116.601 156.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.54 -20.25 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 120.101 -1.624 . . . . 0.0 111.239 -172.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.01 -35.88 81.7 Favored 'General case' 0 CA--C 1.601 2.908 0 O-C-N 118.507 -2.621 . . . . 0.0 112.729 153.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.286 15.9 t80 -67.34 -49.09 65.5 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 167.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.11 -25.34 66.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.754 1.909 . . . . 0.0 115.108 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.64 -53.83 50.89 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.491 -2.006 . . . . 0.0 114.915 163.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 -27.51 62.74 Favored 'General case' 0 CA--C 1.62 3.643 0 CA-C-N 124.268 3.213 . . . . 0.0 115.472 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 t -75.15 -32.98 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 171.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.561 0.2 OUTLIER -59.27 -23.47 62.41 Favored 'General case' 0 N--CA 1.439 -0.978 1 C-N-CA 133.838 4.855 . . . . 0.0 112.581 163.494 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 t -78.32 -37.28 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-O 114.495 -2.669 . . . . 0.0 114.131 166.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.25 -39.27 95.93 Favored Glycine 0 CA--C 1.572 3.644 0 CA-C-O 116.702 -2.166 . . . . 0.0 107.704 163.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 -33.73 58.26 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 120.51 2.155 . . . . 0.0 111.215 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.67 -36.26 62.79 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-O 115.168 -2.349 . . . . 0.0 108.658 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.7 mt -67.98 -38.64 80.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-N 123.514 2.87 . . . . 0.0 108.972 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.79 -37.21 78.45 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 170.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.613 0 C-N-CA 125.76 1.648 . . . . 0.0 114.499 174.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.534 3.736 0 N-CA-C 116.982 2.215 . . . . 0.0 116.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -66.28 -38.39 87.67 Favored 'General case' 0 C--O 1.297 3.555 0 CA-C-O 123.845 1.783 . . . . 0.0 107.731 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.545 0.0 OUTLIER -62.05 -45.16 94.77 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 119.961 -1.712 . . . . 0.0 114.136 167.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.66 -50.64 72.68 Favored 'General case' 0 N--CA 1.533 3.702 0 O-C-N 117.173 -3.454 . . . . 0.0 109.95 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.402 4.1 t80 -54.65 -44.48 73.28 Favored 'General case' 0 CA--C 1.463 -2.401 0 CA-C-O 114.727 -2.558 . . . . 0.0 117.222 172.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.81 -23.35 66.17 Favored 'General case' 0 CA--C 1.606 3.13 0 CA-C-N 120.34 1.427 . . . . 0.0 108.829 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -80.15 -31.88 38.93 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.395 -1.441 . . . . 0.0 111.736 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -67.0 -37.75 84.76 Favored 'General case' 0 C--N 1.407 3.066 0 O-C-N 117.819 -3.05 . . . . 0.0 114.02 165.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -57.25 -42.29 81.23 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.97 89.03 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.657 1.983 . . . . 0.0 109.473 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.85 -58.12 5.96 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.663 0 CA-C-N 124.688 3.403 . . . . 0.0 111.359 161.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.95 -25.16 67.76 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 119.044 -2.285 . . . . 0.0 111.356 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.72 -43.16 66.37 Favored 'General case' 0 N--CA 1.521 3.097 0 O-C-N 118.985 -2.322 . . . . 0.0 114.041 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.03 -63.81 0.94 Allowed 'General case' 0 C--O 1.197 -1.708 0 O-C-N 126.729 2.518 . . . . 0.0 109.791 163.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tt -46.09 -39.78 9.88 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 118.909 -2.37 . . . . 0.0 115.281 175.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.0 -24.52 61.58 Favored 'General case' 0 CA--C 1.601 2.942 0 C-N-CA 128.518 2.727 . . . . 0.0 109.752 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.97 -52.97 9.8 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 120.519 -1.363 . . . . 0.0 108.363 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -43.3 29.52 Favored 'General case' 0 C--O 1.186 -2.245 0 C-N-CA 127.376 2.27 . . . . 0.0 114.16 163.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.67 -61.64 2.18 Favored 'General case' 0 C--O 1.18 -2.583 0 O-C-N 117.99 -2.944 . . . . 0.0 114.388 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.25 -34.85 77.32 Favored 'General case' 0 CA--C 1.501 -0.912 0 O-C-N 121.562 -0.711 . . . . 0.0 111.744 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.568 1.671 0 C-N-CA 127.05 2.14 . . . . 0.0 114.774 175.176 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.632 -1.652 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.5 p -52.29 -30.03 26.06 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.428 2.381 . . . . 0.0 117.428 161.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.29 60.5 m-85 -67.86 -31.55 71.45 Favored 'General case' 0 N--CA 1.395 -3.211 1 O-C-N 116.101 -4.124 . . . . 0.0 117.046 176.549 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.345 22.0 ttp -67.74 -50.99 54.37 Favored 'General case' 0 C--N 1.319 -0.727 1 C-N-CA 134.887 5.275 . . . . 0.0 108.569 170.754 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.59 71.0 m-85 -46.08 -41.2 11.91 Favored 'General case' 0 C--O 1.167 -3.261 0 CA-C-O 123.663 1.697 . . . . 0.0 115.452 160.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.254 33.2 mt -73.39 -20.17 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.307 0 CA-C-O 116.347 -1.787 . . . . 0.0 110.992 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.24 -54.73 7.11 Favored 'General case' 0 C--O 1.201 -1.47 0 CA-C-N 120.982 1.719 . . . . 0.0 107.394 170.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.451 53.6 m-85 -54.8 -21.83 12.44 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 128.266 3.479 . . . . 0.0 117.552 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.424 0.4 OUTLIER -73.93 -41.0 53.27 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 128.367 2.667 . . . . 0.0 110.434 174.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 tpp -66.69 -33.16 75.03 Favored 'General case' 0 CA--C 1.477 -1.851 0 O-C-N 120.831 -1.168 . . . . 0.0 113.928 172.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.419 32.9 m-85 -60.59 -52.24 66.01 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 161.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tp -42.14 -45.81 4.15 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 119.678 3.214 . . . . 0.0 119.678 163.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.9 -61.26 2.05 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 160.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.7 33.22 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 121.195 1.816 . . . . 0.0 114.818 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.05 -29.85 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.802 0 C-N-CA 123.947 0.899 . . . . 0.0 111.768 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -59.8 -23.84 63.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 115.573 -2.156 . . . . 0.0 116.272 157.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.339 2.9 t -68.97 -45.03 80.94 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 CA-C-N 123.129 2.695 . . . . 0.0 111.793 170.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.94 66.25 Favored Glycine 0 N--CA 1.486 2.0 0 CA-C-N 112.039 -2.346 . . . . 0.0 110.963 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -83.71 -6.94 59.56 Favored 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.296 59.1 mt -63.03 -50.99 68.51 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 124.315 2.007 . . . . 0.0 113.691 151.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -61.43 -54.74 30.96 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.013 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.11 -19.86 65.98 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 3.171 0 CA-C-O 116.587 -2.23 . . . . 0.0 114.498 163.394 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.439 -1.021 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -62.74 -27.02 68.99 Favored 'General case' 0 CA--C 1.612 3.337 0 C-N-CA 117.6 -1.64 . . . . 0.0 110.715 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.319 3.8 p -71.41 -33.76 69.75 Favored 'General case' 1 N--CA 1.543 4.217 0 O-C-N 119.641 -1.912 . . . . 0.0 112.781 177.617 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -40.46 97.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 125.838 1.961 . . . . 0.0 113.747 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.428 34.9 m-85 -60.01 -30.8 69.39 Favored 'General case' 1 N--CA 1.539 4.015 0 O-C-N 127.954 3.284 . . . . 0.0 116.924 166.688 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -88.81 -11.71 44.05 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 173.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.5 m -82.95 -36.82 24.85 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 115.213 -2.327 . . . . 0.0 106.643 168.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.87 -34.29 74.39 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 121.125 1.784 . . . . 0.0 110.055 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.14 -40.88 97.11 Favored 'General case' 0 CA--C 1.464 -2.34 0 O-C-N 124.998 1.436 . . . . 0.0 110.517 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -28.79 68.42 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 116.601 2.074 . . . . 0.0 116.601 170.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.35 -43.36 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 125.127 1.371 . . . . 0.0 112.832 171.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.23 -30.2 70.3 Favored 'General case' 0 N--CA 1.398 -3.039 0 O-C-N 118.738 -2.476 . . . . 0.0 114.261 170.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -64.21 -44.34 92.23 Favored 'General case' 0 CA--C 1.474 -1.972 0 O-C-N 119.162 -2.211 . . . . 0.0 115.661 169.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 -46.76 72.3 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.126 -2.306 . . . . 0.0 108.005 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.3 -47.1 74.72 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 120.988 1.722 . . . . 0.0 115.324 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.263 77.2 m-20 -65.59 -23.63 66.88 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 121.814 2.097 . . . . 0.0 113.073 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.59 46.94 Favored 'General case' 0 N--CA 1.538 3.93 0 C-N-CA 127.676 2.391 . . . . 0.0 116.342 166.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -57.79 -30.9 66.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 114.549 -2.644 . . . . 0.0 113.866 163.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.13 -35.93 61.66 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 128.091 3.369 . . . . 0.0 112.35 166.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.18 -25.8 62.68 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 117.478 -3.264 . . . . 0.0 113.536 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.427 -1.603 0 O-C-N 118.24 -2.788 . . . . 0.0 107.178 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 CA--C 1.566 1.571 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -52.32 -23.12 5.31 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 127.041 2.136 . . . . 0.0 110.372 163.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -80.18 -21.65 42.77 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 119.843 3.275 . . . . 0.0 119.843 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.1 ttm -74.69 -30.24 61.49 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 127.012 2.125 . . . . 0.0 109.876 162.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 36.1 t80 -57.96 -46.58 84.89 Favored 'General case' 0 N--CA 1.419 -2.004 0 C-N-CA 115.74 -2.384 . . . . 0.0 114.367 157.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.386 33.9 mm -51.01 -37.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 171.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.25 -42.54 36.81 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 119.486 -2.009 . . . . 0.0 113.753 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -60.66 -27.88 68.17 Favored 'General case' 1 C--O 1.323 4.959 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 170.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -13.57 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.0 mtm -64.89 -37.28 87.11 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-O 124.243 1.973 . . . . 0.0 108.553 152.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.321 42.3 t80 -70.2 -42.7 72.0 Favored 'General case' 0 C--O 1.271 2.191 0 C-N-CA 116.52 -2.072 . . . . 0.0 115.539 171.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.62 -27.3 66.78 Favored 'General case' 0 C--O 1.278 2.579 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.653 2.6 t80 -43.1 -60.51 1.62 Allowed 'General case' 0 CA--C 1.485 -1.552 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 159.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.6 -25.84 63.23 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.208 -1.557 . . . . 0.0 111.092 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.18 -39.13 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 C-N-CA 129.292 3.037 . . . . 0.0 105.908 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.295 12.5 m -64.36 -37.05 86.16 Favored 'General case' 0 C--O 1.172 -3.024 1 CA-C-O 111.587 -4.054 . . . . 0.0 112.54 168.56 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.251 39.6 t -52.04 -52.48 23.39 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-N 122.422 2.374 . . . . 0.0 113.236 168.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.85 -21.24 73.1 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-O 114.462 -3.41 . . . . 0.0 113.429 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 m -72.57 -40.2 66.8 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 129.106 2.963 . . . . 0.0 107.542 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.277 47.9 tp -65.59 -33.54 76.14 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 124.453 2.073 . . . . 0.0 116.24 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.37 -48.02 82.21 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 118.646 -2.534 . . . . 0.0 106.91 168.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.37 -24.1 67.15 Favored 'General case' 0 N--CA 1.524 3.228 0 O-C-N 116.961 -3.587 . . . . 0.0 109.389 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.402 -3.597 0 C-N-CA 127.826 2.632 . . . . 0.0 108.937 176.261 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.567 1.623 0 CA-C-O 115.876 -2.011 . . . . 0.0 112.609 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -65.09 -26.76 68.36 Favored 'General case' 0 CA--C 1.579 2.061 0 C-N-CA 127.515 2.326 . . . . 0.0 111.444 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 p -73.22 -42.95 62.04 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 118.778 -2.451 . . . . 0.0 111.208 169.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.317 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.458 15.1 t80 -47.08 -36.27 7.98 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 122.616 2.462 . . . . 0.0 116.868 165.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -71.97 -28.27 63.32 Favored 'General case' 0 N--CA 1.538 3.95 0 O-C-N 120.699 -1.251 . . . . 0.0 112.576 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 p -82.72 -39.25 22.18 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 119.203 -2.186 . . . . 0.0 109.463 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.64 -25.82 60.71 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.682 -1.261 . . . . 0.0 113.596 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.291 10.6 m-70 -91.25 -35.01 14.74 Favored 'General case' 0 N--CA 1.53 3.568 0 O-C-N 119.586 -1.946 . . . . 0.0 110.579 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.76 -47.9 59.39 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 159.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -33.66 64.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 O-C-N 124.15 0.906 . . . . 0.0 113.2 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.07 -41.97 97.14 Favored 'General case' 0 CA--C 1.575 1.914 0 O-C-N 118.958 -2.339 . . . . 0.0 110.027 172.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -71.17 -29.71 65.54 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.024 -1.047 . . . . 0.0 112.976 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.11 46.66 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.28 -53.13 21.32 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.604 165.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.252 98.0 m-20 -60.76 -21.43 63.01 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 174.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.68 18.22 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.325 0.8 OUTLIER -104.05 -15.61 15.53 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 120.354 3.464 . . . . 0.0 120.354 166.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.94 -25.52 67.65 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 123.724 1.726 . . . . 0.0 111.777 168.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -121.54 32.3 5.95 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 130.427 3.491 . . . . 0.0 114.465 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.253 1.241 0 O-C-N 116.35 -3.968 . . . . 0.0 117.749 174.249 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.269 25.5 t-20 . . . . . 0 C--O 1.175 -2.856 0 CA-C-O 127.055 3.312 . . . . 0.0 114.017 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 m -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.299 -1.626 1 O-C-N 115.634 -4.416 . . . . 0.0 109.352 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.272 65.8 t80 -64.71 -34.66 78.83 Favored 'General case' 0 C--O 1.186 -2.275 0 CA-C-N 119.294 0.952 . . . . 0.0 111.621 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 tpp -71.6 -38.83 70.82 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 125.649 2.643 . . . . 0.0 109.084 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.281 54.4 m-85 -54.75 -39.44 68.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 118.401 -2.687 . . . . 0.0 110.426 160.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -70.9 -27.61 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 2 O-C-N 114.601 -5.062 . . . . 0.0 114.351 173.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.03 -37.85 88.96 Favored 'General case' 0 CA--C 1.592 2.567 0 CA-C-O 125.108 2.385 . . . . 0.0 113.698 166.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.294 65.7 m-85 -59.84 -28.98 67.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.778 -1.826 . . . . 0.0 115.112 160.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.6 -38.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 116.705 -3.747 . . . . 0.0 107.774 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.05 -45.84 83.69 Favored 'General case' 0 C--N 1.4 2.765 0 O-C-N 119.647 -1.908 . . . . 0.0 110.102 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.294 10.0 t80 -54.93 -49.86 70.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 166.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.275 60.8 tp -74.59 -19.88 60.14 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-O 114.884 -2.484 . . . . 0.0 106.652 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.656 ' O ' HG23 ' A' ' 72' ' ' VAL 0.276 36.9 t80 -55.13 -48.72 73.27 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 125.618 1.824 . . . . 0.0 115.682 162.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.87 -50.27 46.31 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 123.367 1.556 . . . . 0.0 113.524 173.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.89 -43.8 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.659 2.171 . . . . 0.0 111.333 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -57.94 -33.56 68.94 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 114.664 -2.589 . . . . 0.0 110.311 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 68' ' ' PHE . 97.1 t -62.19 -51.84 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 CA-C-N 125.599 3.818 . . . . 0.0 109.581 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.9 3.14 Favored Glycine 0 N--CA 1.515 3.959 0 O-C-N 126.839 2.587 . . . . 0.0 116.616 162.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.8 m -73.88 -22.8 59.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -168.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.1 tp -78.67 -27.78 45.24 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 120.702 -1.249 . . . . 0.0 114.34 166.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.13 -54.88 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 171.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.84 -23.06 62.26 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.18 -3.256 0 C-N-CA 127.569 2.509 . . . . 0.0 113.921 164.819 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.376 0.8 OUTLIER . . . . . 0 C--O 1.274 2.376 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 5.3 tm-20 -69.18 -42.53 75.73 Favored 'General case' 0 C--O 1.272 2.248 0 O-C-N 117.284 -3.385 . . . . 0.0 109.74 172.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.311 0.5 OUTLIER -60.01 -40.73 90.28 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 172.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -51.34 -46.3 62.6 Favored 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.07 -2.894 . . . . 0.0 116.456 159.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.261 13.9 t80 -59.94 -44.76 94.18 Favored 'General case' 0 C--N 1.393 2.468 0 O-C-N 125.381 1.676 . . . . 0.0 114.741 172.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.2 -34.09 70.54 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 120.468 -1.395 . . . . 0.0 109.093 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -66.12 -42.09 89.62 Favored 'General case' 0 N--CA 1.425 -1.688 0 O-C-N 120.348 -1.47 . . . . 0.0 114.605 168.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.75 -29.71 63.55 Favored 'General case' 0 C--O 1.174 -2.882 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -57.95 -56.64 19.34 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 127.705 2.402 . . . . 0.0 110.976 165.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.6 90.92 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 126.639 1.976 . . . . 0.0 109.409 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.328 1.3 p -70.96 -20.0 21.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 123.928 3.058 . . . . 0.0 114.807 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 18' ' ' LEU . 91.1 mt -84.85 -39.19 18.58 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 122.095 2.225 . . . . 0.0 115.762 169.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -53.43 -46.77 69.95 Favored 'General case' 0 N--CA 1.531 3.579 0 O-C-N 119.725 -1.859 . . . . 0.0 107.356 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.12 72.98 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.183 1.793 . . . . 0.0 114.441 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.68 -55.56 21.76 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.576 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -61.58 -30.79 70.9 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -31.47 63.06 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.426 2.2 m -52.03 -42.28 62.94 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 128.312 2.645 . . . . 0.0 112.037 155.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.87 -40.59 79.18 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 125.366 2.507 . . . . 0.0 112.37 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.97 -49.06 74.02 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.219 -3.426 . . . . 0.0 109.771 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.191 -2.0 0 O-C-N 124.985 1.428 . . . . 0.0 110.775 -177.452 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 . . . . . 0 C--O 1.165 -3.393 0 CA-C-O 115.93 -1.986 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m -69.24 -41.44 76.97 Favored 'General case' 0 C--O 1.203 -1.366 0 C-N-CA 129.326 3.05 . . . . 0.0 108.265 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.92 -35.31 80.75 Favored 'General case' 0 N--CA 1.52 3.069 0 O-C-N 120.668 -1.27 . . . . 0.0 112.051 169.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.6 ttp -70.56 -35.74 73.24 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 128.61 2.764 . . . . 0.0 109.292 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 3.9 m-85 -73.37 -17.0 61.33 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 172.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.9 mt -82.5 -25.31 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 125.904 2.003 . . . . 0.0 115.574 169.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.11 -51.15 67.69 Favored 'General case' 0 C--O 1.185 -2.331 0 CA-C-O 123.748 1.737 . . . . 0.0 108.972 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.552 24.8 t80 -52.96 -26.75 16.13 Favored 'General case' 0 C--O 1.282 2.767 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 160.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.471 0.3 OUTLIER -77.48 -31.9 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.921 0 N-CA-C 119.779 3.252 . . . . 0.0 119.779 164.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.7 -24.85 63.64 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 125.496 2.57 . . . . 0.0 111.435 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.345 72.6 t80 -61.69 -71.73 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 162.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.86 -32.94 2.87 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 125.189 2.423 . . . . 0.0 116.121 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.36 -57.77 10.85 Favored 'General case' 0 CA--C 1.603 2.994 0 CA-C-N 112.645 -2.07 . . . . 0.0 115.411 169.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.96 64.8 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 120.325 1.42 . . . . 0.0 114.25 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.84 -37.27 54.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-O 116.307 -1.806 . . . . 0.0 106.503 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 1.7 m -79.17 -14.3 59.18 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.4 t -72.96 -32.37 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 125.071 1.482 . . . . 0.0 108.289 162.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.72 -42.88 37.71 Favored Glycine 0 CA--C 1.573 3.685 1 O-C-N 115.896 -4.253 . . . . 0.0 108.737 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 20.0 m -64.85 -27.56 68.95 Favored 'General case' 0 CA--C 1.487 -1.476 1 CA-C-N 107.463 -4.368 . . . . 0.0 109.636 -176.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.16 -43.17 92.66 Favored 'General case' 0 C--N 1.391 2.39 0 O-C-N 120.989 -1.069 . . . . 0.0 111.955 166.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.284 27.4 mt -61.08 -51.4 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.685 0 CA-C-O 115.461 -2.209 . . . . 0.0 109.811 171.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.58 -26.46 67.12 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 123.68 1.705 . . . . 0.0 113.554 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-N 113.359 -1.746 . . . . 0.0 115.594 169.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.428 -1.533 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -49.54 -49.3 46.7 Favored 'General case' 0 CA--C 1.614 3.439 0 CA-C-O 124.85 2.262 . . . . 0.0 110.145 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.1 OUTLIER -57.08 -21.53 32.48 Favored 'General case' 0 N--CA 1.512 2.673 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 173.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -83.76 -47.57 11.02 Favored 'General case' 0 C--O 1.191 -2.022 0 C-N-CA 128.36 2.664 . . . . 0.0 109.54 165.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -58.71 -28.1 65.5 Favored 'General case' 0 C--N 1.388 2.256 0 O-C-N 118.073 -2.892 . . . . 0.0 111.363 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -65.26 -26.72 68.22 Favored 'General case' 0 C--O 1.267 2.012 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 163.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 t -76.08 -48.14 21.92 Favored 'General case' 0 C--O 1.262 1.758 0 CA-C-O 115.829 -2.034 . . . . 0.0 111.614 166.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.78 -38.75 16.32 Favored 'General case' 0 C--N 1.391 2.388 0 O-C-N 126.217 2.198 . . . . 0.0 111.321 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -66.74 -43.95 82.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.468 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -54.28 28.72 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 124.443 1.097 . . . . 0.0 110.316 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.6 t -47.29 -39.06 5.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 115.955 -1.974 . . . . 0.0 114.784 167.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.33 -30.46 48.18 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.805 2.093 . . . . 0.0 114.961 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -72.82 -28.78 62.76 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 120.414 1.461 . . . . 0.0 113.972 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.99 76.83 Favored 'General case' 0 N--CA 1.517 2.923 0 C-N-CA 129.413 3.085 . . . . 0.0 110.926 162.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.35 -33.25 64.99 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.546 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.17 -24.43 37.55 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 122.078 2.217 . . . . 0.0 107.908 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -61.78 1.84 Allowed 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 118.849 2.907 . . . . 0.0 118.849 158.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.409 0.2 OUTLIER -35.68 -28.79 0.01 OUTLIER 'General case' 0 C--O 1.261 1.707 1 N-CA-C 123.608 4.669 . . . . 0.0 123.608 157.624 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.274 34.3 mt -87.85 -51.53 5.79 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 114.315 -2.755 . . . . 0.0 115.131 170.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.13 -26.65 67.54 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.655 -1.64 . . . . 0.0 111.433 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.244 -3.987 0 CA-C-N 121.914 2.143 . . . . 0.0 115.739 167.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 . . . . . 0 CA--C 1.581 2.153 0 CA-C-O 125.065 2.364 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 p -75.86 -38.69 57.69 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 126.386 1.875 . . . . 0.0 112.262 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -62.0 -27.19 68.69 Favored 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 163.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.21 -39.09 86.26 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 125.774 1.922 . . . . 0.0 111.914 169.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.12 -24.28 66.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 114.824 -2.513 . . . . 0.0 116.158 158.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.99 -33.43 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-N 122.939 2.609 . . . . 0.0 108.696 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.0 -44.53 72.64 Favored 'General case' 0 CA--C 1.488 -1.422 0 O-C-N 125.629 1.831 . . . . 0.0 113.52 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.05 -20.34 57.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 117.701 2.482 . . . . 0.0 117.701 163.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.99 -24.84 5.32 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 113.722 -3.037 . . . . 0.0 105.955 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.252 53.0 mtt -70.74 -27.74 64.18 Favored 'General case' 0 N--CA 1.526 3.358 1 CA-C-N 126.662 4.301 . . . . 0.0 113.068 160.44 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -64.96 -52.44 56.29 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 119.527 -1.983 . . . . 0.0 115.489 160.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.88 -27.32 68.78 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 127.705 2.402 . . . . 0.0 109.076 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.503 5.9 t80 -54.88 -51.95 64.36 Favored 'General case' 0 C--N 1.4 2.761 1 O-C-N 113.388 -5.82 . . . . 0.0 119.715 162.29 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.34 71.84 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 168.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 C--O 1.28 2.699 0 C-N-CA 127.806 2.442 . . . . 0.0 111.285 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 2.6 m -69.58 -23.42 63.54 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 116.93 -3.606 . . . . 0.0 115.04 162.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.254 54.9 t -63.54 -42.24 95.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-O 125.088 2.375 . . . . 0.0 111.433 164.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.75 -44.29 95.03 Favored Glycine 0 N--CA 1.407 -3.28 1 O-C-N 115.342 -4.599 . . . . 0.0 110.876 174.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 41.3 m -70.74 -18.56 62.78 Favored 'General case' 0 CA--C 1.464 -2.347 0 O-C-N 125.684 1.461 . . . . 0.0 111.576 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.74 -46.8 14.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 122.661 2.482 . . . . 0.0 106.907 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 mt -54.46 -51.2 51.86 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.307 0 O-C-N 117.566 -3.209 . . . . 0.0 113.758 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.68 -20.72 65.94 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 118.671 -2.518 . . . . 0.0 110.273 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.838 0 CA-C-O 118.791 -1.005 . . . . 0.0 115.002 159.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 CA--C 1.483 -1.633 0 CA-C-O 116.085 -1.912 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.28 163.97 27.33 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 124.451 1.095 . . . . 0.0 111.901 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 t -67.28 169.17 9.21 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 127.601 2.36 . . . . 0.0 112.757 164.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.2 p -77.15 150.03 35.58 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 122.614 1.197 . . . . 0.0 110.419 -164.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -65.42 56.34 0.03 OUTLIER 'General case' 0 N--CA 1.528 3.468 0 C-N-CA 125.485 1.514 . . . . 0.0 109.081 154.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.91 -6.06 0.03 OUTLIER Glycine 0 C--O 1.277 2.788 0 O-C-N 118.416 -2.677 . . . . 0.0 118.515 -161.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -69.16 158.01 35.74 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 116.926 -3.691 . . . . 0.0 115.622 169.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.97 -36.33 84.05 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 113.451 -1.704 . . . . 0.0 114.074 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -74.64 -30.3 61.57 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 123.635 2.925 . . . . 0.0 115.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -60.87 -47.66 85.34 Favored 'General case' 0 C--O 1.185 -2.327 0 C-N-CA 127.236 2.214 . . . . 0.0 111.686 172.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -59.48 -37.99 79.65 Favored 'General case' 0 C--N 1.382 2.019 0 N-CA-C 116.804 2.15 . . . . 0.0 116.804 169.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.86 -24.25 64.33 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 118.601 2.815 . . . . 0.0 118.601 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.4 t -86.97 -36.04 18.51 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 116.088 -1.91 . . . . 0.0 108.227 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -37.31 87.13 Favored 'General case' 0 N--CA 1.529 3.497 0 O-C-N 126.798 2.562 . . . . 0.0 108.783 163.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -66.99 -39.08 87.05 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 120.817 1.644 . . . . 0.0 108.998 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.57 95.51 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 116.765 -3.709 . . . . 0.0 112.341 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.7 -36.64 76.22 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.202 0 C-N-CA 125.665 1.586 . . . . 0.0 110.952 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.38 -41.35 80.67 Favored 'General case' 0 C--O 1.252 1.203 0 C-N-CA 126.696 1.998 . . . . 0.0 114.485 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -64.76 -46.8 80.63 Favored 'General case' 1 N--CA 1.581 6.124 0 CA-C-N 114.498 -1.228 . . . . 0.0 111.953 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.85 76.13 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 166.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 tp -65.49 -39.14 91.54 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 119.533 1.061 . . . . 0.0 108.559 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -65.68 -30.53 71.23 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 118.127 -2.858 . . . . 0.0 115.768 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.06 67.35 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 130.412 3.485 . . . . 0.0 116.208 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.279 53.0 m -64.02 -41.26 97.49 Favored 'General case' 0 N--CA 1.509 2.518 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.28 -61.15 1.91 Allowed 'General case' 0 N--CA 1.473 0.724 0 O-C-N 116.342 -3.974 . . . . 0.0 112.77 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -52.19 -50.25 62.26 Favored 'General case' 0 C--N 1.292 -1.923 1 CA-C-N 127.444 4.656 . . . . 0.0 112.551 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.322 55.5 p -56.23 -34.69 66.57 Favored 'General case' 0 CA--C 1.57 1.722 0 O-C-N 117.93 -2.981 . . . . 0.0 115.957 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -72.68 -54.47 8.91 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 124.24 1.016 . . . . 0.0 111.878 168.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -25.82 46.64 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 127.371 2.268 . . . . 0.0 116.4 -175.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.5 -8.92 57.98 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 118.422 -2.674 . . . . 0.0 115.576 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . 0.451 97.2 m 61.92 44.22 8.53 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 166.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 137.02 96.98 Favored Pre-proline 0 CA--C 1.485 -1.544 0 O-C-N 119.468 -2.02 . . . . 0.0 107.675 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -64.44 142.98 80.85 Favored 'Trans proline' 0 N--CA 1.507 2.283 0 O-C-N 124.542 1.812 . . . . 0.0 111.544 171.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.88 164.85 46.91 Favored Glycine 0 CA--C 1.552 2.356 0 O-C-N 119.193 -2.192 . . . . 0.0 113.812 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.46 140.45 82.03 Favored 'Trans proline' 0 CA--C 1.509 -0.734 0 N-CA-C 121.836 3.744 . . . . 0.0 121.836 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.11 40.36 8.04 Favored Glycine 0 CA--C 1.559 2.828 0 CA-C-N 114.38 -1.282 . . . . 0.0 113.961 -168.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.7 tp -78.71 -37.56 41.22 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-O 118.862 -0.59 . . . . 0.0 112.243 169.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.22 175.64 32.24 Favored Glycine 0 C--N 1.364 2.104 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 161.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -60.63 133.43 48.42 Favored 'Trans proline' 0 C--N 1.292 -2.414 0 C-N-CA 121.959 1.773 . . . . 0.0 111.436 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.364 16.0 p30 -68.35 -29.28 67.98 Favored 'General case' 0 N--CA 1.532 3.655 0 O-C-N 118.739 -2.476 . . . . 0.0 114.777 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -70.96 7.86 1.07 Allowed 'General case' 0 CA--C 1.584 2.28 0 CA-C-O 115.306 -2.283 . . . . 0.0 116.12 158.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.66 88.07 0.23 Allowed 'General case' 0 C--N 1.38 1.911 0 CA-C-N 124.748 3.431 . . . . 0.0 117.653 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -64.21 151.17 44.23 Favored 'General case' 0 N--CA 1.522 3.164 0 O-C-N 119.542 -1.974 . . . . 0.0 111.846 -167.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -34.17 140.55 0.06 Allowed 'General case' 0 N--CA 1.527 3.423 0 O-C-N 116.836 -3.665 . . . . 0.0 114.346 153.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -124.1 178.41 5.33 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 170.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.292 46.8 ttt-85 -102.19 172.05 7.12 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 128.289 2.636 . . . . 0.0 110.029 167.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -63.56 162.8 12.21 Favored 'General case' 0 C--N 1.402 2.87 0 O-C-N 117.199 -3.438 . . . . 0.0 115.385 160.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.7 142.6 0.83 Allowed 'General case' 0 CA--C 1.592 2.596 0 C-N-CA 126.792 2.037 . . . . 0.0 113.896 154.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 t -148.18 76.33 1.37 Allowed 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 126.819 2.047 . . . . 0.0 109.114 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.89 151.58 93.05 Favored Pre-proline 0 N--CA 1.513 2.702 0 C-N-CA 129.257 3.023 . . . . 0.0 112.02 -164.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . 0.318 72.1 Cg_exo -43.53 144.83 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.407 0 N-CA-C 119.492 2.843 . . . . 0.0 119.492 -171.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.1 177.5 26.4 Favored Glycine 0 C--N 1.367 2.292 0 CA-C-O 125.566 2.759 . . . . 0.0 112.205 168.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -67.07 140.28 57.62 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-N 112.125 -2.037 . . . . 0.0 112.847 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.19 178.42 7.57 Favored 'General case' 0 C--O 1.186 -2.252 1 C-N-CA 131.748 4.019 . . . . 0.0 104.629 172.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -50.0 -52.63 32.38 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 129.582 3.153 . . . . 0.0 111.954 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -68.0 -36.06 79.36 Favored 'General case' 0 C--O 1.203 -1.387 0 O-C-N 126.438 2.336 . . . . 0.0 112.169 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.5 p -80.95 -22.69 39.39 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 117.441 2.385 . . . . 0.0 117.441 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.4 ' HA ' ' HB ' ' A' ' 61' ' ' ILE 0.275 29.6 t80 -57.08 -40.44 76.92 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 130.788 3.635 . . . . 0.0 120.801 148.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 75.3 mtm -82.65 -34.58 27.42 Favored 'General case' 0 CA--C 1.608 3.203 0 O-C-N 119.983 -1.698 . . . . 0.0 109.546 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -57.26 -29.39 63.79 Favored 'General case' 0 N--CA 1.428 -1.528 0 O-C-N 117.118 -3.488 . . . . 0.0 114.707 158.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' HA ' ' HB ' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -74.69 -32.42 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.513 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 172.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.26 -37.51 83.61 Favored 'General case' 0 CA--C 1.592 2.56 0 CA-C-O 124.243 1.973 . . . . 0.0 114.45 166.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -74.05 -20.84 60.16 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 164.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' HA ' ' A' ' 61' ' ' ILE . 2.5 t -72.04 -44.09 66.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 C-N-CA 123.901 0.881 . . . . 0.0 109.155 167.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.6 ttp -56.44 -33.84 66.25 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 118.803 -2.436 . . . . 0.0 113.356 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.279 19.6 t80 -66.88 -52.12 47.3 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 116.445 -3.909 . . . . 0.0 116.879 167.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.53 -28.86 70.14 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 114.361 -2.733 . . . . 0.0 105.578 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.369 6.1 t80 -62.0 -48.67 79.3 Favored 'General case' 0 C--O 1.246 0.886 1 CA-C-N 126.349 4.159 . . . . 0.0 118.381 166.831 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.71 68.72 Favored 'General case' 0 CA--C 1.595 2.709 0 CA-C-N 122.119 2.236 . . . . 0.0 113.807 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 t -80.14 -27.99 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.829 0 O-C-N 119.509 -1.994 . . . . 0.0 110.031 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 m -62.27 -25.49 67.87 Favored 'General case' 0 C--O 1.196 -1.744 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 167.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.28 57.5 t -64.56 -40.02 87.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.063 0 O-C-N 124.5 1.125 . . . . 0.0 111.539 167.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.29 -49.63 72.62 Favored Glycine 1 CA--C 1.626 7.004 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 m -71.06 -23.86 62.22 Favored 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 127.686 2.394 . . . . 0.0 105.479 -170.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.94 -53.0 29.67 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 125.579 3.809 . . . . 0.0 114.717 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.317 10.2 mt -56.48 -41.92 73.86 Favored 'Isoleucine or valine' 0 C--N 1.381 1.948 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.1 tp -78.88 -31.79 45.62 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.269 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -35.51 -55.31 1.01 Allowed Glycine 0 CA--C 1.547 2.091 0 N-CA-C 117.884 1.914 . . . . 0.0 117.884 153.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.257 24.6 m-85 -59.29 -50.86 72.35 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 118.516 2.784 . . . . 0.0 118.516 163.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.285 87.5 m -63.57 -36.98 85.6 Favored 'General case' 0 N--CA 1.413 -2.298 0 CA-C-O 117.479 -1.248 . . . . 0.0 114.026 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -128.28 -33.97 2.11 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 120.057 3.354 . . . . 0.0 120.057 -169.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -82.22 -40.19 22.01 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-O 114.199 -2.81 . . . . 0.0 109.894 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . 0.258 42.3 ttt85 -67.05 116.36 7.78 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 126.231 2.207 . . . . 0.0 110.3 169.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.265 30.8 mtpp -114.1 57.27 0.7 Allowed 'General case' 0 N--CA 1.539 3.989 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 176.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.2 t -99.15 128.26 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -73.38 147.77 44.02 Favored 'General case' 0 C--O 1.291 3.26 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -50.28 153.43 1.49 Allowed 'General case' 0 CA--C 1.598 2.806 0 CA-C-N 120.567 1.531 . . . . 0.0 114.419 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . 0.29 59.9 mtm180 -74.24 -41.8 60.73 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.855 1.662 . . . . 0.0 114.305 162.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.4 p -159.97 156.3 26.9 Favored 'General case' 0 C--O 1.192 -1.929 1 C-N-CA 131.909 4.084 . . . . 0.0 113.833 -170.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.336 0.0 OUTLIER -67.17 142.47 97.01 Favored Pre-proline 0 N--CA 1.505 2.303 0 N-CA-C 121.793 3.997 . . . . 0.0 121.793 -174.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -53.4 -27.49 39.82 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 N-CA-C 118.237 2.361 . . . . 0.0 118.237 -169.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -95.25 -35.18 11.92 Favored 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 126.002 1.721 . . . . 0.0 115.341 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -61.72 -38.01 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 130.3 3.44 . . . . 0.0 107.605 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.261 13.4 p -69.94 -20.24 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 123.254 2.752 . . . . 0.0 112.579 -174.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -92.53 10.07 31.85 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 118.216 2.673 . . . . 0.0 118.216 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.61 116.8 7.89 Favored 'Isoleucine or valine' 0 C--O 1.262 1.746 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -60.12 -29.67 68.77 Favored 'General case' 0 C--O 1.195 -1.807 0 O-C-N 125.896 1.997 . . . . 0.0 116.28 -163.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.47 21.12 1.23 Allowed 'General case' 0 C--N 1.408 3.146 1 O-C-N 114.884 -4.885 . . . . 0.0 112.283 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -150.84 161.19 43.15 Favored 'General case' 0 C--O 1.247 0.936 0 O-C-N 118.168 -2.832 . . . . 0.0 110.676 161.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.68 135.43 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 CA-C-N 111.831 -2.44 . . . . 0.0 108.509 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 129.1 37.17 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 117.913 -2.992 . . . . 0.0 110.58 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.5 ptp -133.05 92.77 3.07 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -171.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.427 -1.595 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 171.182 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -155.49 123.24 5.67 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.864 1.666 . . . . 0.0 115.369 172.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.263 5.0 t -137.95 -21.31 1.1 Allowed 'General case' 0 C--O 1.264 1.82 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 157.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER -76.34 62.55 1.82 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 116.675 -1.631 . . . . 0.0 114.366 -168.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -90.42 149.85 22.08 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -151.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.78 25.23 68.91 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 126.287 1.899 . . . . 0.0 115.222 167.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -73.42 147.86 43.83 Favored 'General case' 0 C--N 1.398 2.688 0 N-CA-C 120.098 3.37 . . . . 0.0 120.098 -164.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.65 -28.1 69.14 Favored 'General case' 0 CA--C 1.454 -2.725 0 CA-C-N 123.863 3.029 . . . . 0.0 116.019 168.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -68.64 -26.85 65.54 Favored 'General case' 0 C--N 1.289 -2.027 0 C-N-CA 126.776 2.03 . . . . 0.0 112.216 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -83.68 -36.64 23.6 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 117.772 -3.08 . . . . 0.0 107.915 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.312 8.9 t80 -52.84 -43.56 66.12 Favored 'General case' 0 CA--C 1.621 3.674 0 CA-C-N 122.359 2.345 . . . . 0.0 115.19 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.24 -22.85 63.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.4 t -78.47 -46.64 19.2 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 117.102 -3.499 . . . . 0.0 110.975 170.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HA ' HG12 ' A' ' 17' ' ' VAL . 35.1 tp -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.554 1.124 1 O-C-N 115.976 -4.202 . . . . 0.0 117.755 167.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -43.85 78.39 Favored 'General case' 0 CA--C 1.489 -1.374 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.375 170.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.04 89.59 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 14' ' ' LEU . 4.7 p -75.46 -28.06 19.7 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 116.168 -1.872 . . . . 0.0 111.428 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 mt -82.43 -28.67 31.2 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 122.476 2.398 . . . . 0.0 111.416 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -52.63 -38.75 60.84 Favored 'General case' 0 N--CA 1.516 2.838 0 CA-C-O 126.103 2.859 . . . . 0.0 116.033 163.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -34.24 20.93 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 111.326 -2.67 . . . . 0.0 109.414 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.53 -49.64 70.48 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 116.891 -1.528 . . . . 0.0 108.044 173.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.291 52.1 m-20 -47.67 -31.89 5.11 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.942 2.497 . . . . 0.0 117.424 166.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -45.77 14.45 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 117.581 -3.199 . . . . 0.0 110.141 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -24.31 64.71 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.286 54.2 tp -70.61 -44.0 68.16 Favored 'General case' 0 N--CA 1.428 -1.57 0 C-N-CA 123.895 0.878 . . . . 0.0 111.158 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -65.2 -38.08 89.34 Favored 'General case' 0 C--O 1.193 -1.875 0 C-N-CA 125.146 1.378 . . . . 0.0 111.292 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.252 62.1 p -76.45 -24.71 53.9 Favored 'General case' 0 C--O 1.269 2.124 0 C-N-CA 116.668 -2.013 . . . . 0.0 112.955 170.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -66.49 -44.51 82.43 Favored 'General case' 0 N--CA 1.427 -1.58 0 C-N-CA 127.429 2.292 . . . . 0.0 115.887 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.7 mt -62.65 -5.66 2.87 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 111.488 -2.596 . . . . 0.0 114.978 164.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -112.15 -23.58 10.35 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 118.326 2.713 . . . . 0.0 118.326 165.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.7 t -167.53 110.79 0.66 Allowed 'General case' 0 CA--C 1.467 -2.215 1 O-C-N 116.043 -4.161 . . . . 0.0 110.611 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 27.5 ttt85 -83.09 139.35 42.44 Favored Pre-proline 0 CA--C 1.585 2.323 0 C-N-CA 128.03 2.532 . . . . 0.0 105.341 -166.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 92.4 Cg_exo -63.37 157.49 50.08 Favored 'Trans proline' 0 CA--C 1.567 2.159 0 C-N-CA 124.678 3.585 . . . . 0.0 119.846 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -82.14 176.94 53.83 Favored Glycine 1 N--CA 1.532 5.05 0 CA-C-N 114.268 -1.333 . . . . 0.0 113.418 163.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.41 133.96 18.24 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 C-N-CA 123.192 2.595 . . . . 0.0 114.235 167.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.32 -151.35 16.92 Favored Glycine 0 C--O 1.178 -3.357 0 O-C-N 118.03 -2.919 . . . . 0.0 117.372 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -77.32 136.81 38.49 Favored 'General case' 0 C--N 1.281 -2.4 0 C-N-CA 126.506 1.923 . . . . 0.0 110.925 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.73 -173.14 19.9 Favored Glycine 0 CA--C 1.478 -2.221 1 C-N-CA 130.772 4.034 . . . . 0.0 109.765 -166.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -64.24 158.57 47.85 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 O-C-N 117.598 -1.843 . . . . 0.0 112.647 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.302 5.9 p30 -79.42 -6.71 57.46 Favored 'General case' 0 CA--C 1.497 -1.063 1 N-CA-C 123.162 4.505 . . . . 0.0 123.162 -162.215 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -70.9 -26.3 63.16 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 172.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.262 73.2 mm-40 -59.33 154.86 15.72 Favored 'General case' 0 CA--C 1.597 2.778 0 C-N-CA 124.97 1.308 . . . . 0.0 108.307 169.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.298 1.2 m -92.88 113.22 25.43 Favored 'General case' 0 C--O 1.278 2.591 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -141.1 139.64 34.03 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 127.64 3.087 . . . . 0.0 109.981 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.15 129.24 39.33 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 117.825 -3.047 . . . . 0.0 110.054 165.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -143.26 166.2 25.38 Favored 'General case' 1 N--CA 1.54 4.037 0 C-N-CA 130.619 3.568 . . . . 0.0 114.933 -172.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -52.05 144.41 12.12 Favored 'General case' 0 C--O 1.197 -1.681 0 CA-C-O 125.788 2.708 . . . . 0.0 114.633 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . 0.263 . . -73.08 -38.67 66.34 Favored 'General case' 0 CA--C 1.56 1.347 0 O-C-N 117.958 -2.964 . . . . 0.0 110.189 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.5 m -79.37 31.26 0.22 Allowed 'General case' 0 C--N 1.386 2.167 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 -172.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.79 159.0 42.36 Favored Pre-proline 0 CA--C 1.588 2.41 0 O-C-N 119.526 -1.984 . . . . 0.0 108.361 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.42 136.63 60.37 Favored 'Trans proline' 0 N--CA 1.437 -1.812 0 N-CA-C 117.42 2.046 . . . . 0.0 117.42 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.62 168.71 54.54 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.372 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . 0.466 12.2 tpp180 -45.12 -38.36 5.07 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 119.887 3.292 . . . . 0.0 119.887 175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.36 129.78 35.01 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 121.191 3.774 . . . . 0.0 121.191 -172.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.69 -24.2 66.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.278 27.6 t30 -80.29 -47.93 13.79 Favored 'General case' 0 CA--C 1.473 -2.004 0 O-C-N 125.813 1.946 . . . . 0.0 112.513 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 p -76.96 -34.58 57.57 Favored 'General case' 0 C--O 1.174 -2.92 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.627 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.31 25.1 t80 -47.3 -45.81 24.52 Favored 'General case' 0 N--CA 1.41 -2.437 0 C-N-CA 127.422 2.289 . . . . 0.0 115.379 158.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 53.2 ttp -64.21 -48.83 74.34 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 120.219 -1.55 . . . . 0.0 110.861 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.313 65.2 m-85 -51.27 -20.89 1.82 Allowed 'General case' 0 CA--C 1.566 1.583 0 O-C-N 118.314 -2.741 . . . . 0.0 118.018 164.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.283 1.2 mp -78.61 -38.77 22.43 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.942 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.74 -33.99 73.21 Favored 'General case' 0 CA--C 1.556 1.199 0 O-C-N 120.861 -1.149 . . . . 0.0 110.935 170.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -68.57 -18.2 64.29 Favored 'General case' 0 N--CA 1.411 -2.414 0 O-C-N 116.781 -3.7 . . . . 0.0 117.399 162.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.31 -31.69 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 C-N-CA 126.329 1.852 . . . . 0.0 111.847 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 35.4 ttm -57.37 -45.96 83.87 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 130.071 3.348 . . . . 0.0 109.009 161.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.01 -36.93 84.62 Favored 'General case' 0 C--O 1.172 -2.986 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 67.5 tp -66.27 -28.77 68.97 Favored 'General case' 0 N--CA 1.514 2.77 0 O-C-N 118.077 -2.89 . . . . 0.0 113.135 167.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.82 -53.24 60.13 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 116.239 -1.839 . . . . 0.0 108.548 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.21 70.99 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 123.524 2.874 . . . . 0.0 113.525 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -75.48 -34.35 29.57 Favored 'Isoleucine or valine' 0 C--O 1.261 1.684 0 C-N-CA 126.866 2.066 . . . . 0.0 112.273 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 53.6 m -74.04 -24.8 59.59 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 117.173 -3.455 . . . . 0.0 111.744 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.5 -41.71 93.64 Favored 'Isoleucine or valine' 0 C--O 1.259 1.591 0 CA-C-N 124.053 3.115 . . . . 0.0 107.291 169.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.76 -35.09 26.05 Favored Glycine 0 N--CA 1.482 1.713 0 O-C-N 120.359 -1.463 . . . . 0.0 114.107 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 43.2 m -54.47 -37.94 65.83 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 155.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.255 17.4 mt -69.41 -44.23 71.83 Favored 'General case' 0 N--CA 1.512 2.627 0 O-C-N 119.32 -2.113 . . . . 0.0 109.433 -176.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.53 -57.6 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.079 0 O-C-N 118.96 -2.337 . . . . 0.0 116.346 165.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.55 -24.27 65.51 Favored 'General case' 0 CA--C 1.606 3.131 0 O-C-N 119.292 -2.13 . . . . 0.0 115.016 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.13 -45.45 95.29 Favored Glycine 0 CA--C 1.57 3.483 0 O-C-N 120.982 -1.074 . . . . 0.0 113.054 161.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.52 -30.32 66.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 117.246 2.313 . . . . 0.0 117.246 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.273 7.4 p -84.89 -46.52 11.22 Favored 'General case' 0 CA--C 1.482 -1.664 0 O-C-N 118.488 -2.632 . . . . 0.0 114.426 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -107.44 -51.41 2.92 Favored 'General case' 0 CA--C 1.477 -1.85 1 O-C-N 115.78 -4.325 . . . . 0.0 114.724 -166.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.3 p -85.72 -44.01 12.89 Favored 'General case' 0 N--CA 1.417 -2.081 0 CA-C-N 120.327 1.422 . . . . 0.0 110.296 -166.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -70.1 -33.53 71.98 Favored 'General case' 0 C--N 1.381 1.953 0 O-C-N 118.7 -2.5 . . . . 0.0 110.636 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -73.88 17.47 0.17 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 130.737 3.615 . . . . 0.0 114.699 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.295 3.6 m -85.85 143.68 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 C-N-CA 127.472 2.309 . . . . 0.0 115.464 176.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -56.84 115.17 2.43 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.136 1.374 . . . . 0.0 111.314 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -57.75 149.18 22.73 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 119.956 -1.715 . . . . 0.0 111.808 163.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttt-85 -63.47 -43.29 97.77 Favored 'General case' 0 C--O 1.289 3.175 0 O-C-N 119.981 -1.699 . . . . 0.0 107.988 163.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -67.64 137.82 55.89 Favored 'General case' 0 N--CA 1.518 2.956 0 C-N-CA 127.713 2.405 . . . . 0.0 117.118 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 91' ' ' PRO 0.281 2.7 t70 -71.35 116.8 50.89 Favored Pre-proline 0 N--CA 1.507 2.382 0 CA-C-O 114.453 -2.689 . . . . 0.0 116.978 -170.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 90' ' ' ASP . 13.4 Cg_exo -65.27 -24.6 57.94 Favored 'Trans proline' 0 N--CA 1.428 -2.336 0 C-N-CA 121.736 1.624 . . . . 0.0 114.39 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.64 -39.27 90.72 Favored 'General case' 0 C--O 1.296 3.513 0 O-C-N 119.121 -2.237 . . . . 0.0 112.62 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -29.68 21.59 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-N 121.025 1.738 . . . . 0.0 113.698 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.73 -29.9 14.67 Favored 'Isoleucine or valine' 0 C--O 1.275 2.444 0 C-N-CA 118.4 -1.32 . . . . 0.0 110.022 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.31 10.4 t80 -67.21 -40.63 86.47 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.848 2.536 . . . . 0.0 117.848 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.6 pt -73.55 141.82 15.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.324 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -74.8 -57.13 4.11 Favored 'General case' 0 CA--C 1.47 -2.126 0 N-CA-C 118.952 2.945 . . . . 0.0 118.952 -155.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.35 49.48 1.44 Allowed 'General case' 0 CA--C 1.572 1.798 0 CA-C-O 123.971 1.843 . . . . 0.0 112.161 166.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -69.38 166.24 19.06 Favored 'General case' 0 C--N 1.345 0.378 0 O-C-N 117.342 -3.349 . . . . 0.0 113.911 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 m -78.68 135.68 25.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 127.076 3.322 . . . . 0.0 110.517 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.4 m -68.46 173.05 5.3 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 129.727 3.211 . . . . 0.0 110.23 174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.5 ptm -64.19 144.59 57.01 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 113.84 -1.527 . . . . 0.0 114.873 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 CA--C 1.595 2.699 1 CA-C-O 111.436 -4.126 . . . . 0.0 105.528 172.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 114.264 -2.779 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -90.75 153.76 20.03 Favored 'General case' 0 C--O 1.262 1.756 0 O-C-N 126.253 2.221 . . . . 0.0 112.164 168.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.287 0.7 OUTLIER -122.15 -8.76 8.72 Favored 'General case' 0 N--CA 1.408 -2.572 0 CA-C-O 126.374 2.988 . . . . 0.0 116.866 -176.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.297 0.2 OUTLIER -42.16 134.33 2.84 Favored 'General case' 0 N--CA 1.518 2.946 1 O-C-N 115.598 -4.439 . . . . 0.0 116.491 169.71 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -67.85 143.23 55.85 Favored 'General case' 0 CA--C 1.594 2.661 0 O-C-N 117.911 -2.993 . . . . 0.0 108.731 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.77 -166.95 23.49 Favored Glycine 1 N--CA 1.536 5.358 0 CA-C-O 124.058 1.921 . . . . 0.0 109.015 170.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 p -53.69 159.86 1.48 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 111.277 -2.461 . . . . 0.0 116.107 173.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -45.53 -50.03 13.28 Favored 'General case' 0 CA--C 1.563 1.478 0 O-C-N 127.423 2.952 . . . . 0.0 113.1 161.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -24.65 61.76 Favored 'General case' 0 N--CA 1.515 2.779 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.353 26.7 t-105 -52.63 -54.65 30.27 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.479 -1.288 . . . . 0.0 113.889 158.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -63.78 -25.05 68.01 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.503 -1.373 . . . . 0.0 112.113 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.367 7.9 tp10 -66.92 -30.66 70.87 Favored 'General case' 0 C--O 1.182 -2.459 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 168.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -72.18 -44.87 62.35 Favored 'General case' 0 N--CA 1.526 3.357 0 CA-C-N 109.464 -3.516 . . . . 0.0 108.667 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 mt -69.45 -14.32 62.82 Favored 'General case' 0 C--O 1.188 -2.152 0 CA-C-O 115.403 -2.236 . . . . 0.0 114.459 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -82.48 -35.41 27.46 Favored 'General case' 0 C--O 1.187 -2.197 0 O-C-N 124.983 1.427 . . . . 0.0 113.638 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.7 94.18 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 120.042 -1.661 . . . . 0.0 113.766 170.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.384 0.3 OUTLIER -65.25 -42.27 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.68 -50.09 55.66 Favored 'General case' 0 N--CA 1.387 -3.617 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 173.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.68 -38.75 88.96 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 112.294 -2.23 . . . . 0.0 111.532 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.72 65.14 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 126.632 2.458 . . . . 0.0 114.616 174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.83 -36.75 82.07 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 118.808 -1.157 . . . . 0.0 113.928 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.73 -43.84 75.08 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 125.045 1.338 . . . . 0.0 111.026 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.6 84.18 Favored 'General case' 0 N--CA 1.524 3.247 0 C-N-CA 119.757 -0.777 . . . . 0.0 112.936 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -51.78 -32.14 29.87 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.949 2.656 . . . . 0.0 114.607 162.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.9 tp -81.61 -42.38 20.13 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 121.742 2.065 . . . . 0.0 111.315 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -62.24 -13.79 31.63 Favored 'General case' 0 N--CA 1.535 3.813 0 O-C-N 121.146 -0.971 . . . . 0.0 111.935 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.3 t -76.32 -51.64 11.54 Favored 'General case' 0 CA--C 1.567 1.606 0 O-C-N 120.558 -1.339 . . . . 0.0 110.905 162.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -66.81 -30.11 70.22 Favored 'General case' 0 C--O 1.2 -1.533 0 CA-C-O 115.035 -2.412 . . . . 0.0 109.692 -174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.06 -27.59 60.04 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 123.117 2.69 . . . . 0.0 112.624 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.252 3.2 tm? -79.06 -29.45 43.45 Favored 'General case' 0 C--O 1.188 -2.141 0 O-C-N 119.654 -1.904 . . . . 0.0 106.105 173.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.6 m -82.94 161.28 21.87 Favored 'General case' 0 N--CA 1.403 -2.812 0 C-N-CA 126.023 1.729 . . . . 0.0 112.716 176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.404 11.1 ptm180 -79.53 136.52 55.86 Favored Pre-proline 0 C--O 1.273 2.291 0 C-N-CA 127.972 2.509 . . . . 0.0 109.93 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.47 174.12 12.28 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 121.144 1.229 . . . . 0.0 114.827 -172.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.66 -172.84 25.34 Favored Glycine 1 CA--C 1.579 4.056 0 C-N-CA 127.394 2.426 . . . . 0.0 113.242 -163.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 53' ' ' ARG 0.325 26.7 Cg_exo -56.93 159.2 15.09 Favored 'Trans proline' 0 N--CA 1.503 2.081 1 C-N-CA 126.491 4.794 . . . . 0.0 117.335 -176.265 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.32 177.24 22.0 Favored Glycine 0 CA--C 1.565 3.208 1 C-N-CA 131.209 4.243 . . . . 0.0 112.622 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 tp -97.85 -10.01 25.42 Favored 'General case' 0 CA--C 1.566 1.596 0 O-C-N 121.377 -1.072 . . . . 0.0 110.904 -169.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.61 155.22 21.72 Favored Glycine 0 CA--C 1.56 2.892 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 170.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -77.45 143.79 22.17 Favored 'Trans proline' 0 C--O 1.278 2.504 0 CA-C-N 123.174 3.487 . . . . 0.0 108.095 -168.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.274 58.1 m-20 -60.17 -15.81 27.24 Favored 'General case' 0 N--CA 1.538 3.951 0 CA-C-N 112.362 -2.199 . . . . 0.0 116.782 -161.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -114.69 5.2 15.27 Favored 'General case' 0 C--O 1.274 2.361 0 O-C-N 121.805 -0.56 . . . . 0.0 111.339 -170.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.71 117.17 8.47 Favored 'General case' 0 C--N 1.264 -3.113 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -170.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.38 1.4 p -80.74 -26.49 37.31 Favored 'General case' 0 C--N 1.273 -2.734 0 C-N-CA 129.467 3.107 . . . . 0.0 114.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.15 154.36 29.37 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.608 165.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -90.28 76.69 6.77 Favored 'General case' 1 N--CA 1.362 -4.863 0 C-N-CA 128.244 2.618 . . . . 0.0 114.859 170.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -78.57 152.23 31.98 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 116.816 -3.677 . . . . 0.0 112.511 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -119.74 110.14 16.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 124.842 1.338 . . . . 0.0 113.419 -165.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 170.28 3.81 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 126.035 1.734 . . . . 0.0 115.464 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.3 p -136.0 -68.57 0.5 Allowed 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 mt -80.11 155.31 74.9 Favored Pre-proline 0 C--N 1.272 -2.779 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -52.81 151.99 18.44 Favored 'Trans proline' 0 N--CA 1.436 -1.868 0 N-CA-C 118.875 2.606 . . . . 0.0 118.875 169.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 170.37 13.06 Favored Glycine 0 C--O 1.263 1.926 0 C-N-CA 130.135 3.731 . . . . 0.0 113.02 -171.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' PRO . 12.5 ttt180 -81.84 149.67 28.2 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 -175.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.66 117.01 5.31 Favored 'General case' 0 N--CA 1.404 -2.75 0 C-N-CA 129.384 3.074 . . . . 0.0 113.657 -169.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -64.71 -29.61 70.6 Favored 'General case' 0 C--N 1.368 1.4 1 O-C-N 111.371 -7.081 . . . . 0.0 120.454 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -61.38 -37.8 84.72 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 126.699 2.499 . . . . 0.0 113.297 166.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -74.14 -28.62 61.41 Favored 'General case' 0 CA--C 1.464 -2.351 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.397 25.1 m-85 -69.52 -27.83 65.52 Favored 'General case' 0 C--O 1.176 -2.8 0 N-CA-C 119.873 3.286 . . . . 0.0 119.873 161.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mmm -71.63 -38.55 70.75 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.449 -2.215 . . . . 0.0 112.534 162.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.9 -27.8 53.73 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 122.583 2.447 . . . . 0.0 116.844 160.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mt -73.69 -25.35 20.63 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.209 0 CA-C-O 117.532 -1.223 . . . . 0.0 112.508 173.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 62' ' ' LEU . 61.7 mt -63.3 -43.9 96.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 120.647 1.567 . . . . 0.0 109.834 163.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.267 36.3 t80 -63.82 -22.12 66.76 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 127.313 2.883 . . . . 0.0 112.944 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.395 0.4 OUTLIER -94.17 -18.56 6.85 Favored 'Isoleucine or valine' 0 C--N 1.372 1.545 0 O-C-N 117.647 -3.158 . . . . 0.0 116.454 178.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.282 19.5 mtm -66.36 -43.73 85.17 Favored 'General case' 0 CA--C 1.602 2.96 0 O-C-N 120.117 -1.615 . . . . 0.0 111.254 154.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -59.15 -49.94 75.95 Favored 'General case' 0 CA--C 1.592 2.561 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.81 -38.4 81.85 Favored 'General case' 0 C--N 1.409 3.195 0 O-C-N 118.352 -2.717 . . . . 0.0 111.785 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.327 63.3 t80 -47.73 -51.91 20.43 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 117.613 2.449 . . . . 0.0 117.613 172.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.44 -36.17 75.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 125.548 1.78 . . . . 0.0 112.203 172.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.01 -37.79 77.6 Favored 'Isoleucine or valine' 0 C--N 1.387 2.233 0 C-N-CA 127.406 2.282 . . . . 0.0 112.465 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -73.61 -15.47 61.27 Favored 'General case' 0 CA--C 1.485 -1.544 0 N-CA-C 121.305 3.817 . . . . 0.0 121.305 164.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.36 -49.93 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 164.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.74 -32.46 36.98 Favored Glycine 0 CA--C 1.488 -1.609 0 CA-C-N 119.735 1.152 . . . . 0.0 110.38 -168.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.1 t -61.39 -31.25 71.16 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 167.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.86 -52.5 42.79 Favored 'General case' 0 C--N 1.386 2.154 0 O-C-N 119.026 -2.296 . . . . 0.0 110.362 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.9 mt -56.79 -49.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 CA-C-O 121.697 0.761 . . . . 0.0 111.75 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.8 -38.57 64.66 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 161.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.19 8.3 Favored Glycine 0 CA--C 1.544 1.901 0 CA-C-O 118.719 -1.045 . . . . 0.0 115.508 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -56.76 -42.11 78.76 Favored 'General case' 0 C--N 1.381 1.951 0 O-C-N 128.386 3.051 . . . . 0.0 117.815 169.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -72.52 -47.67 46.54 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 125.856 1.972 . . . . 0.0 113.095 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.52 -41.99 0.5 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.34 -22.87 47.37 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 119.82 3.267 . . . . 0.0 119.82 -157.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -119.8 130.04 54.73 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 117.447 -1.263 . . . . 0.0 113.156 169.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 84' ' ' LYS . 2.2 tppp? 53.14 53.33 12.08 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -51.47 137.62 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.73 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.9 -37.47 70.09 Favored 'General case' 0 C--O 1.276 2.49 0 C-N-CA 128.445 2.698 . . . . 0.0 116.487 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -67.68 156.97 35.64 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 126.954 2.102 . . . . 0.0 108.663 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.9 ptt-85 -137.95 31.42 2.46 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 118.342 -2.724 . . . . 0.0 107.976 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 m -126.64 130.41 50.39 Favored 'General case' 0 CA--C 1.477 -1.832 0 O-C-N 121.62 -0.675 . . . . 0.0 109.831 -174.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.322 12.8 p30 -78.42 161.29 70.5 Favored Pre-proline 0 C--N 1.311 -1.107 0 C-N-CA 131.625 3.97 . . . . 0.0 113.06 162.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -61.48 -21.58 72.29 Favored 'Trans proline' 0 N--CA 1.488 1.153 0 C-N-CA 122.057 1.838 . . . . 0.0 115.005 168.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.31 3.3 m-85 -60.82 -37.28 81.49 Favored 'General case' 0 CA--C 1.589 2.46 0 N-CA-C 119.023 2.972 . . . . 0.0 119.023 164.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -47.22 -34.72 6.72 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 166.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.78 -29.43 47.38 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 120.639 -1.288 . . . . 0.0 114.162 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -87.73 -31.67 19.55 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 130.724 3.609 . . . . 0.0 118.508 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 tt -138.11 125.31 28.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.828 0 CA-C-O 123.935 1.826 . . . . 0.0 112.55 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -71.51 -21.61 61.89 Favored 'General case' 1 N--CA 1.548 4.426 0 CA-C-O 126.724 3.154 . . . . 0.0 112.846 -170.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -78.73 -14.02 59.51 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 117.416 -3.303 . . . . 0.0 113.0 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -55.66 137.7 48.77 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 122.684 2.493 . . . . 0.0 115.057 -174.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.1 146.91 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.345 0 O-C-N 126.638 2.461 . . . . 0.0 112.18 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 p -73.81 154.92 39.31 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 117.942 -2.974 . . . . 0.0 108.898 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.8 ttt -61.22 144.99 52.75 Favored 'General case' 0 N--CA 1.406 -2.631 0 C-N-CA 129.388 3.075 . . . . 0.0 115.829 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.19 0 O-C-N 126.042 2.088 . . . . 0.0 116.603 150.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 C--O 1.191 -1.981 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -152.7 7.12 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 130.644 3.578 . . . . 0.0 118.482 -154.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 t -164.12 166.73 20.99 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 127.498 2.319 . . . . 0.0 113.568 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.397 0.8 OUTLIER -92.92 70.56 4.66 Favored 'General case' 0 CA--C 1.475 -1.937 0 C-N-CA 130.451 3.5 . . . . 0.0 115.61 -172.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -70.67 123.34 21.66 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 113.604 -1.634 . . . . 0.0 110.864 168.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.43 -179.35 41.01 Favored Glycine 1 N--CA 1.536 5.364 0 O-C-N 117.502 -3.249 . . . . 0.0 116.215 -174.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -140.83 173.09 11.83 Favored 'General case' 0 C--O 1.274 2.365 0 O-C-N 118.644 -2.68 . . . . 0.0 114.741 173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -33.32 75.67 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-O 115.582 -2.151 . . . . 0.0 113.01 168.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 m -78.42 -32.44 48.64 Favored 'General case' 0 C--O 1.191 -2.013 0 CA-C-O 125.464 2.554 . . . . 0.0 114.543 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -61.97 -48.8 78.74 Favored 'General case' 0 C--O 1.279 2.626 0 CA-C-O 113.206 -3.283 . . . . 0.0 110.963 156.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.317 34.5 t80 -56.32 -51.4 68.38 Favored 'General case' 0 C--N 1.306 -1.315 1 CA-C-N 128.786 5.266 . . . . 0.0 115.166 174.947 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -62.1 -25.94 68.01 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.754 2.534 . . . . 0.0 116.339 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -82.68 -35.85 26.46 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 119.371 -2.081 . . . . 0.0 111.799 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 mt -67.75 -33.39 74.75 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 165.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' ND1' ' HE2' ' A' ' 19' ' ' LYS . 57.4 t-80 -61.81 -51.16 69.39 Favored 'General case' 0 N--CA 1.535 3.81 0 CA-C-O 115.848 -2.025 . . . . 0.0 108.514 162.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -58.75 6.42 Favored 'General case' 0 N--CA 1.519 2.987 0 CA-C-N 122.184 2.266 . . . . 0.0 112.677 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.322 0.3 OUTLIER -57.63 -36.45 54.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -178.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.61 -31.91 62.17 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 119.493 -2.004 . . . . 0.0 114.682 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE2' ' ND1' ' A' ' 15' ' ' HIS . 18.3 mtmt -63.18 -32.71 74.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 127.543 3.027 . . . . 0.0 114.427 166.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.25 66.78 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 124.791 1.307 . . . . 0.0 111.732 171.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.6 tp -64.0 -47.91 78.46 Favored 'General case' 0 CA--C 1.592 2.582 0 O-C-N 119.364 -2.085 . . . . 0.0 108.74 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -60.7 -27.81 68.17 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-O 123.524 1.63 . . . . 0.0 111.009 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.85 -29.95 13.93 Favored 'General case' 0 CA--C 1.595 2.692 1 O-C-N 115.784 -4.322 . . . . 0.0 109.931 -167.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.25 1.1 t -63.3 -33.9 76.51 Favored 'General case' 0 N--CA 1.499 1.977 0 CA-C-O 124.521 2.105 . . . . 0.0 110.89 161.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.51 -37.46 68.36 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 118.84 -2.413 . . . . 0.0 114.762 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -64.42 -46.83 81.55 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 113.85 -2.976 . . . . 0.0 112.003 161.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -55.1 -34.93 64.1 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 122.975 2.625 . . . . 0.0 116.394 168.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.23 -52.74 10.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.17 -23.08 67.01 Favored 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 126.153 1.781 . . . . 0.0 115.097 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.41 21.83 15.3 Favored 'General case' 0 CA--C 1.578 2.056 0 CA-C-N 119.848 1.203 . . . . 0.0 109.615 174.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.1 t -81.15 163.91 22.75 Favored 'General case' 0 C--O 1.187 -2.207 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.326 11.7 mpt_? -70.09 116.66 46.58 Favored Pre-proline 0 N--CA 1.532 3.63 0 CA-C-O 112.707 -3.52 . . . . 0.0 114.799 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -64.22 136.84 53.51 Favored 'Trans proline' 0 N--CA 1.429 -2.286 0 CA-C-N 124.135 2.512 . . . . 0.0 114.161 165.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.09 163.56 13.59 Favored Glycine 1 CA--C 1.58 4.108 0 CA-C-O 117.589 -1.673 . . . . 0.0 112.772 -164.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -66.34 -30.29 45.12 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.895 3.73 . . . . 0.0 109.327 -166.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.46 140.7 34.07 Favored Glycine 0 C--N 1.38 3.019 1 O-C-N 115.539 -4.475 . . . . 0.0 111.418 -175.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 mt -102.3 29.97 4.84 Favored 'General case' 0 C--N 1.27 -2.861 0 O-C-N 119.781 -2.011 . . . . 0.0 108.45 -163.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.36 38.53 Favored Glycine 0 CA--C 1.541 1.717 0 O-C-N 126.37 2.293 . . . . 0.0 111.604 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -55.1 147.43 53.77 Favored 'Trans proline' 0 CA--C 1.56 1.8 0 C-N-CA 124.408 3.405 . . . . 0.0 110.872 -172.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.56 2.1 p30 -55.69 -22.62 24.23 Favored 'General case' 0 CA--C 1.581 2.153 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 -166.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -91.56 4.56 52.33 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 120.861 3.652 . . . . 0.0 120.861 -171.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -145.33 167.84 21.92 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 117.034 -3.541 . . . . 0.0 110.69 -170.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -152.09 151.73 31.47 Favored 'General case' 0 N--CA 1.522 3.166 0 O-C-N 120.768 -1.208 . . . . 0.0 108.959 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -45.16 108.64 0.13 Allowed 'General case' 0 C--O 1.265 1.92 0 CA-C-N 112.963 -1.926 . . . . 0.0 116.085 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.09 130.61 42.58 Favored 'General case' 0 C--N 1.302 -1.461 2 CA-C-N 126.249 4.113 . . . . 0.0 110.064 169.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -56.09 135.05 53.05 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 112.759 -2.019 . . . . 0.0 112.077 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.265 7.4 mpt_? -110.08 172.43 6.86 Favored 'General case' 0 CA--C 1.475 -1.919 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 167.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . 0.319 . . -77.78 166.38 23.01 Favored 'General case' 0 CA--C 1.569 1.707 0 O-C-N 118.744 -2.473 . . . . 0.0 117.083 166.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -81.93 45.1 0.88 Allowed 'General case' 0 N--CA 1.519 2.992 0 CA-C-O 126.392 2.996 . . . . 0.0 117.387 -172.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD23 ' HD2' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -148.36 152.69 39.39 Favored Pre-proline 0 N--CA 1.525 3.286 0 CA-C-N 109.058 -3.701 . . . . 0.0 113.1 -165.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' HD2' HD23 ' A' ' 50' ' ' LEU . 52.9 Cg_exo -57.53 149.31 67.55 Favored 'Trans proline' 0 C--N 1.396 3.027 0 C-N-CA 124.108 3.205 . . . . 0.0 113.674 174.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.72 132.99 7.26 Favored Glycine 1 CA--C 1.59 4.767 0 C-N-CA 126.822 2.153 . . . . 0.0 113.08 -174.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -154.29 -5.37 0.16 Allowed 'General case' 0 N--CA 1.51 2.542 0 C-N-CA 127.821 2.448 . . . . 0.0 112.195 169.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -143.69 169.43 17.77 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 115.21 -2.328 . . . . 0.0 106.69 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -13.15 62.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 114.771 -2.537 . . . . 0.0 112.078 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.36 -47.36 8.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 126.142 2.151 . . . . 0.0 116.412 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.7 p -52.21 -41.73 62.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.293 1.437 . . . . 0.0 109.544 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.42 -29.28 64.71 Favored 'General case' 0 N--CA 1.51 2.53 0 O-C-N 117.729 -3.107 . . . . 0.0 116.812 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.8 tpt -67.41 -46.81 72.1 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.422 1.701 . . . . 0.0 108.421 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.89 -33.63 57.11 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.039 0.936 . . . . 0.0 108.769 172.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.55 -38.08 72.22 Favored 'Isoleucine or valine' 0 C--N 1.381 1.977 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 173.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 62' ' ' LEU . 30.4 tp -50.88 -43.76 59.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.723 -1.861 . . . . 0.0 107.797 167.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.257 0.7 OUTLIER -68.93 -23.23 64.14 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 118.673 -2.517 . . . . 0.0 116.305 169.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.35 -26.02 14.02 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.378 0 O-C-N 127.544 3.028 . . . . 0.0 115.23 175.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttp -65.86 -47.04 76.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.787 -1.195 . . . . 0.0 111.361 162.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.37 6.5 t80 -51.27 -56.66 11.81 Favored 'General case' 0 N--CA 1.533 3.712 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 164.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.36 -37.25 55.71 Favored 'General case' 0 N--CA 1.508 2.451 0 C-N-CA 125.97 1.708 . . . . 0.0 107.719 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.284 17.5 t80 -57.71 -38.76 75.82 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.28 -28.49 65.25 Favored 'General case' 0 N--CA 1.515 2.794 0 C-N-CA 116.284 -2.166 . . . . 0.0 114.227 170.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.43 -36.2 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 124.875 1.359 . . . . 0.0 112.955 171.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.7 m -68.2 -28.34 67.17 Favored 'General case' 0 CA--C 1.5 -0.968 0 O-C-N 124.808 1.318 . . . . 0.0 113.901 170.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.22 -45.43 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.247 0 O-C-N 118.392 -2.692 . . . . 0.0 111.327 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.82 -60.0 9.39 Favored Glycine 0 C--O 1.198 -2.107 0 CA-C-O 117.61 -1.661 . . . . 0.0 114.34 166.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . 0.364 6.1 m -46.09 -34.79 4.42 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 126.016 1.726 . . . . 0.0 112.587 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.67 -41.42 68.72 Favored 'General case' 0 CA--C 1.468 -2.197 0 O-C-N 118.584 -2.573 . . . . 0.0 113.708 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--O 1.271 2.233 0 O-C-N 120.43 -1.418 . . . . 0.0 108.801 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.39 -42.17 96.28 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.411 2.284 . . . . 0.0 112.387 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.18 73.44 Favored Glycine 0 N--CA 1.431 -1.652 0 CA-C-N 122.592 2.451 . . . . 0.0 110.193 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.358 9.9 m-85 -60.58 -24.73 65.68 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 121.372 2.586 . . . . 0.0 117.382 157.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.419 0.2 OUTLIER -96.1 4.08 52.81 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 118.32 2.711 . . . . 0.0 118.32 175.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -159.64 -59.57 0.06 Allowed 'General case' 0 N--CA 1.512 2.653 0 O-C-N 120.268 -1.52 . . . . 0.0 109.57 -164.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -66.0 -38.32 88.17 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . 0.283 56.3 ttt180 -57.84 128.01 34.93 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.807 2.043 . . . . 0.0 112.16 169.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.36 -59.96 2.55 Favored 'General case' 0 C--O 1.185 -2.335 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.256 1.5 m -106.62 -179.37 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 CA-C-O 117.689 -1.148 . . . . 0.0 114.087 -173.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -142.42 -176.54 4.88 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 126.237 1.815 . . . . 0.0 113.305 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -8.13 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 1 CA-C-O 108.412 -5.566 . . . . 0.0 110.706 174.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -85.16 -27.04 26.45 Favored 'General case' 0 N--CA 1.494 1.74 1 CA-C-N 126.855 4.388 . . . . 0.0 109.724 174.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.1 p -79.32 133.67 36.61 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 121.728 2.058 . . . . 0.0 116.42 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . 0.285 0.5 OUTLIER -64.5 137.93 97.29 Favored Pre-proline 0 N--CA 1.48 1.032 0 O-C-N 118.351 -2.718 . . . . 0.0 115.273 -179.236 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -63.87 -1.76 3.79 Favored 'Trans proline' 0 C--N 1.396 3.069 0 N-CA-C 122.026 3.818 . . . . 0.0 122.026 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE1' HD11 ' A' ' 96' ' ' ILE 0.316 28.1 t80 -122.8 -19.71 6.11 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 162.157 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -55.07 -38.4 68.0 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 125.072 1.349 . . . . 0.0 109.859 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.8 m -66.87 -19.14 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.586 0 O-C-N 117.07 -3.519 . . . . 0.0 116.409 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.358 62.1 m-85 -80.28 -6.31 57.69 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 127.301 2.876 . . . . 0.0 113.193 174.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.406 HD11 ' CE1' ' A' ' 92' ' ' TYR . 10.0 mm -100.41 100.67 10.85 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 N-CA-C 104.236 -2.505 . . . . 0.0 104.236 -173.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -77.54 -26.92 51.43 Favored 'General case' 0 N--CA 1.521 3.087 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -173.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -70.6 44.55 0.08 Allowed 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 129.664 3.186 . . . . 0.0 111.653 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.3 mmt-85 -145.23 133.05 21.14 Favored 'General case' 0 C--O 1.218 -0.576 1 C-N-CA 135.505 5.522 . . . . 0.0 107.473 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.95 128.46 37.4 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -45.09 138.63 3.67 Favored 'General case' 0 C--O 1.287 3.07 0 N-CA-C 119.015 2.968 . . . . 0.0 119.015 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.4 mtm -83.54 146.53 28.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 116.71 -3.744 . . . . 0.0 111.799 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.568 1.653 0 CA-C-O 124.043 1.878 . . . . 0.0 114.65 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.253 4.4 mmt . . . . . 1 N--CA 1.543 4.203 0 CA-C-O 122.461 1.124 . . . . 0.0 112.426 . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -103.65 153.41 20.66 Favored 'General case' 0 CA--C 1.581 2.167 0 C-N-CA 127.204 2.202 . . . . 0.0 110.22 174.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.7 m -61.48 140.13 58.12 Favored 'General case' 0 N--CA 1.512 2.627 0 C-N-CA 126.912 2.085 . . . . 0.0 111.698 167.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.39 163.76 38.86 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -172.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -116.94 142.14 47.32 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 126.985 2.114 . . . . 0.0 109.44 168.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.17 -156.73 7.41 Favored Glycine 0 C--O 1.267 2.2 1 CA-C-O 128.199 4.221 . . . . 0.0 111.583 177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.342 1.2 p -59.0 153.96 16.5 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 130.001 3.32 . . . . 0.0 117.344 172.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.38 -25.66 68.39 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 126.502 3.049 . . . . 0.0 115.411 172.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -80.02 -35.1 37.75 Favored 'General case' 0 CA--C 1.476 -1.901 0 O-C-N 118.863 -2.398 . . . . 0.0 108.084 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -61.62 -38.84 89.11 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 117.679 -3.138 . . . . 0.0 112.897 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.307 3.1 t80 -60.21 -41.76 93.72 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-N 123.704 2.956 . . . . 0.0 113.263 172.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.46 -11.99 58.14 Favored 'General case' 0 N--CA 1.529 3.52 0 CA-C-O 124.723 2.201 . . . . 0.0 110.523 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -79.59 -42.13 25.64 Favored 'General case' 0 C--O 1.274 2.351 0 CA-C-O 126.014 2.816 . . . . 0.0 114.626 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.87 -56.06 27.1 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 119.251 -2.156 . . . . 0.0 108.367 167.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -67.04 -19.26 65.65 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 117.517 -3.24 . . . . 0.0 116.373 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . 0.25 . . -78.03 -48.45 16.11 Favored 'General case' 0 CA--C 1.566 1.576 0 O-C-N 127.338 2.899 . . . . 0.0 115.977 166.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.336 3.0 p -64.39 -28.65 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 117.46 2.393 . . . . 0.0 117.46 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -66.5 -44.84 81.48 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.595 -1.316 . . . . 0.0 110.509 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -65.2 -32.67 74.47 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 173.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.42 -42.6 78.7 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 125.863 1.665 . . . . 0.0 113.17 164.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.62 -41.25 85.47 Favored 'General case' 0 N--CA 1.531 3.579 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.27 3.9 m-80 -67.58 -35.23 78.61 Favored 'General case' 0 N--CA 1.426 -1.651 1 C-N-CA 132.504 4.321 . . . . 0.0 112.173 176.112 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.53 -46.8 24.99 Favored 'General case' 0 CA--C 1.575 1.928 1 O-C-N 113.91 -5.494 . . . . 0.0 103.536 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.316 1.9 m -45.22 -41.42 8.33 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-O 122.829 1.3 . . . . 0.0 113.694 164.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -80.0 -41.59 25.53 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 117.341 -3.35 . . . . 0.0 107.107 -174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -62.4 -33.05 74.01 Favored 'General case' 0 CA--C 1.58 2.097 0 O-C-N 119.713 -1.867 . . . . 0.0 111.522 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -62.76 -42.38 99.66 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 124.348 1.059 . . . . 0.0 110.457 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -83.69 -1.71 54.64 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.111 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -148.96 -52.44 0.16 Allowed 'General case' 1 N--CA 1.571 5.6 0 CA-C-N 120.994 1.725 . . . . 0.0 114.756 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.4 mt -93.54 -23.72 18.23 Favored 'General case' 0 N--CA 1.405 -2.684 0 CA-C-N 121.337 1.88 . . . . 0.0 110.88 -162.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.41 152.86 42.87 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 162.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -90.89 121.32 68.2 Favored Pre-proline 0 C--O 1.253 1.259 0 C-N-CA 130.959 3.704 . . . . 0.0 109.587 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.31 135.95 15.5 Favored 'Trans proline' 0 C--O 1.265 1.829 0 O-C-N 125.115 2.113 . . . . 0.0 109.172 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.7 170.41 46.34 Favored Glycine 0 N--CA 1.472 1.058 0 C-N-CA 125.456 1.503 . . . . 0.0 113.851 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -79.42 164.31 24.01 Favored 'Trans proline' 0 C--O 1.261 1.632 0 C-N-CA 124.133 3.222 . . . . 0.0 107.703 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.63 158.3 46.84 Favored Glycine 1 N--CA 1.525 4.622 0 O-C-N 116.609 -3.807 . . . . 0.0 118.759 164.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 131.93 36.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 117.017 -3.637 . . . . 0.0 110.449 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.05 113.78 6.02 Favored Glycine 0 N--CA 1.488 2.121 0 CA-C-N 114.581 -1.19 . . . . 0.0 112.91 -173.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -55.02 135.83 70.4 Favored 'Trans proline' 0 CA--C 1.48 -2.188 0 CA-C-N 122.87 3.335 . . . . 0.0 116.713 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.56 -12.27 61.0 Favored 'General case' 0 N--CA 1.508 2.436 1 O-C-N 114.556 -5.09 . . . . 0.0 111.004 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . 0.333 11.7 m120 -73.71 -20.91 60.4 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.909 173.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -83.86 146.5 28.06 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 114.483 -2.675 . . . . 0.0 112.604 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 p -163.49 159.08 21.67 Favored 'General case' 0 CA--C 1.593 2.628 0 CA-C-O 124.575 2.131 . . . . 0.0 111.963 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -101.66 134.72 44.36 Favored 'General case' 0 N--CA 1.519 2.984 0 C-N-CA 128.227 2.611 . . . . 0.0 107.983 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -109.6 -5.04 15.82 Favored 'General case' 0 C--N 1.384 2.081 0 O-C-N 117.789 -3.069 . . . . 0.0 113.177 172.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.266 88.0 mtm180 -71.28 134.65 46.95 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 167.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.99 167.76 21.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 115.312 -2.28 . . . . 0.0 116.316 -158.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.06 145.85 35.02 Favored 'General case' 0 C--N 1.272 -2.8 0 O-C-N 127.118 2.761 . . . . 0.0 115.437 -171.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 m -121.87 16.71 10.98 Favored 'General case' 0 N--CA 1.525 3.3 0 CA-C-N 111.528 -2.578 . . . . 0.0 112.996 -177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.0 128.11 90.97 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 117.001 -1.879 . . . . 0.0 110.726 165.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -52.88 148.7 28.32 Favored 'Trans proline' 0 C--N 1.391 2.792 0 C-N-CA 124.172 3.248 . . . . 0.0 114.516 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.28 163.7 14.77 Favored Glycine 0 N--CA 1.411 -2.995 0 C-N-CA 127.908 2.67 . . . . 0.0 113.698 -178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -142.73 -14.19 0.74 Allowed 'General case' 0 CA--C 1.571 1.775 0 C-N-CA 128.786 2.835 . . . . 0.0 115.732 -165.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -166.61 -177.01 3.76 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-O 124.618 2.151 . . . . 0.0 110.121 -167.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -78.09 -29.21 48.95 Favored 'General case' 0 CA--C 1.565 1.548 0 O-C-N 117.568 -3.207 . . . . 0.0 112.426 -173.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.84 -58.69 7.28 Favored 'General case' 0 CA--C 1.592 2.584 1 O-C-N 114.696 -5.002 . . . . 0.0 110.279 163.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -56.36 -45.16 80.59 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 125.232 1.582 . . . . 0.0 112.945 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.458 17.3 m-85 -66.76 -27.13 67.35 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.472 2.397 . . . . 0.0 117.472 -174.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -87.13 -36.01 18.32 Favored 'General case' 0 C--O 1.273 2.337 1 O-C-N 129.534 4.271 . . . . 0.0 108.058 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -54.24 -31.73 54.17 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 113.278 -3.249 . . . . 0.0 118.276 153.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.5 mm -72.15 -36.05 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.738 0 CA-C-N 122.967 2.621 . . . . 0.0 107.081 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.19 -39.61 78.55 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-N 119.116 0.871 . . . . 0.0 113.299 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.308 6.0 t80 -50.72 -25.99 4.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.032 2.533 . . . . 0.0 116.601 156.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.54 -20.25 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 120.101 -1.624 . . . . 0.0 111.239 -172.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.01 -35.88 81.7 Favored 'General case' 0 CA--C 1.601 2.908 0 O-C-N 118.507 -2.621 . . . . 0.0 112.729 153.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.286 15.9 t80 -67.34 -49.09 65.5 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 167.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.11 -25.34 66.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 125.754 1.909 . . . . 0.0 115.108 170.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.64 -53.83 50.89 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.491 -2.006 . . . . 0.0 114.915 163.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 -27.51 62.74 Favored 'General case' 0 CA--C 1.62 3.643 0 CA-C-N 124.268 3.213 . . . . 0.0 115.472 175.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 t -75.15 -32.98 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 171.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.561 0.2 OUTLIER -59.27 -23.47 62.41 Favored 'General case' 0 N--CA 1.439 -0.978 1 C-N-CA 133.838 4.855 . . . . 0.0 112.581 163.494 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.3 t -78.32 -37.28 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-O 114.495 -2.669 . . . . 0.0 114.131 166.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.25 -39.27 95.93 Favored Glycine 0 CA--C 1.572 3.644 0 CA-C-O 116.702 -2.166 . . . . 0.0 107.704 163.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 -33.73 58.26 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 120.51 2.155 . . . . 0.0 111.215 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.67 -36.26 62.79 Favored 'General case' 0 CA--C 1.599 2.844 0 CA-C-O 115.168 -2.349 . . . . 0.0 108.658 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.7 mt -67.98 -38.64 80.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.02 0 CA-C-N 123.514 2.87 . . . . 0.0 108.972 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD11 ' NE ' ' A' ' 81' ' ' ARG . 52.6 tp -59.79 -37.21 78.45 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.12 -37.02 72.47 Favored Glycine 0 CA--C 1.556 2.613 0 C-N-CA 125.76 1.648 . . . . 0.0 114.499 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.52 ' CD2' ' HD3' ' A' ' 83' ' ' ARG . 22.9 m-85 -52.34 -34.62 48.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 125.081 2.372 . . . . 0.0 117.272 159.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.476 0.2 OUTLIER -62.81 -53.48 53.63 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 118.41 2.744 . . . . 0.0 118.41 166.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' NE ' HD11 ' A' ' 77' ' ' LEU . 84.1 mtt180 -110.95 -73.28 0.69 Allowed 'General case' 0 N--CA 1.528 3.464 0 CA-C-N 114.229 -1.351 . . . . 0.0 112.251 -170.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 97.2 p -70.09 -14.09 62.5 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.52 ' HD3' ' CD2' ' A' ' 79' ' ' TYR . 29.6 ttt-85 -86.48 -4.68 59.21 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.696 -1.878 . . . . 0.0 108.83 169.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 79' ' ' TYR . 81.9 mttt -125.23 -42.76 1.98 Allowed 'General case' 0 C--O 1.267 1.995 1 O-C-N 115.246 -4.659 . . . . 0.0 115.374 -173.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.4 m -159.49 166.28 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.956 1 CA-C-O 128.765 4.126 . . . . 0.0 108.715 -160.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.35 3.4 p30 -122.16 134.69 54.73 Favored 'General case' 0 C--O 1.275 2.432 1 O-C-N 115.435 -4.541 . . . . 0.0 117.892 176.83 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -58.51 134.15 56.44 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 131.67 3.988 . . . . 0.0 117.415 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -130.13 4.14 4.82 Favored 'General case' 0 N--CA 1.407 -2.624 1 O-C-N 116.148 -4.095 . . . . 0.0 114.614 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.9 p -61.28 145.52 51.05 Favored 'General case' 0 C--N 1.276 -2.615 0 N-CA-C 119.609 3.188 . . . . 0.0 119.609 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -89.96 96.99 0.93 Allowed Pre-proline 0 N--CA 1.518 2.94 0 CA-C-O 114.902 -2.475 . . . . 0.0 109.093 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.57 -9.14 17.11 Favored 'Trans proline' 0 C--O 1.204 -1.218 1 C-N-CA 127.457 5.438 . . . . 0.0 116.2 -163.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.456 85.3 m-85 -75.21 -24.09 57.72 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 -152.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -56.78 -16.1 5.9 Favored 'General case' 0 C--O 1.18 -2.581 0 C-N-CA 130.663 3.585 . . . . 0.0 110.442 172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.68 -31.33 17.29 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 C-N-CA 129.073 2.949 . . . . 0.0 112.72 172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -97.24 -37.77 9.95 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.05 108.02 24.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.05 0 C-N-CA 125.588 1.555 . . . . 0.0 112.486 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -49.56 -41.84 42.66 Favored 'General case' 0 C--O 1.268 2.052 0 O-C-N 124.805 1.315 . . . . 0.0 110.92 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -87.6 0.63 55.36 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 116.909 -3.62 . . . . 0.0 111.914 -170.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -81.78 157.94 24.3 Favored 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 121.475 1.943 . . . . 0.0 106.734 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . 0.258 9.3 p -95.19 143.82 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.062 0 O-C-N 119.08 -2.263 . . . . 0.0 111.226 176.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -63.77 131.27 47.33 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 118.547 -2.595 . . . . 0.0 110.56 167.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 61.3 mtm -127.46 168.27 15.12 Favored 'General case' 0 C--O 1.181 -2.541 0 CA-C-O 125.305 2.478 . . . . 0.0 111.12 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.582 2.19 1 CA-C-N 108.091 -4.14 . . . . 0.0 118.901 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.282 58.3 mp0 -76.74 176.75 8.16 Favored 'General case' 0 N--CA 1.52 3.048 0 O-C-N 120.442 -1.411 . . . . 0.0 112.35 169.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.42 116.09 31.51 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 127.423 2.952 . . . . 0.0 106.418 175.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -75.13 148.63 39.51 Favored 'General case' 0 N--CA 1.538 3.97 0 C-N-CA 123.44 0.696 . . . . 0.0 111.563 -170.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -56.54 155.66 7.06 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 127.879 2.472 . . . . 0.0 116.42 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.22 -164.44 24.79 Favored Glycine 0 N--CA 1.472 1.077 0 O-C-N 119.739 -1.85 . . . . 0.0 116.043 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -75.99 176.35 8.0 Favored 'General case' 0 N--CA 1.534 3.736 0 O-C-N 118.675 -2.662 . . . . 0.0 116.982 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -66.28 -38.39 87.67 Favored 'General case' 0 C--O 1.297 3.555 0 CA-C-O 123.845 1.783 . . . . 0.0 107.731 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.545 0.0 OUTLIER -62.05 -45.16 94.77 Favored 'General case' 0 CA--C 1.567 1.605 0 O-C-N 119.961 -1.712 . . . . 0.0 114.136 167.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.66 -50.64 72.68 Favored 'General case' 0 N--CA 1.533 3.702 0 O-C-N 117.173 -3.454 . . . . 0.0 109.95 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.402 4.1 t80 -54.65 -44.48 73.28 Favored 'General case' 0 CA--C 1.463 -2.401 0 CA-C-O 114.727 -2.558 . . . . 0.0 117.222 172.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.81 -23.35 66.17 Favored 'General case' 0 CA--C 1.606 3.13 0 CA-C-N 120.34 1.427 . . . . 0.0 108.829 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -80.15 -31.88 38.93 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.395 -1.441 . . . . 0.0 111.736 172.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -67.0 -37.75 84.76 Favored 'General case' 0 C--N 1.407 3.066 0 O-C-N 117.819 -3.05 . . . . 0.0 114.02 165.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -57.25 -42.29 81.23 Favored 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.97 89.03 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.657 1.983 . . . . 0.0 109.473 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.85 -58.12 5.96 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.663 0 CA-C-N 124.688 3.403 . . . . 0.0 111.359 161.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.95 -25.16 67.76 Favored 'General case' 0 C--O 1.183 -2.432 0 O-C-N 119.044 -2.285 . . . . 0.0 111.356 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.72 -43.16 66.37 Favored 'General case' 0 N--CA 1.521 3.097 0 O-C-N 118.985 -2.322 . . . . 0.0 114.041 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.03 -63.81 0.94 Allowed 'General case' 0 C--O 1.197 -1.708 0 O-C-N 126.729 2.518 . . . . 0.0 109.791 163.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tt -46.09 -39.78 9.88 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 118.909 -2.37 . . . . 0.0 115.281 175.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.0 -24.52 61.58 Favored 'General case' 0 CA--C 1.601 2.942 0 C-N-CA 128.518 2.727 . . . . 0.0 109.752 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.97 -52.97 9.8 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 120.519 -1.363 . . . . 0.0 108.363 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -43.3 29.52 Favored 'General case' 0 C--O 1.186 -2.245 0 C-N-CA 127.376 2.27 . . . . 0.0 114.16 163.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.67 -61.64 2.18 Favored 'General case' 0 C--O 1.18 -2.583 0 O-C-N 117.99 -2.944 . . . . 0.0 114.388 168.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.25 -34.85 77.32 Favored 'General case' 0 CA--C 1.501 -0.912 0 O-C-N 121.562 -0.711 . . . . 0.0 111.744 -176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 t -55.58 -31.85 62.55 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 127.05 2.14 . . . . 0.0 114.774 175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.258 60.7 m-20 -88.85 -38.57 14.49 Favored 'General case' 0 CA--C 1.579 2.062 0 O-C-N 126.257 2.223 . . . . 0.0 113.804 176.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.61 -24.34 67.53 Favored 'General case' 0 CA--C 1.576 1.978 0 O-C-N 126.63 2.456 . . . . 0.0 115.852 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.23 -21.41 61.78 Favored 'General case' 0 N--CA 1.52 3.027 0 O-C-N 117.837 -3.04 . . . . 0.0 116.15 160.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.5 m -79.24 148.59 32.15 Favored 'General case' 0 N--CA 1.395 -3.213 0 O-C-N 116.968 -3.583 . . . . 0.0 110.313 -168.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -68.24 146.63 98.09 Favored Pre-proline 1 N--CA 1.552 4.639 0 C-N-CA 115.295 -2.562 . . . . 0.0 116.068 168.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.6 152.87 80.49 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 125.116 3.877 . . . . 0.0 110.614 169.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.42 -174.59 48.6 Favored Glycine 0 N--CA 1.488 2.164 0 C-N-CA 125.465 1.507 . . . . 0.0 115.827 -175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -67.8 164.59 30.89 Favored 'Trans proline' 0 N--CA 1.517 2.882 0 C-N-CA 122.817 2.345 . . . . 0.0 113.931 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.68 170.76 28.38 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.406 -1.27 . . . . 0.0 114.633 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.252 52.2 mt -56.19 173.37 0.17 Allowed 'General case' 0 C--N 1.381 1.968 0 CA-C-N 118.223 1.012 . . . . 0.0 113.378 159.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.66 175.37 18.69 Favored Glycine 0 C--O 1.195 -2.331 0 O-C-N 124.465 1.103 . . . . 0.0 115.467 165.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.22 -17.84 41.42 Favored 'Trans proline' 0 N--CA 1.532 3.751 0 C-N-CA 123.654 2.903 . . . . 0.0 113.573 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -79.26 -16.33 56.62 Favored 'General case' 0 N--CA 1.521 3.108 0 CA-C-N 124.778 3.444 . . . . 0.0 110.558 -174.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -84.04 -7.66 59.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -91.8 168.69 11.27 Favored 'General case' 0 CA--C 1.588 2.427 0 O-C-N 120.62 -1.3 . . . . 0.0 111.591 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.35 131.31 53.02 Favored 'General case' 0 N--CA 1.519 2.996 0 O-C-N 118.929 -2.357 . . . . 0.0 113.265 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -91.81 145.94 24.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 116.491 -3.881 . . . . 0.0 110.345 -169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.48 129.9 42.14 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 129.338 3.055 . . . . 0.0 104.936 -173.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -104.45 125.73 50.91 Favored 'General case' 0 N--CA 1.505 2.282 0 CA-C-O 115.05 -2.405 . . . . 0.0 114.925 169.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 -141.02 126.61 18.91 Favored 'General case' 0 C--O 1.203 -1.379 0 O-C-N 128.589 3.681 . . . . 0.0 112.39 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.76 149.41 48.0 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 128.505 3.628 . . . . 0.0 113.249 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.8 t -130.98 58.0 1.73 Allowed 'General case' 0 C--N 1.266 -3.024 1 C-N-CA 132.042 4.137 . . . . 0.0 111.016 -170.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.56 143.46 98.18 Favored Pre-proline 0 C--O 1.273 2.321 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -170.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.51 103.1 1.24 Allowed 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 125.235 3.957 . . . . 0.0 108.712 -158.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.85 150.73 5.28 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.3 mtt85 -139.17 71.2 1.38 Allowed 'General case' 0 C--O 1.177 -2.713 0 CA-C-O 123.666 1.698 . . . . 0.0 113.765 -165.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -133.36 121.6 22.58 Favored 'General case' 0 CA--C 1.614 3.427 0 CA-C-N 110.146 -3.206 . . . . 0.0 114.333 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . 0.35 17.0 p30 -62.81 -1.31 0.84 Allowed 'General case' 0 CA--C 1.6 2.872 1 O-C-N 130.736 5.022 . . . . 0.0 117.968 -176.04 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -62.68 -4.47 2.05 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-O 116.632 -1.652 . . . . 0.0 111.677 160.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.5 p -52.29 -30.03 26.06 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.428 2.381 . . . . 0.0 117.428 161.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.29 60.5 m-85 -67.86 -31.55 71.45 Favored 'General case' 0 N--CA 1.395 -3.211 1 O-C-N 116.101 -4.124 . . . . 0.0 117.046 176.549 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . 0.345 22.0 ttp -67.74 -50.99 54.37 Favored 'General case' 0 C--N 1.319 -0.727 1 C-N-CA 134.887 5.275 . . . . 0.0 108.569 170.754 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.59 71.0 m-85 -46.08 -41.2 11.91 Favored 'General case' 0 C--O 1.167 -3.261 0 CA-C-O 123.663 1.697 . . . . 0.0 115.452 160.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.254 33.2 mt -73.39 -20.17 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.307 0 CA-C-O 116.347 -1.787 . . . . 0.0 110.992 177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.24 -54.73 7.11 Favored 'General case' 0 C--O 1.201 -1.47 0 CA-C-N 120.982 1.719 . . . . 0.0 107.394 170.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.451 53.6 m-85 -54.8 -21.83 12.44 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 128.266 3.479 . . . . 0.0 117.552 173.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.424 0.4 OUTLIER -73.93 -41.0 53.27 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 128.367 2.667 . . . . 0.0 110.434 174.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 tpp -66.69 -33.16 75.03 Favored 'General case' 0 CA--C 1.477 -1.851 0 O-C-N 120.831 -1.168 . . . . 0.0 113.928 172.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.419 32.9 m-85 -60.59 -52.24 66.01 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 161.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 tp -42.14 -45.81 4.15 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 119.678 3.214 . . . . 0.0 119.678 163.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.9 -61.26 2.05 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 160.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.95 -37.7 33.22 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 121.195 1.816 . . . . 0.0 114.818 175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -83.05 -29.85 8.23 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.802 0 C-N-CA 123.947 0.899 . . . . 0.0 111.768 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m -59.8 -23.84 63.64 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 115.573 -2.156 . . . . 0.0 116.272 157.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.339 2.9 t -68.97 -45.03 80.94 Favored 'Isoleucine or valine' 0 C--N 1.381 1.941 0 CA-C-N 123.129 2.695 . . . . 0.0 111.793 170.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.71 -28.94 66.25 Favored Glycine 0 N--CA 1.486 2.0 0 CA-C-N 112.039 -2.346 . . . . 0.0 110.963 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -83.71 -6.94 59.56 Favored 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.296 59.1 mt -63.03 -50.99 68.51 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 124.315 2.007 . . . . 0.0 113.691 151.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -61.43 -54.74 30.96 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.013 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.11 -19.86 65.98 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.71 -25.2 68.78 Favored Glycine 0 CA--C 1.565 3.171 0 CA-C-O 116.587 -2.23 . . . . 0.0 114.498 163.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.296 21.4 t80 -79.16 -42.64 25.66 Favored 'General case' 0 N--CA 1.394 -3.246 1 C-N-CA 131.712 4.005 . . . . 0.0 119.105 157.961 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.355 1.8 p -95.23 -68.2 0.81 Allowed 'General case' 0 C--O 1.263 1.785 0 N-CA-C 117.97 2.581 . . . . 0.0 117.97 -171.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -100.04 20.09 15.1 Favored 'General case' 0 CA--C 1.598 2.823 0 CA-C-O 115.295 -2.288 . . . . 0.0 115.18 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.9 p -69.03 -4.17 15.95 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 122.395 2.361 . . . . 0.0 116.442 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -47.17 140.44 5.21 Favored 'General case' 0 C--O 1.163 -3.482 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 167.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -81.54 -32.35 32.32 Favored 'General case' 0 C--O 1.276 2.476 0 C-N-CA 128.214 2.606 . . . . 0.0 115.538 149.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.348 0.3 OUTLIER -68.41 134.93 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.909 0 CA-C-N 122.383 2.356 . . . . 0.0 113.566 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.34 175.62 10.43 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmmm -71.09 77.26 0.68 Allowed 'General case' 0 CA--C 1.575 1.913 0 O-C-N 125.267 1.604 . . . . 0.0 113.99 176.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -68.07 -28.26 67.22 Favored 'General case' 0 CA--C 1.466 -2.285 0 CA-C-O 114.066 -2.873 . . . . 0.0 118.299 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -44.57 -37.6 3.68 Favored 'General case' 0 CA--C 1.583 2.22 1 O-C-N 129.549 4.281 . . . . 0.0 117.621 170.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.56 152.75 41.53 Favored Pre-proline 0 C--O 1.283 2.835 0 C-N-CA 130.531 3.532 . . . . 0.0 114.678 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . 0.251 93.8 Cg_endo -83.72 43.47 1.41 Allowed 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 122.882 2.388 . . . . 0.0 114.877 -171.497 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -57.03 -30.45 64.23 Favored 'General case' 0 C--O 1.276 2.47 0 N-CA-C 120.79 3.626 . . . . 0.0 120.79 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.58 ' HA ' HG12 ' A' ' 96' ' ' ILE . 43.9 p-80 -58.08 -26.69 62.87 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-O 115.255 -2.307 . . . . 0.0 114.525 168.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.95 -33.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 2 CA-C-N 128.648 5.204 . . . . 0.0 111.322 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.421 0.2 OUTLIER -63.43 -35.14 79.45 Favored 'General case' 0 CA--C 1.611 3.297 1 N-CA-C 124.917 5.155 . . . . 0.0 124.917 164.753 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.58 HG12 ' HA ' ' A' ' 93' ' ' HIS . 26.5 pt -80.96 149.98 4.82 Favored 'Isoleucine or valine' 0 C--N 1.41 3.219 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.605 -171.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -121.06 166.43 13.9 Favored 'General case' 0 C--O 1.275 2.395 0 C-N-CA 126.161 1.784 . . . . 0.0 111.636 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.53 -31.88 42.15 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.55 1.14 . . . . 0.0 109.707 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -148.36 174.26 12.23 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 117.186 -3.446 . . . . 0.0 112.905 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . 0.425 1.9 m -66.76 158.59 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.875 0 N-CA-C 119.991 3.33 . . . . 0.0 119.991 153.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -118.26 153.8 33.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 125.882 1.989 . . . . 0.0 112.271 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 57.4 tpp -75.52 156.47 35.09 Favored 'General case' 0 C--N 1.263 -3.174 0 C-N-CA 127.926 2.49 . . . . 0.0 117.236 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.338 9.1 tt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 124.75 1.281 . . . . 0.0 110.024 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 C--O 1.197 -1.71 0 CA-C-O 116.408 -1.758 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -98.33 146.03 26.09 Favored 'General case' 0 N--CA 1.52 3.07 0 CA-C-N 120.785 1.63 . . . . 0.0 114.543 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 t -133.67 145.77 50.24 Favored 'General case' 0 CA--C 1.463 -2.376 0 CA-C-O 127.846 3.688 . . . . 0.0 116.441 158.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.355 1.5 p -141.65 163.93 31.59 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 127.972 2.509 . . . . 0.0 109.086 176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.312 63.1 t30 -64.45 141.43 58.77 Favored 'General case' 0 C--O 1.267 2.026 0 CA-C-N 113.795 -1.548 . . . . 0.0 111.06 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.67 -160.92 23.59 Favored Glycine 0 C--O 1.198 -2.097 0 CA-C-O 113.488 -3.951 . . . . 0.0 109.68 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.09 170.66 14.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 O-C-N 126.679 2.047 . . . . 0.0 114.243 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -62.74 -27.02 68.99 Favored 'General case' 0 CA--C 1.612 3.337 0 C-N-CA 117.6 -1.64 . . . . 0.0 110.715 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.319 3.8 p -71.41 -33.76 69.75 Favored 'General case' 1 N--CA 1.543 4.217 0 O-C-N 119.641 -1.912 . . . . 0.0 112.781 177.617 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -40.46 97.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 125.838 1.961 . . . . 0.0 113.747 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.428 34.9 m-85 -60.01 -30.8 69.39 Favored 'General case' 1 N--CA 1.539 4.015 0 O-C-N 127.954 3.284 . . . . 0.0 116.924 166.688 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -88.81 -11.71 44.05 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 173.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.5 m -82.95 -36.82 24.85 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 115.213 -2.327 . . . . 0.0 106.643 168.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.87 -34.29 74.39 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 121.125 1.784 . . . . 0.0 110.055 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.14 -40.88 97.11 Favored 'General case' 0 CA--C 1.464 -2.34 0 O-C-N 124.998 1.436 . . . . 0.0 110.517 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -28.79 68.42 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 116.601 2.074 . . . . 0.0 116.601 170.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.35 -43.36 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 125.127 1.371 . . . . 0.0 112.832 171.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.23 -30.2 70.3 Favored 'General case' 0 N--CA 1.398 -3.039 0 O-C-N 118.738 -2.476 . . . . 0.0 114.261 170.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -64.21 -44.34 92.23 Favored 'General case' 0 CA--C 1.474 -1.972 0 O-C-N 119.162 -2.211 . . . . 0.0 115.661 169.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 -46.76 72.3 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 112.126 -2.306 . . . . 0.0 108.005 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.3 -47.1 74.72 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 120.988 1.722 . . . . 0.0 115.324 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.263 77.2 m-20 -65.59 -23.63 66.88 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 121.814 2.097 . . . . 0.0 113.073 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.59 46.94 Favored 'General case' 0 N--CA 1.538 3.93 0 C-N-CA 127.676 2.391 . . . . 0.0 116.342 166.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -57.79 -30.9 66.04 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 114.549 -2.644 . . . . 0.0 113.866 163.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -75.13 -35.93 61.66 Favored 'General case' 0 CA--C 1.496 -1.097 0 O-C-N 128.091 3.369 . . . . 0.0 112.35 166.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.18 -25.8 62.68 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 117.478 -3.264 . . . . 0.0 113.536 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -81.45 -43.15 19.3 Favored 'General case' 0 N--CA 1.427 -1.603 0 O-C-N 118.24 -2.788 . . . . 0.0 107.178 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -55.28 -43.47 74.78 Favored 'General case' 0 CA--C 1.465 -2.314 0 N-CA-C 119.24 3.052 . . . . 0.0 119.24 168.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.8 tp -56.64 -25.66 54.01 Favored 'General case' 0 C--N 1.275 -2.64 0 C-N-CA 129.21 3.004 . . . . 0.0 117.781 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.3 mt -105.67 -23.18 12.8 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 117.655 -3.153 . . . . 0.0 112.286 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 t -57.82 148.17 26.06 Favored 'General case' 0 C--O 1.26 1.623 0 C-N-CA 124.252 1.021 . . . . 0.0 110.105 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.97 108.18 11.75 Favored Pre-proline 0 N--CA 1.518 2.951 1 C-N-CA 135.023 5.329 . . . . 0.0 104.804 -167.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.0 -175.88 0.14 Allowed 'Trans proline' 0 CA--C 1.572 2.397 0 O-C-N 118.233 -1.509 . . . . 0.0 112.788 167.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.58 160.86 31.3 Favored Glycine 0 CA--C 1.475 -2.462 0 C-N-CA 118.149 -1.977 . . . . 0.0 109.239 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -53.63 150.28 28.84 Favored 'Trans proline' 0 N--CA 1.428 -2.378 0 C-N-CA 124.524 3.483 . . . . 0.0 111.702 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.47 178.67 16.34 Favored Glycine 0 C--O 1.284 3.231 0 O-C-N 120.342 -1.474 . . . . 0.0 116.267 161.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.4 tp -79.53 -47.17 16.01 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.228 2.514 . . . . 0.0 115.833 -172.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.78 -164.18 10.62 Favored Glycine 0 CA--C 1.573 3.712 0 CA-C-N 125.213 3.642 . . . . 0.0 121.125 169.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -83.71 166.81 13.36 Favored 'Trans proline' 0 CA--C 1.57 2.29 0 C-N-CA 121.516 1.478 . . . . 0.0 114.538 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.354 73.4 m-20 -71.27 -5.39 31.85 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 129.003 2.921 . . . . 0.0 115.961 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -86.42 -17.69 33.68 Favored 'General case' 1 N--CA 1.358 -5.032 0 O-C-N 125.659 1.849 . . . . 0.0 110.965 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.7 155.8 1.56 Allowed 'General case' 0 CA--C 1.59 2.493 0 CA-C-O 115.422 -2.228 . . . . 0.0 109.959 163.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.389 0.1 OUTLIER -132.84 149.4 52.27 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 120.159 3.392 . . . . 0.0 120.159 178.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.342 2.4 pt-20 -150.65 68.37 0.96 Allowed 'General case' 0 N--CA 1.518 2.956 0 O-C-N 118.608 -2.558 . . . . 0.0 107.345 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.01 165.11 23.8 Favored 'General case' 0 C--O 1.263 1.771 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.259 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -81.51 177.53 8.89 Favored 'General case' 0 CA--C 1.588 2.415 0 O-C-N 116.789 -3.694 . . . . 0.0 108.95 165.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -57.47 160.25 4.28 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 127.921 3.263 . . . . 0.0 115.688 167.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.0 160.1 0.78 Allowed 'General case' 0 N--CA 1.52 3.05 0 O-C-N 125.411 1.694 . . . . 0.0 114.815 -171.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.97 91.62 2.53 Favored 'General case' 0 CA--C 1.494 -1.194 0 O-C-N 125.022 1.451 . . . . 0.0 110.593 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.9 127.51 74.55 Favored Pre-proline 0 CA--C 1.58 2.111 0 C-N-CA 125.431 1.492 . . . . 0.0 109.414 161.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.19 122.08 11.17 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 123.733 2.956 . . . . 0.0 113.787 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.85 129.92 1.3 Allowed Glycine 0 C--O 1.247 0.934 0 O-C-N 119.028 -2.295 . . . . 0.0 109.437 -166.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -161.02 100.28 1.24 Allowed 'General case' 0 N--CA 1.388 -3.545 0 CA-C-N 111.291 -2.454 . . . . 0.0 107.987 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -153.5 117.53 4.8 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.119 -1.613 . . . . 0.0 113.836 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -56.94 -3.86 0.14 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 129.891 3.276 . . . . 0.0 115.222 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -73.39 -9.26 58.51 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 117.165 -3.459 . . . . 0.0 111.511 166.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -52.32 -23.12 5.31 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 127.041 2.136 . . . . 0.0 110.372 163.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -80.18 -21.65 42.77 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 119.843 3.275 . . . . 0.0 119.843 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 60.1 ttm -74.69 -30.24 61.49 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 127.012 2.125 . . . . 0.0 109.876 162.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 36.1 t80 -57.96 -46.58 84.89 Favored 'General case' 0 N--CA 1.419 -2.004 0 C-N-CA 115.74 -2.384 . . . . 0.0 114.367 157.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . 0.386 33.9 mm -51.01 -37.11 16.55 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 171.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.25 -42.54 36.81 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 119.486 -2.009 . . . . 0.0 113.753 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -60.66 -27.88 68.17 Favored 'General case' 1 C--O 1.323 4.959 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 170.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -13.57 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.0 mtm -64.89 -37.28 87.11 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-O 124.243 1.973 . . . . 0.0 108.553 152.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.321 42.3 t80 -70.2 -42.7 72.0 Favored 'General case' 0 C--O 1.271 2.191 0 C-N-CA 116.52 -2.072 . . . . 0.0 115.539 171.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.3 tp -67.62 -27.3 66.78 Favored 'General case' 0 C--O 1.278 2.579 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.653 2.6 t80 -43.1 -60.51 1.62 Allowed 'General case' 0 CA--C 1.485 -1.552 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 159.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.6 -25.84 63.23 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.208 -1.557 . . . . 0.0 111.092 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.18 -39.13 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 C-N-CA 129.292 3.037 . . . . 0.0 105.908 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . 0.295 12.5 m -64.36 -37.05 86.16 Favored 'General case' 0 C--O 1.172 -3.024 1 CA-C-O 111.587 -4.054 . . . . 0.0 112.54 168.56 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.251 39.6 t -52.04 -52.48 23.39 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-N 122.422 2.374 . . . . 0.0 113.236 168.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.85 -21.24 73.1 Favored Glycine 0 N--CA 1.476 1.32 0 CA-C-O 114.462 -3.41 . . . . 0.0 113.429 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 m -72.57 -40.2 66.8 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 129.106 2.963 . . . . 0.0 107.542 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . 0.277 47.9 tp -65.59 -33.54 76.14 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 124.453 2.073 . . . . 0.0 116.24 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.37 -48.02 82.21 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 118.646 -2.534 . . . . 0.0 106.91 168.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.37 -24.1 67.15 Favored 'General case' 0 N--CA 1.524 3.228 0 O-C-N 116.961 -3.587 . . . . 0.0 109.389 173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.22 -43.52 38.78 Favored Glycine 0 N--CA 1.402 -3.597 0 C-N-CA 127.826 2.632 . . . . 0.0 108.937 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -50.16 -41.64 49.54 Favored 'General case' 0 C--O 1.26 1.618 1 CA-C-N 124.576 4.188 . . . . 0.0 114.348 165.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.314 0.2 OUTLIER -72.53 -28.26 62.75 Favored 'General case' 0 CA--C 1.573 1.856 1 C-N-CA 132.539 4.335 . . . . 0.0 112.096 174.61 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -136.08 -51.66 0.72 Allowed 'General case' 0 C--O 1.162 -3.53 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -164.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.4 m -69.31 -36.43 76.98 Favored 'General case' 0 C--O 1.272 2.268 0 CA-C-O 115.398 -2.239 . . . . 0.0 109.938 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -54.6 138.61 40.77 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 103.074 -2.935 . . . . 0.0 103.074 170.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -71.35 -3.46 20.83 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 117.718 -3.114 . . . . 0.0 113.689 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 m -132.21 153.19 37.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 127.658 2.383 . . . . 0.0 113.812 169.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.26 167.77 26.81 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 124.593 1.157 . . . . 0.0 110.119 -172.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -134.89 70.31 1.44 Allowed 'General case' 0 C--N 1.405 3.007 0 C-N-CA 125.689 1.596 . . . . 0.0 109.671 164.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -63.14 -57.29 11.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 127.058 2.143 . . . . 0.0 111.538 -161.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -71.24 138.93 49.84 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.574 1.15 . . . . 0.0 112.275 165.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.555 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 14.6 m-20 -143.68 157.3 58.85 Favored Pre-proline 0 CA--C 1.607 3.142 0 N-CA-C 119.279 3.066 . . . . 0.0 119.279 147.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . 0.25 31.0 Cg_endo -56.65 -29.56 80.17 Favored 'Trans proline' 0 N--CA 1.515 2.79 0 C-N-CA 123.525 2.817 . . . . 0.0 115.614 -173.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 90' ' ' ASP 0.287 22.8 p90 -60.4 -20.31 59.17 Favored 'General case' 0 CA--C 1.462 -2.416 0 C-N-CA 125.915 1.686 . . . . 0.0 115.384 171.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -98.35 -49.47 4.67 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 119.648 -1.908 . . . . 0.0 109.615 162.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.86 -36.39 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.35 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.976 -165.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.547 96.1 m-85 -59.65 -13.23 8.85 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 166.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.4 mm -72.4 109.97 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.315 0 O-C-N 119.38 -2.075 . . . . 0.0 112.422 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -63.18 -43.02 99.41 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.831 2.052 . . . . 0.0 115.768 170.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.95 -10.34 3.99 Favored 'General case' 0 N--CA 1.388 -3.563 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -82.14 127.82 33.52 Favored 'General case' 0 CA--C 1.489 -1.375 0 C-N-CA 126.834 2.054 . . . . 0.0 110.544 -164.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.1 m -97.66 -35.54 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-N 113.916 -1.493 . . . . 0.0 111.806 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.37 80.0 p -81.85 164.02 21.9 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -80.94 141.27 34.67 Favored 'General case' 0 C--O 1.265 1.905 0 O-C-N 121.106 -0.996 . . . . 0.0 110.117 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.509 2.478 0 C-N-CA 130.17 3.388 . . . . 0.0 113.345 164.299 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.414 -2.232 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -87.0 139.69 30.32 Favored 'General case' 0 C--N 1.398 2.684 0 C-N-CA 126.536 1.934 . . . . 0.0 108.782 163.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -105.7 143.0 34.47 Favored 'General case' 1 N--CA 1.54 4.042 0 C-N-CA 129.176 2.99 . . . . 0.0 106.839 169.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -150.52 144.97 25.68 Favored 'General case' 0 CA--C 1.584 2.274 0 C-N-CA 127.795 2.438 . . . . 0.0 115.048 171.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.25 166.05 22.57 Favored 'General case' 0 C--O 1.253 1.266 0 O-C-N 118.958 -2.339 . . . . 0.0 110.463 -172.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.05 121.33 11.56 Favored Glycine 0 C--O 1.214 -1.131 0 C-N-CA 127.808 2.623 . . . . 0.0 108.123 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -20.69 66.07 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 115.876 -2.011 . . . . 0.0 112.609 -170.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -65.09 -26.76 68.36 Favored 'General case' 0 CA--C 1.579 2.061 0 C-N-CA 127.515 2.326 . . . . 0.0 111.444 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 p -73.22 -42.95 62.04 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 118.778 -2.451 . . . . 0.0 111.208 169.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.46 -31.77 72.16 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.317 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.458 15.1 t80 -47.08 -36.27 7.98 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 122.616 2.462 . . . . 0.0 116.868 165.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -71.97 -28.27 63.32 Favored 'General case' 0 N--CA 1.538 3.95 0 O-C-N 120.699 -1.251 . . . . 0.0 112.576 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 p -82.72 -39.25 22.18 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 119.203 -2.186 . . . . 0.0 109.463 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.64 -25.82 60.71 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.682 -1.261 . . . . 0.0 113.596 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.291 10.6 m-70 -91.25 -35.01 14.74 Favored 'General case' 0 N--CA 1.53 3.568 0 O-C-N 119.586 -1.946 . . . . 0.0 110.579 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.76 -47.9 59.39 Favored 'General case' 0 CA--C 1.581 2.17 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 159.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -33.66 64.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 O-C-N 124.15 0.906 . . . . 0.0 113.2 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.07 -41.97 97.14 Favored 'General case' 0 CA--C 1.575 1.914 0 O-C-N 118.958 -2.339 . . . . 0.0 110.027 172.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -71.17 -29.71 65.54 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.024 -1.047 . . . . 0.0 112.976 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.11 46.66 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.28 -53.13 21.32 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.604 165.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.252 98.0 m-20 -60.76 -21.43 63.01 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 174.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.68 18.22 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.325 0.8 OUTLIER -104.05 -15.61 15.53 Favored 'General case' 0 C--N 1.37 1.46 0 N-CA-C 120.354 3.464 . . . . 0.0 120.354 166.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.94 -25.52 67.65 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 123.724 1.726 . . . . 0.0 111.777 168.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -121.54 32.3 5.95 Favored 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 130.427 3.491 . . . . 0.0 114.465 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 p -62.9 -28.52 70.11 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 116.35 -3.968 . . . . 0.0 117.749 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -46.48 -23.3 0.36 Allowed 'General case' 0 C--N 1.367 1.348 0 CA-C-O 114.567 -2.635 . . . . 0.0 113.39 166.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -79.95 -54.42 5.82 Favored 'General case' 0 C--O 1.262 1.725 0 CA-C-O 113.453 -3.165 . . . . 0.0 110.033 -170.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -135.01 6.38 3.37 Favored 'General case' 0 CA--C 1.593 2.619 0 CA-C-N 120.985 1.72 . . . . 0.0 111.606 -171.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.8 t -121.79 28.51 7.59 Favored 'General case' 0 C--O 1.257 1.451 0 C-N-CA 131.337 3.855 . . . . 0.0 112.233 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -83.51 139.42 41.26 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 117.324 -3.36 . . . . 0.0 114.383 167.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.95 154.02 10.92 Favored 'Trans proline' 0 CA--C 1.576 2.586 0 C-N-CA 123.607 2.872 . . . . 0.0 117.208 171.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.56 165.88 18.13 Favored Glycine 0 CA--C 1.559 2.815 1 O-C-N 129.648 4.343 . . . . 0.0 115.376 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.326 39.4 Cg_exo -64.7 146.89 89.49 Favored 'Trans proline' 0 C--O 1.261 1.629 0 C-N-CA 123.068 2.512 . . . . 0.0 112.373 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.9 -173.35 46.14 Favored Glycine 0 C--N 1.383 3.189 0 CA-C-O 117.461 -1.744 . . . . 0.0 115.227 165.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.64 -15.46 63.53 Favored 'General case' 1 N--CA 1.374 -4.23 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 164.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.59 -179.34 47.32 Favored Glycine 0 CA--C 1.565 3.218 1 CA-C-O 112.197 -4.668 . . . . 0.0 118.425 -171.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.1 154.13 62.44 Favored 'Trans proline' 0 CA--C 1.585 3.069 0 O-C-N 128.352 3.817 . . . . 0.0 118.228 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -63.83 -27.51 69.22 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 -171.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -59.04 -17.93 30.05 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 113.967 -2.921 . . . . 0.0 114.989 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -151.12 20.48 0.76 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 121.448 1.931 . . . . 0.0 111.679 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.32 0.3 OUTLIER -138.91 147.08 41.86 Favored 'General case' 0 N--CA 1.484 1.272 1 C-N-CA 131.738 4.015 . . . . 0.0 120.582 -177.761 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -106.13 165.51 11.18 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 167.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.296 2.8 tp10 -81.27 139.34 35.5 Favored 'General case' 0 C--O 1.278 2.601 0 O-C-N 119.404 -2.06 . . . . 0.0 108.675 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.49 160.24 20.58 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 124.87 1.356 . . . . 0.0 113.539 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . 0.272 20.8 ttm180 -65.24 127.3 31.14 Favored 'General case' 0 CA--C 1.473 -1.981 0 CA-C-O 115.251 -2.309 . . . . 0.0 110.171 170.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.88 173.04 5.7 Favored 'General case' 0 CA--C 1.582 2.193 1 CA-C-N 126.38 4.173 . . . . 0.0 109.539 -165.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.6 m -78.53 48.69 0.8 Allowed 'General case' 0 N--CA 1.51 2.526 0 C-N-CA 131.465 3.906 . . . . 0.0 115.701 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 mt -82.47 125.31 76.6 Favored Pre-proline 0 C--O 1.208 -1.083 2 CA-C-N 107.958 -4.201 . . . . 0.0 107.0 -173.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -79.78 114.64 3.22 Favored 'Trans proline' 0 N--CA 1.487 1.093 0 CA-C-N 122.86 2.057 . . . . 0.0 110.519 -171.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.06 51.64 0.27 Allowed Glycine 1 N--CA 1.542 5.719 0 CA-C-N 121.697 2.044 . . . . 0.0 109.51 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -116.55 -39.85 3.28 Favored 'General case' 0 C--O 1.303 3.902 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -166.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.33 149.41 48.25 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 126.878 2.071 . . . . 0.0 113.762 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -60.17 -31.27 69.96 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 -159.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.269 25.5 t-20 -65.11 -42.25 94.12 Favored 'General case' 0 C--O 1.175 -2.856 0 CA-C-O 127.055 3.312 . . . . 0.0 114.017 164.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 m -72.56 -34.23 67.35 Favored 'General case' 0 C--N 1.299 -1.626 1 O-C-N 115.634 -4.416 . . . . 0.0 109.352 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . 0.272 65.8 t80 -64.71 -34.66 78.83 Favored 'General case' 0 C--O 1.186 -2.275 0 CA-C-N 119.294 0.952 . . . . 0.0 111.621 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.3 tpp -71.6 -38.83 70.82 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 125.649 2.643 . . . . 0.0 109.084 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.281 54.4 m-85 -54.75 -39.44 68.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 118.401 -2.687 . . . . 0.0 110.426 160.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mm -70.9 -27.61 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 2 O-C-N 114.601 -5.062 . . . . 0.0 114.351 173.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.03 -37.85 88.96 Favored 'General case' 0 CA--C 1.592 2.567 0 CA-C-O 125.108 2.385 . . . . 0.0 113.698 166.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.294 65.7 m-85 -59.84 -28.98 67.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.778 -1.826 . . . . 0.0 115.112 160.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.6 -38.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 116.705 -3.747 . . . . 0.0 107.774 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.6 mtm -65.05 -45.84 83.69 Favored 'General case' 0 C--N 1.4 2.765 0 O-C-N 119.647 -1.908 . . . . 0.0 110.102 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.294 10.0 t80 -54.93 -49.86 70.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 166.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . 0.275 60.8 tp -74.59 -19.88 60.14 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-O 114.884 -2.484 . . . . 0.0 106.652 -178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.656 ' O ' HG23 ' A' ' 72' ' ' VAL 0.276 36.9 t80 -55.13 -48.72 73.27 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 125.618 1.824 . . . . 0.0 115.682 162.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.87 -50.27 46.31 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 123.367 1.556 . . . . 0.0 113.524 173.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.89 -43.8 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.659 2.171 . . . . 0.0 111.333 -177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -57.94 -33.56 68.94 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 114.664 -2.589 . . . . 0.0 110.311 168.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 68' ' ' PHE . 97.1 t -62.19 -51.84 67.54 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.927 0 CA-C-N 125.599 3.818 . . . . 0.0 109.581 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.9 3.14 Favored Glycine 0 N--CA 1.515 3.959 0 O-C-N 126.839 2.587 . . . . 0.0 116.616 162.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.8 m -73.88 -22.8 59.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -168.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.1 tp -78.67 -27.78 45.24 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 120.702 -1.249 . . . . 0.0 114.34 166.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.13 -54.88 27.62 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 171.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.84 -23.06 62.26 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.0 -46.25 82.39 Favored Glycine 0 C--O 1.18 -3.256 0 C-N-CA 127.569 2.509 . . . . 0.0 113.921 164.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.469 52.5 m-85 -60.61 -28.2 68.34 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 171.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.73 -9.88 31.89 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 128.23 2.612 . . . . 0.0 117.85 164.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . 0.272 68.3 mtt85 -130.5 -53.79 1.09 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 129.732 3.213 . . . . 0.0 111.33 -172.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -57.58 -44.74 85.57 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 122.733 2.515 . . . . 0.0 107.762 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -71.0 126.4 29.46 Favored 'General case' 0 C--O 1.265 1.91 0 CA-C-O 117.609 -1.186 . . . . 0.0 112.517 157.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -65.88 -23.71 66.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 120.928 3.677 . . . . 0.0 120.928 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . 0.364 0.5 OUTLIER -83.11 138.72 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 N-CA-C 118.551 2.797 . . . . 0.0 118.551 -163.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.23 171.75 12.49 Favored 'General case' 0 CA--C 1.464 -2.343 0 C-N-CA 129.068 2.947 . . . . 0.0 109.597 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -78.55 123.65 27.3 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 120.091 -1.631 . . . . 0.0 111.159 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . 0.328 86.5 mtm-85 -151.42 -31.43 0.16 Allowed 'General case' 0 N--CA 1.534 3.76 0 C-N-CA 125.798 1.639 . . . . 0.0 111.459 175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 p -77.56 141.22 39.67 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 124.444 2.068 . . . . 0.0 114.916 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -46.67 140.55 5.82 Favored Pre-proline 0 CA--C 1.573 1.856 0 CA-C-N 112.838 -1.983 . . . . 0.0 113.145 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.01 -22.31 62.58 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 115.948 -2.235 . . . . 0.0 114.427 -173.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -125.76 -0.57 7.36 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -167.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -36.98 28.19 Favored 'General case' 0 N--CA 1.416 -2.132 0 O-C-N 124.875 1.359 . . . . 0.0 114.608 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.268 0.5 OUTLIER -67.58 -21.89 27.97 Favored 'Isoleucine or valine' 0 C--N 1.413 3.342 0 O-C-N 120.243 -1.535 . . . . 0.0 112.72 178.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.506 ' CD2' HG22 ' A' ' 96' ' ' ILE 0.271 12.7 t80 -87.88 -29.21 21.05 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 117.585 2.439 . . . . 0.0 117.585 -177.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.506 HG22 ' CD2' ' A' ' 95' ' ' TYR 0.329 3.4 tt -145.85 120.76 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.678 0 C-N-CA 126.219 1.808 . . . . 0.0 111.793 176.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.56 -38.6 90.71 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 128.062 2.545 . . . . 0.0 111.555 -173.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.57 26.31 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 122.533 2.424 . . . . 0.0 117.135 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -114.87 133.1 56.25 Favored 'General case' 0 C--O 1.209 -1.075 1 O-C-N 116.168 -4.083 . . . . 0.0 114.602 173.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.41 122.25 38.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 C-N-CA 131.573 3.949 . . . . 0.0 105.703 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.269 42.8 t -122.6 139.22 54.17 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -170.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 11.1 ttp -71.6 144.4 49.49 Favored 'General case' 0 C--O 1.274 2.365 0 O-C-N 116.478 -3.889 . . . . 0.0 112.342 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 35.9 mm . . . . . 0 C--O 1.248 1.005 0 C-N-CA 128.985 2.914 . . . . 0.0 106.983 -172.737 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 C--O 1.202 -1.426 0 CA-C-O 118.552 -0.737 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -82.8 147.56 28.31 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 169.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -77.77 -24.55 48.9 Favored 'General case' 0 N--CA 1.478 0.949 1 O-C-N 115.76 -4.337 . . . . 0.0 116.805 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.311 2.8 m -77.24 78.9 3.76 Favored 'General case' 0 N--CA 1.521 3.111 0 CA-C-N 121.045 1.748 . . . . 0.0 111.199 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -149.1 172.81 14.19 Favored 'General case' 0 C--N 1.366 1.318 0 O-C-N 126.343 2.277 . . . . 0.0 111.994 -172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -132.17 -177.59 15.0 Favored Glycine 0 C--O 1.277 2.826 0 C-N-CA 124.572 1.082 . . . . 0.0 113.225 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.376 0.8 OUTLIER -122.35 162.58 21.3 Favored 'General case' 0 C--O 1.274 2.376 0 C-N-CA 128.708 2.803 . . . . 0.0 115.795 178.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.252 5.3 tm-20 -69.18 -42.53 75.73 Favored 'General case' 0 C--O 1.272 2.248 0 O-C-N 117.284 -3.385 . . . . 0.0 109.74 172.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.311 0.5 OUTLIER -60.01 -40.73 90.28 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 172.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -51.34 -46.3 62.6 Favored 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.07 -2.894 . . . . 0.0 116.456 159.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . 0.261 13.9 t80 -59.94 -44.76 94.18 Favored 'General case' 0 C--N 1.393 2.468 0 O-C-N 125.381 1.676 . . . . 0.0 114.741 172.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -71.2 -34.09 70.54 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 120.468 -1.395 . . . . 0.0 109.093 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -66.12 -42.09 89.62 Favored 'General case' 0 N--CA 1.425 -1.688 0 O-C-N 120.348 -1.47 . . . . 0.0 114.605 168.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.75 -29.71 63.55 Favored 'General case' 0 C--O 1.174 -2.882 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -57.95 -56.64 19.34 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 127.705 2.402 . . . . 0.0 110.976 165.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.6 90.92 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 126.639 1.976 . . . . 0.0 109.409 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . 0.328 1.3 p -70.96 -20.0 21.55 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 123.928 3.058 . . . . 0.0 114.807 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 18' ' ' LEU . 91.1 mt -84.85 -39.19 18.58 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 122.095 2.225 . . . . 0.0 115.762 169.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -53.43 -46.77 69.95 Favored 'General case' 0 N--CA 1.531 3.579 0 O-C-N 119.725 -1.859 . . . . 0.0 107.356 165.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.75 -46.12 72.98 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.183 1.793 . . . . 0.0 114.441 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.68 -55.56 21.76 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 113.23 -1.805 . . . . 0.0 109.576 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -61.58 -30.79 70.9 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.94 -31.47 63.06 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.426 2.2 m -52.03 -42.28 62.94 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 128.312 2.645 . . . . 0.0 112.037 155.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.87 -40.59 79.18 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 125.366 2.507 . . . . 0.0 112.37 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -63.97 -49.06 74.02 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.219 -3.426 . . . . 0.0 109.771 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p -56.77 -44.26 81.62 Favored 'General case' 0 C--O 1.191 -2.0 0 O-C-N 124.985 1.428 . . . . 0.0 110.775 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -66.61 -39.92 88.59 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 112.716 -2.038 . . . . 0.0 114.229 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.75 -19.38 63.91 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 118.996 2.962 . . . . 0.0 118.996 164.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.4 mt -92.25 16.53 11.33 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 119.058 -2.276 . . . . 0.0 111.122 172.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.1 t -76.3 126.63 31.35 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 117.109 -3.494 . . . . 0.0 116.33 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.6 147.92 53.95 Favored Pre-proline 0 N--CA 1.425 -1.723 0 C-N-CA 126.432 1.893 . . . . 0.0 112.839 -170.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -75.35 170.14 20.96 Favored 'Trans proline' 0 N--CA 1.422 -2.712 0 O-C-N 116.681 -2.326 . . . . 0.0 111.201 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.74 -170.94 25.49 Favored Glycine 2 CA--C 1.601 5.453 0 O-C-N 116.438 -3.914 . . . . 0.0 115.091 161.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.13 160.01 32.21 Favored 'Trans proline' 0 C--N 1.3 -1.981 1 C-N-CA 127.221 5.281 . . . . 0.0 111.43 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.87 160.55 14.75 Favored Glycine 0 C--O 1.252 1.268 0 C-N-CA 128.634 3.016 . . . . 0.0 113.45 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.291 39.2 mt -60.6 158.04 13.23 Favored 'General case' 1 N--CA 1.556 4.842 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 161.235 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.29 170.23 26.7 Favored Glycine 1 C--O 1.302 4.359 0 C-N-CA 126.907 2.194 . . . . 0.0 117.737 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -54.68 159.5 8.77 Favored 'Trans proline' 0 N--CA 1.482 0.837 0 C-N-CA 123.282 2.654 . . . . 0.0 112.51 -173.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.273 12.6 p30 -66.75 -20.39 65.95 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -77.86 -2.05 34.72 Favored 'General case' 0 N--CA 1.488 1.459 1 C-N-CA 132.971 4.508 . . . . 0.0 116.1 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -146.6 -4.02 0.6 Allowed 'General case' 0 CA--C 1.461 -2.445 0 C-N-CA 128.237 2.615 . . . . 0.0 115.988 172.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.253 2.1 m -125.98 134.22 51.56 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 117.342 -3.349 . . . . 0.0 112.267 -175.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.68 83.57 4.83 Favored 'General case' 0 CA--C 1.605 3.076 0 O-C-N 119.581 -1.949 . . . . 0.0 114.134 -169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.83 160.9 5.31 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-O 127.293 3.425 . . . . 0.0 110.524 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.57 155.07 21.87 Favored 'General case' 0 C--N 1.374 1.649 0 O-C-N 116.927 -3.608 . . . . 0.0 107.488 -173.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -173.11 166.76 4.96 Favored 'General case' 0 N--CA 1.534 3.729 0 O-C-N 116.679 -3.763 . . . . 0.0 109.741 149.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.38 156.95 37.82 Favored 'General case' 0 N--CA 1.414 -2.258 0 C-N-CA 126.071 1.748 . . . . 0.0 108.876 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 p -159.76 -16.34 0.06 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 119.371 3.1 . . . . 0.0 119.371 168.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.9 mt 53.79 40.78 0.79 Allowed Pre-proline 0 CA--C 1.579 2.09 1 C-N-CA 133.84 4.856 . . . . 0.0 120.976 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.64 168.95 23.1 Favored 'Trans proline' 0 N--CA 1.426 -2.448 0 N-CA-C 118.572 2.489 . . . . 0.0 118.572 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.38 171.73 43.59 Favored Glycine 0 CA--C 1.546 2.022 0 O-C-N 125.423 1.702 . . . . 0.0 115.856 156.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.14 139.97 49.88 Favored 'General case' 0 N--CA 1.425 -1.701 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 -174.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -162.65 119.67 1.98 Allowed 'General case' 0 C--O 1.277 2.524 0 O-C-N 125.504 1.753 . . . . 0.0 108.986 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -77.93 -7.99 57.5 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-N 112.83 -1.986 . . . . 0.0 112.504 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -86.2 -38.15 17.95 Favored 'General case' 0 C--O 1.165 -3.393 0 CA-C-O 115.93 -1.986 . . . . 0.0 106.605 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m -69.24 -41.44 76.97 Favored 'General case' 0 C--O 1.203 -1.366 0 C-N-CA 129.326 3.05 . . . . 0.0 108.265 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.92 -35.31 80.75 Favored 'General case' 0 N--CA 1.52 3.069 0 O-C-N 120.668 -1.27 . . . . 0.0 112.051 169.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 49.6 ttp -70.56 -35.74 73.24 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 128.61 2.764 . . . . 0.0 109.292 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . 0.459 3.9 m-85 -73.37 -17.0 61.33 Favored 'General case' 0 C--N 1.376 1.732 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 172.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.9 mt -82.5 -25.31 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 125.904 2.003 . . . . 0.0 115.574 169.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.1 mt -63.11 -51.15 67.69 Favored 'General case' 0 C--O 1.185 -2.331 0 CA-C-O 123.748 1.737 . . . . 0.0 108.972 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.552 24.8 t80 -52.96 -26.75 16.13 Favored 'General case' 0 C--O 1.282 2.767 0 N-CA-C 119.108 3.003 . . . . 0.0 119.108 160.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.471 0.3 OUTLIER -77.48 -31.9 18.12 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.921 0 N-CA-C 119.779 3.252 . . . . 0.0 119.779 164.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 39.7 mtm -69.7 -24.85 63.64 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-O 125.496 2.57 . . . . 0.0 111.435 173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.345 72.6 t80 -61.69 -71.73 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 162.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -45.86 -32.94 2.87 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-O 125.189 2.423 . . . . 0.0 116.121 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.36 -57.77 10.85 Favored 'General case' 0 CA--C 1.603 2.994 0 CA-C-N 112.645 -2.07 . . . . 0.0 115.411 169.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.96 64.8 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 120.325 1.42 . . . . 0.0 114.25 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.84 -37.27 54.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-O 116.307 -1.806 . . . . 0.0 106.503 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 1.7 m -79.17 -14.3 59.18 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.4 t -72.96 -32.37 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 125.071 1.482 . . . . 0.0 108.289 162.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.72 -42.88 37.71 Favored Glycine 0 CA--C 1.573 3.685 1 O-C-N 115.896 -4.253 . . . . 0.0 108.737 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 20.0 m -64.85 -27.56 68.95 Favored 'General case' 0 CA--C 1.487 -1.476 1 CA-C-N 107.463 -4.368 . . . . 0.0 109.636 -176.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 tp -65.16 -43.17 92.66 Favored 'General case' 0 C--N 1.391 2.39 0 O-C-N 120.989 -1.069 . . . . 0.0 111.955 166.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.284 27.4 mt -61.08 -51.4 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.685 0 CA-C-O 115.461 -2.209 . . . . 0.0 109.811 171.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.58 -26.46 67.12 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 123.68 1.705 . . . . 0.0 113.554 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.427 ' HA2' ' HB2' ' A' ' 82' ' ' SER . . . -56.01 -40.36 82.14 Favored Glycine 0 N--CA 1.479 1.558 0 CA-C-N 113.359 -1.746 . . . . 0.0 115.594 169.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -79.51 -40.21 30.18 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.4 p -81.34 -22.32 38.53 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 119.237 3.051 . . . . 0.0 119.237 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -134.78 -49.42 0.76 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 118.385 2.735 . . . . 0.0 118.385 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.427 ' HB2' ' HA2' ' A' ' 78' ' ' GLY . 18.8 m -80.21 -25.06 39.82 Favored 'General case' 0 C--N 1.368 1.391 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -149.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -51.32 143.76 10.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 171.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -79.02 50.6 1.05 Allowed 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.101 1.905 . . . . 0.0 112.553 -166.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.19 161.34 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 128.168 2.587 . . . . 0.0 107.752 170.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.391 66.8 m-20 -77.95 149.57 34.12 Favored 'General case' 0 N--CA 1.524 3.258 0 N-CA-C 119.007 2.966 . . . . 0.0 119.007 -170.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -70.49 146.79 50.02 Favored 'General case' 0 C--O 1.201 -1.467 0 O-C-N 118.641 -2.537 . . . . 0.0 109.816 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.06 32.78 2.63 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 125.413 2.53 . . . . 0.0 116.154 174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . 0.279 5.3 p -146.22 135.45 22.8 Favored 'General case' 0 N--CA 1.536 3.856 0 CA-C-N 110.466 -3.061 . . . . 0.0 114.41 -160.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -61.33 160.13 26.0 Favored Pre-proline 0 N--CA 1.506 2.347 0 O-C-N 117.742 -3.099 . . . . 0.0 116.003 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -61.92 -22.9 75.21 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 CA-C-O 124.584 1.827 . . . . 0.0 113.969 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.516 0.5 OUTLIER -70.62 16.89 0.07 Allowed 'General case' 0 CA--C 1.458 -2.561 0 C-N-CA 128.196 2.598 . . . . 0.0 116.756 170.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -42.13 -40.45 2.33 Favored 'General case' 0 C--N 1.399 2.732 0 CA-C-O 112.028 -3.844 . . . . 0.0 111.014 -165.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.42 -22.26 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.99 0 O-C-N 127.227 2.829 . . . . 0.0 110.301 -172.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -89.69 -29.39 18.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 117.691 -3.131 . . . . 0.0 113.494 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.1 mm -60.23 124.27 14.28 Favored 'Isoleucine or valine' 0 C--O 1.168 -3.22 0 C-N-CA 126.376 1.87 . . . . 0.0 107.651 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.92 -69.91 0.22 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 119.175 -2.203 . . . . 0.0 113.54 168.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -126.49 -33.36 2.57 Favored 'General case' 0 N--CA 1.413 -2.292 1 N-CA-C 123.067 4.469 . . . . 0.0 123.067 172.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -58.65 122.19 12.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -162.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.1 m -65.47 165.67 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 C-N-CA 129.332 3.053 . . . . 0.0 114.274 167.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.0 t -152.79 135.34 15.21 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 124.963 2.316 . . . . 0.0 111.093 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -115.93 30.23 7.48 Favored 'General case' 0 CA--C 1.599 2.854 0 CA-C-N 112.386 -2.188 . . . . 0.0 108.912 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.4 mm . . . . . 0 N--CA 1.507 2.416 0 CA-C-O 124.804 2.24 . . . . 0.0 110.576 176.406 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.293 36.7 ttm . . . . . 0 CA--C 1.547 0.829 0 CA-C-O 117.176 -1.392 . . . . 0.0 113.384 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.19 164.41 24.97 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 113.212 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -72.68 -22.96 60.83 Favored 'General case' 0 N--CA 1.409 -2.507 0 C-N-CA 130.263 3.425 . . . . 0.0 109.273 171.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER -85.99 162.26 18.59 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-N 122.64 2.473 . . . . 0.0 109.572 -170.006 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.85 144.8 34.66 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.98 1.312 . . . . 0.0 112.836 -169.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.62 119.01 1.75 Allowed Glycine 0 CA--C 1.536 1.381 0 CA-C-N 111.862 -2.426 . . . . 0.0 110.783 -172.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -64.61 154.92 34.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 C-N-CA 124.054 0.941 . . . . 0.0 110.624 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -49.54 -49.3 46.7 Favored 'General case' 0 CA--C 1.614 3.439 0 CA-C-O 124.85 2.262 . . . . 0.0 110.145 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.351 0.1 OUTLIER -57.08 -21.53 32.48 Favored 'General case' 0 N--CA 1.512 2.673 0 N-CA-C 119.77 3.248 . . . . 0.0 119.77 173.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -83.76 -47.57 11.02 Favored 'General case' 0 C--O 1.191 -2.022 0 C-N-CA 128.36 2.664 . . . . 0.0 109.54 165.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -58.71 -28.1 65.5 Favored 'General case' 0 C--N 1.388 2.256 0 O-C-N 118.073 -2.892 . . . . 0.0 111.363 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -65.26 -26.72 68.22 Favored 'General case' 0 C--O 1.267 2.012 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 163.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 t -76.08 -48.14 21.92 Favored 'General case' 0 C--O 1.262 1.758 0 CA-C-O 115.829 -2.034 . . . . 0.0 111.614 166.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -47.78 -38.75 16.32 Favored 'General case' 0 C--N 1.391 2.388 0 O-C-N 126.217 2.198 . . . . 0.0 111.321 173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -66.74 -43.95 82.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.468 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -54.28 28.72 Favored 'General case' 0 CA--C 1.495 -1.142 0 C-N-CA 124.443 1.097 . . . . 0.0 110.316 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.6 t -47.29 -39.06 5.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 115.955 -1.974 . . . . 0.0 114.784 167.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.33 -30.46 48.18 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.805 2.093 . . . . 0.0 114.961 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -72.82 -28.78 62.76 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 120.414 1.461 . . . . 0.0 113.972 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.99 76.83 Favored 'General case' 0 N--CA 1.517 2.923 0 C-N-CA 129.413 3.085 . . . . 0.0 110.926 162.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.35 -33.25 64.99 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.546 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.17 -24.43 37.55 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 122.078 2.217 . . . . 0.0 107.908 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -61.78 1.84 Allowed 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 118.849 2.907 . . . . 0.0 118.849 158.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . 0.409 0.2 OUTLIER -35.68 -28.79 0.01 OUTLIER 'General case' 0 C--O 1.261 1.707 1 N-CA-C 123.608 4.669 . . . . 0.0 123.608 157.624 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.274 34.3 mt -87.85 -51.53 5.79 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 114.315 -2.755 . . . . 0.0 115.131 170.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.13 -26.65 67.54 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-O 116.655 -1.64 . . . . 0.0 111.433 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.9 p -59.12 -40.99 87.12 Favored 'General case' 0 C--N 1.244 -3.987 0 CA-C-N 121.914 2.143 . . . . 0.0 115.739 167.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -67.01 -45.18 78.33 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 116.854 -1.546 . . . . 0.0 112.033 169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.3 tp -61.38 -39.54 91.03 Favored 'General case' 0 C--N 1.28 -2.419 0 C-N-CA 115.851 -2.339 . . . . 0.0 115.8 173.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.17 -34.56 71.06 Favored 'General case' 0 CA--C 1.584 2.269 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . 0.253 35.3 t -27.63 106.47 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 1 N-CA-C 123.63 4.678 . . . . 0.0 123.63 -179.905 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -158.87 135.48 6.57 Favored Pre-proline 0 C--O 1.2 -1.52 0 C-N-CA 130.632 3.573 . . . . 0.0 115.304 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . 0.302 76.2 Cg_exo -63.2 140.79 79.65 Favored 'Trans proline' 0 N--CA 1.424 -2.596 0 CA-C-N 123.517 2.292 . . . . 0.0 113.794 -166.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -164.21 -165.21 21.05 Favored Glycine 2 N--CA 1.521 4.31 0 C-N-CA 117.889 -2.101 . . . . 0.0 113.338 149.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . 0.427 4.0 Cg_exo -71.82 -42.76 1.51 Allowed 'Trans proline' 0 C--O 1.279 2.569 0 O-C-N 127.3 3.263 . . . . 0.0 115.095 -170.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -165.9 24.0 Favored Glycine 1 N--CA 1.532 5.043 0 CA-C-O 124.169 1.983 . . . . 0.0 115.688 -177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 37' ' ' LEU . 16.3 mt -90.64 130.84 36.61 Favored 'General case' 0 N--CA 1.52 3.057 0 O-C-N 117.644 -3.268 . . . . 0.0 105.07 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.11 157.19 8.1 Favored Glycine 1 CA--C 1.593 4.907 0 O-C-N 119.239 -2.163 . . . . 0.0 111.234 -167.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -76.85 140.35 20.49 Favored 'Trans proline' 0 N--CA 1.506 2.249 0 CA-C-O 114.088 -2.547 . . . . 0.0 111.84 -158.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -138.1 -17.42 1.21 Allowed 'General case' 1 N--CA 1.378 -4.037 0 O-C-N 127.226 2.829 . . . . 0.0 116.366 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -123.49 7.01 8.93 Favored 'General case' 1 CA--C 1.629 4.017 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 -171.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -89.83 21.25 3.67 Favored 'General case' 0 C--O 1.181 -2.515 0 CA-C-N 112.491 -2.141 . . . . 0.0 112.628 -158.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.0 t -56.82 162.94 2.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 118.547 -2.596 . . . . 0.0 115.106 164.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -66.93 157.93 32.03 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -61.71 119.61 9.05 Favored 'General case' 0 C--N 1.286 -2.175 0 C-N-CA 125.511 1.525 . . . . 0.0 114.997 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -63.92 -13.65 47.24 Favored 'General case' 0 N--CA 1.433 -1.29 0 O-C-N 118.43 -2.669 . . . . 0.0 111.777 -171.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -68.18 151.45 46.97 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-N 123.31 2.777 . . . . 0.0 114.503 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.32 151.3 5.48 Favored 'General case' 0 N--CA 1.525 3.277 0 O-C-N 119.079 -2.263 . . . . 0.0 111.863 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -95.55 1.76 53.98 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.08 117.37 9.96 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 118.458 -2.651 . . . . 0.0 111.369 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -66.45 141.92 63.42 Favored 'Trans proline' 0 C--N 1.386 2.515 0 N-CA-C 119.223 2.74 . . . . 0.0 119.223 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.14 167.43 46.42 Favored Glycine 0 CA--C 1.559 2.829 0 O-C-N 118.92 -2.362 . . . . 0.0 108.63 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -177.65 3.18 Favored 'General case' 0 C--O 1.274 2.343 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -175.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -63.53 146.13 54.28 Favored 'General case' 0 C--O 1.161 -3.589 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.78 -25.22 67.15 Favored 'General case' 0 N--CA 1.393 -3.296 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -64.54 -22.85 67.08 Favored 'General case' 0 CA--C 1.581 2.153 0 O-C-N 117.89 -3.006 . . . . 0.0 115.077 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 p -75.86 -38.69 57.69 Favored 'General case' 0 N--CA 1.511 2.582 0 C-N-CA 126.386 1.875 . . . . 0.0 112.262 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -62.0 -27.19 68.69 Favored 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 163.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.21 -39.09 86.26 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 125.774 1.922 . . . . 0.0 111.914 169.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.12 -24.28 66.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 114.824 -2.513 . . . . 0.0 116.158 158.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -71.99 -33.43 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-N 122.939 2.609 . . . . 0.0 108.696 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -69.0 -44.53 72.64 Favored 'General case' 0 CA--C 1.488 -1.422 0 O-C-N 125.629 1.831 . . . . 0.0 113.52 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.05 -20.34 57.51 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 117.701 2.482 . . . . 0.0 117.701 163.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -91.99 -24.84 5.32 Favored 'Isoleucine or valine' 0 C--O 1.248 1.0 0 CA-C-O 113.722 -3.037 . . . . 0.0 105.955 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.252 53.0 mtt -70.74 -27.74 64.18 Favored 'General case' 0 N--CA 1.526 3.358 1 CA-C-N 126.662 4.301 . . . . 0.0 113.068 160.44 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -64.96 -52.44 56.29 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 119.527 -1.983 . . . . 0.0 115.489 160.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.88 -27.32 68.78 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 127.705 2.402 . . . . 0.0 109.076 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.503 5.9 t80 -54.88 -51.95 64.36 Favored 'General case' 0 C--N 1.4 2.761 1 O-C-N 113.388 -5.82 . . . . 0.0 119.715 162.29 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.34 71.84 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 168.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 C--O 1.28 2.699 0 C-N-CA 127.806 2.442 . . . . 0.0 111.285 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.415 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 2.6 m -69.58 -23.42 63.54 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 116.93 -3.606 . . . . 0.0 115.04 162.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.254 54.9 t -63.54 -42.24 95.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-O 125.088 2.375 . . . . 0.0 111.433 164.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.75 -44.29 95.03 Favored Glycine 0 N--CA 1.407 -3.28 1 O-C-N 115.342 -4.599 . . . . 0.0 110.876 174.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 71' ' ' THR . 41.3 m -70.74 -18.56 62.78 Favored 'General case' 0 CA--C 1.464 -2.347 0 O-C-N 125.684 1.461 . . . . 0.0 111.576 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.74 -46.8 14.89 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 122.661 2.482 . . . . 0.0 106.907 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 mt -54.46 -51.2 51.86 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.307 0 O-C-N 117.566 -3.209 . . . . 0.0 113.758 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.6 mt -63.68 -20.72 65.94 Favored 'General case' 0 C--N 1.4 2.772 0 O-C-N 118.671 -2.518 . . . . 0.0 110.273 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.37 -53.59 31.64 Favored Glycine 0 C--O 1.261 1.838 0 CA-C-O 118.791 -1.005 . . . . 0.0 115.002 159.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . 0.256 16.5 t80 -57.75 -39.93 78.55 Favored 'General case' 0 N--CA 1.434 -1.271 2 CA-C-N 125.322 4.561 . . . . 0.0 114.783 -179.626 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 p -75.33 -30.16 60.2 Favored 'General case' 0 C--O 1.262 1.724 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 172.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -111.63 -66.49 1.08 Allowed 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.5 p -70.62 -30.79 67.53 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 124.208 1.956 . . . . 0.0 114.621 -172.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -76.2 -9.47 58.65 Favored 'General case' 1 N--CA 1.544 4.264 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 171.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -67.92 29.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 119.632 3.197 . . . . 0.0 119.632 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 85' ' ' VAL 0.334 1.5 t -42.9 -40.32 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 -172.508 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.303 6.6 p30 -77.77 -0.44 27.04 Favored 'General case' 0 C--O 1.171 -3.042 1 N-CA-C 123.617 4.673 . . . . 0.0 123.617 174.56 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -113.67 148.59 36.06 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 117.863 -3.023 . . . . 0.0 107.585 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -95.98 -45.11 7.06 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-O 115.229 -2.319 . . . . 0.0 115.682 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . 0.288 6.3 p -172.06 157.79 4.45 Favored 'General case' 0 CA--C 1.459 -2.539 0 CA-C-N 123.673 2.942 . . . . 0.0 113.082 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.53 129.48 85.48 Favored Pre-proline 0 C--O 1.269 2.118 0 C-N-CA 126.306 1.842 . . . . 0.0 112.526 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -78.54 66.0 8.56 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -62.94 -16.94 61.1 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 119.384 -2.072 . . . . 0.0 114.801 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -73.49 -11.14 60.35 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.505 -1.372 . . . . 0.0 110.854 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . 0.793 1.0 OUTLIER -77.52 -9.74 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 173.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.327 1.6 p90 -151.86 -6.59 0.23 Allowed 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 -174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.87 160.0 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.864 0 CA-C-N 121.27 1.85 . . . . 0.0 108.922 158.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . 0.274 83.6 mttt -108.12 -10.23 15.47 Favored 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 113.325 -1.761 . . . . 0.0 109.224 -164.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -80.82 153.65 27.58 Favored 'General case' 0 CA--C 1.594 2.672 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.615 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -65.22 31.58 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.406 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.11 160.72 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 O-C-N 117.369 -3.332 . . . . 0.0 116.323 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 p -136.85 157.76 46.01 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.248 -1.532 . . . . 0.0 113.829 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 42.9 ttp -81.54 147.67 29.54 Favored 'General case' 0 C--O 1.26 1.622 0 C-N-CA 128.744 2.818 . . . . 0.0 110.466 -163.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.273 2.339 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.151 -172.427 . . . . . . . . 0 0 . 1 stop_ save_