data_6fvc_residue ############################ # Computer software used # ############################ 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 6fvc _Structure_validation_residue.Date_analyzed 2019-03-29 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 ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 122.958 1.361 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.255 2.8 p -100.29 161.16 13.79 Favored 'General case' 1 C--O 1.318 4.708 0 O-C-N 118.033 -2.917 . . . . 0.0 111.875 -170.31 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -72.38 -36.17 68.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.587 -1.32 . . . . 0.0 107.654 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.36 -41.57 85.02 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 118.1 -2.875 . . . . 0.0 111.27 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.36 -33.81 28.68 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 119.535 -1.978 . . . . 0.0 115.163 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.0 mt -72.58 -25.86 61.5 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 118.357 -2.714 . . . . 0.0 112.243 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.24 47.33 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.474 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -73.96 -31.44 63.02 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 122.107 2.23 . . . . 0.0 116.635 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.22 -41.36 83.89 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -54.45 -37.8 65.61 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 119.095 -2.253 . . . . 0.0 112.147 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -76.77 -17.35 59.1 Favored 'General case' 0 CA--C 1.625 3.85 0 C-N-CA 130.436 3.494 . . . . 0.0 115.838 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -97.96 -38.78 9.26 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 111.204 -2.725 . . . . 0.0 109.568 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 118.07 -2.894 . . . . 0.0 111.283 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 34.7 p30 -61.98 -23.5 66.44 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.369 -2.082 . . . . 0.0 116.559 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -98.94 -40.15 8.21 Favored 'General case' 0 C--O 1.262 1.743 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -135.27 136.6 41.78 Favored 'General case' 0 CA--C 1.477 -1.83 0 C-N-CA 127.476 2.31 . . . . 0.0 110.74 164.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.295 95.0 mtt180 -83.95 -3.41 57.94 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 122.78 2.536 . . . . 0.0 112.429 -175.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -132.22 -179.68 5.57 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 129.663 3.185 . . . . 0.0 112.854 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -146.94 167.58 23.61 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.604 -1.31 . . . . 0.0 109.587 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.5 p -121.99 162.25 21.46 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 127.815 2.446 . . . . 0.0 111.186 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -58.56 -53.67 55.74 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 116.431 -2.108 . . . . 0.0 113.378 -174.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 13.7 ptt85 -40.86 -34.72 0.42 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.834 2.902 . . . . 0.0 118.834 166.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.99 -38.72 14.21 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 118.649 -2.532 . . . . 0.0 112.161 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.301 32.7 mtm-85 -49.02 -47.66 44.35 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 128.15 2.58 . . . . 0.0 111.378 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.324 2.0 pp0? -60.9 -20.05 61.38 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.156 -1.59 . . . . 0.0 114.458 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.08 -50.25 20.4 Favored 'General case' 1 N--CA 1.546 4.326 0 CA-C-N 121.518 1.963 . . . . 0.0 115.53 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.4 -42.28 98.48 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 119.733 -1.854 . . . . 0.0 112.302 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -59.13 -36.89 76.01 Favored 'General case' 0 N--CA 1.516 2.867 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -78.67 -34.95 45.86 Favored 'General case' 0 N--CA 1.509 2.477 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 4.3 tp10 -84.42 -17.81 38.05 Favored 'General case' 0 N--CA 1.521 3.115 0 CA-C-O 113.606 -3.092 . . . . 0.0 113.131 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.76 2.11 4.43 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 125.433 1.708 . . . . 0.0 111.882 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.49 30.85 61.65 Favored Glycine 0 C--N 1.364 2.088 0 CA-C-N 121.258 1.845 . . . . 0.0 115.976 163.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -104.92 164.72 11.58 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 129.535 3.134 . . . . 0.0 108.244 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -88.26 157.84 18.65 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 127.047 2.717 . . . . 0.0 108.568 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.39 -38.08 76.59 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.55 62.74 Favored 'General case' 0 C--N 1.385 2.109 0 O-C-N 117.958 -2.964 . . . . 0.0 112.332 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.97 -36.2 83.2 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.552 2.741 . . . . 0.0 111.703 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -79.82 -44.19 23.01 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.235 0 O-C-N 119.416 -2.053 . . . . 0.0 106.862 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -57.59 -54.45 46.71 Favored 'General case' 0 CA--C 1.591 2.532 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.257 53.6 mt -60.69 -42.85 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.807 0 C-N-CA 124.228 1.011 . . . . 0.0 111.815 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -56.86 -46.3 81.88 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.852 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -71.65 -23.99 61.78 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-O 122.53 1.157 . . . . 0.0 113.874 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.01 49.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.495 -1.378 . . . . 0.0 112.631 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -83.46 -27.58 29.39 Favored 'General case' 0 C--O 1.274 2.387 0 CA-C-O 114.87 -2.491 . . . . 0.0 113.008 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.06 -35.15 66.62 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 121.632 2.015 . . . . 0.0 111.232 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 . . . . . 0 N--CA 1.485 1.281 0 O-C-N 117.498 -3.251 . . . . 0.0 110.754 171.507 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.534 3.746 0 CA-C-O 123.572 1.653 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -111.98 166.37 11.28 Favored 'General case' 0 CA--C 1.604 3.023 0 O-C-N 118.061 -2.9 . . . . 0.0 115.652 -172.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -71.58 -30.73 66.17 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 116.896 -1.921 . . . . 0.0 113.837 -170.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -67.76 -39.92 84.12 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.303 1.627 . . . . 0.0 111.812 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.268 64.5 mt-30 -68.27 -38.17 81.47 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.135 -1.603 . . . . 0.0 114.524 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.91 -46.67 62.11 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 111.663 -2.517 . . . . 0.0 113.794 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -44.12 11.66 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-O 111.829 -3.939 . . . . 0.0 112.53 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -71.37 -44.87 64.18 Favored 'General case' 0 N--CA 1.522 3.174 0 CA-C-N 122.105 2.229 . . . . 0.0 110.92 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 74.1 mt -53.51 -49.63 67.15 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.07 -27.13 65.24 Favored 'General case' 0 C--N 1.37 1.467 0 O-C-N 118.375 -2.703 . . . . 0.0 112.103 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -70.83 -38.88 73.26 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 128.222 2.609 . . . . 0.0 107.501 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -76.65 -37.82 55.61 Favored 'General case' 0 N--CA 1.415 -2.176 0 O-C-N 125.512 1.757 . . . . 0.0 113.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.505 2.281 0 CA-C-N 112.509 -2.132 . . . . 0.0 107.002 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.341 4.5 p30 -64.57 -21.96 66.84 Favored 'General case' 0 C--O 1.272 2.276 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -92.33 -42.22 9.93 Favored 'General case' 0 N--CA 1.386 -3.673 0 O-C-N 119.712 -1.867 . . . . 0.0 112.775 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -145.12 137.56 26.01 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 119.804 -1.81 . . . . 0.0 110.617 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -88.47 22.51 2.52 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -157.51 177.98 10.8 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 127.189 2.195 . . . . 0.0 107.007 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 mt -143.88 163.2 34.08 Favored 'General case' 0 N--CA 1.524 3.227 1 CA-C-N 126.023 4.01 . . . . 0.0 112.829 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -101.12 164.16 11.94 Favored 'General case' 0 CA--C 1.582 2.184 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.28 -49.17 64.64 Favored 'General case' 0 CA--C 1.621 3.676 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.72 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.76 -36.69 85.12 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 119.498 1.044 . . . . 0.0 113.124 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -76.17 -36.14 58.84 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 120.387 -1.445 . . . . 0.0 111.313 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.273 75.0 mtm-85 -50.34 -41.56 51.55 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.318 2.247 . . . . 0.0 114.824 167.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -37.72 76.42 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 118.114 -2.866 . . . . 0.0 108.448 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.62 -49.33 77.87 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.801 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.31 -37.14 84.45 Favored 'General case' 0 C--O 1.269 2.105 0 C-N-CA 126.193 1.797 . . . . 0.0 113.265 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -62.52 -42.58 99.61 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 125.001 1.32 . . . . 0.0 111.849 171.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -45.67 81.89 Favored 'General case' 1 N--CA 1.539 4.018 0 CA-C-N 123.177 2.717 . . . . 0.0 110.732 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.251 46.5 tp10 -86.89 -32.85 19.98 Favored 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 116.023 -1.941 . . . . 0.0 112.927 -162.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.45 -19.12 21.58 Favored 'General case' 0 CA--C 1.589 2.47 0 CA-C-O 113.283 -3.246 . . . . 0.0 115.283 166.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.57 50.52 4.98 Favored Glycine 0 C--N 1.393 3.703 0 O-C-N 125.951 2.032 . . . . 0.0 110.826 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -127.62 159.39 34.82 Favored 'General case' 0 N--CA 1.529 3.477 0 O-C-N 116.953 -3.675 . . . . 0.0 110.583 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.275 7.8 p30 -79.4 152.57 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 129.927 3.291 . . . . 0.0 115.114 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.33 -23.24 66.65 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.418 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.93 69.33 Favored 'General case' 0 N--CA 1.419 -1.986 0 O-C-N 124.35 1.031 . . . . 0.0 111.703 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -72.98 -26.8 61.48 Favored 'General case' 0 N--CA 1.527 3.419 0 O-C-N 118.437 -2.664 . . . . 0.0 113.666 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 mt -84.32 -35.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 127.332 2.895 . . . . 0.0 108.999 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -59.15 -27.45 65.66 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 129.738 3.215 . . . . 0.0 115.88 167.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.321 83.1 mt -92.95 -34.67 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 126.333 1.853 . . . . 0.0 106.28 -173.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 76.5 t90 -69.34 -44.98 70.54 Favored 'General case' 0 C--N 1.371 1.511 0 O-C-N 125.172 1.545 . . . . 0.0 111.97 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.99 -26.48 67.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 117.571 -3.206 . . . . 0.0 111.137 172.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.46 -59.19 2.84 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 120.243 1.383 . . . . 0.0 111.155 166.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -80.13 -11.09 59.78 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 117.606 -3.184 . . . . 0.0 107.269 -162.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.97 -29.91 68.23 Favored 'General case' 0 C--N 1.393 2.493 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 mtp-105 . . . . . 0 N--CA 1.442 -0.875 0 C-N-CA 115.472 -2.491 . . . . 0.0 116.251 -172.259 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 CA--C 1.62 3.663 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -76.95 166.44 23.32 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 124.475 2.083 . . . . 0.0 107.623 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -74.2 -42.68 59.44 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 130.304 3.441 . . . . 0.0 108.06 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.69 -40.8 96.0 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 119.309 -2.119 . . . . 0.0 109.929 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.7 -43.71 98.34 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.051 0.844 . . . . 0.0 110.323 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.251 19.4 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.47 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.49 61.95 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -166.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -98.09 -30.9 12.41 Favored 'General case' 0 N--CA 1.528 3.448 0 CA-C-N 122.815 2.552 . . . . 0.0 109.411 172.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.42 -47.82 69.28 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-O 127.452 3.501 . . . . 0.0 112.648 173.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -53.52 -29.03 34.58 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 114.828 -4.92 . . . . 0.0 116.413 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.25 79.9 mtt85 -99.99 -7.3 25.26 Favored 'General case' 0 C--N 1.325 -0.499 1 C-N-CA 133.135 4.574 . . . . 0.0 115.339 -174.514 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -91.92 -42.38 10.07 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.318 -1.489 . . . . 0.0 108.474 159.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 127.484 2.314 . . . . 0.0 111.795 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.255 53.0 p-10 -67.08 -13.93 62.41 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -101.74 -41.21 6.63 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 120.393 -1.442 . . . . 0.0 110.837 172.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -145.94 121.8 10.62 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 118.319 -2.738 . . . . 0.0 108.217 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -80.03 6.43 11.47 Favored 'General case' 0 N--CA 1.401 -2.899 0 C-N-CA 127.803 2.441 . . . . 0.0 114.762 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -135.25 160.96 36.76 Favored 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 128.863 2.865 . . . . 0.0 113.047 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -130.81 174.71 9.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.933 170.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.3 p -110.44 172.76 6.68 Favored 'General case' 0 C--N 1.375 1.715 1 C-N-CA 136.29 5.836 . . . . 0.0 116.009 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.12 -59.2 5.45 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 119.635 -1.916 . . . . 0.0 111.02 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -54.29 -32.8 57.27 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 128.453 2.701 . . . . 0.0 116.462 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -80.68 -37.16 31.31 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.714 2.406 . . . . 0.0 113.944 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -56.76 -32.32 65.49 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-N 120.462 1.483 . . . . 0.0 111.562 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.331 0.6 OUTLIER -68.12 -37.7 81.4 Favored 'General case' 0 C--N 1.393 2.472 0 C-N-CA 125.278 1.431 . . . . 0.0 112.776 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.67 -50.08 70.67 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 122.939 2.609 . . . . 0.0 111.35 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.56 -41.49 98.94 Favored 'General case' 0 C--O 1.178 -2.667 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 125.479 1.511 . . . . 0.0 114.813 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.8 m -79.67 -56.84 4.0 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.08 -22.12 55.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 118.373 -2.705 . . . . 0.0 111.828 -158.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.26 -3.77 15.22 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 119.041 -2.287 . . . . 0.0 112.49 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.65 38.41 16.93 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 120.258 1.39 . . . . 0.0 114.493 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -121.72 149.86 42.64 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.077 2.551 . . . . 0.0 114.996 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.47 163.84 24.42 Favored 'General case' 0 C--O 1.255 1.364 1 O-C-N 114.656 -5.027 . . . . 0.0 111.205 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.2 -34.84 77.0 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.804 -1.81 . . . . 0.0 109.449 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.34 71.46 Favored 'General case' 0 CA--C 1.557 1.232 0 O-C-N 118.875 -2.391 . . . . 0.0 113.537 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -76.78 -43.93 34.89 Favored 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 120.656 1.571 . . . . 0.0 111.316 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -54.3 -46.85 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.968 0 C-N-CA 126.798 2.039 . . . . 0.0 108.18 167.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -54.54 -38.26 66.38 Favored 'General case' 1 N--CA 1.547 4.406 0 CA-C-N 121.55 1.977 . . . . 0.0 112.836 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.22 -35.95 7.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 131.59 3.956 . . . . 0.0 112.53 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -56.0 -57.43 12.14 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 122.482 2.401 . . . . 0.0 113.773 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.57 -28.38 45.58 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 129.477 3.111 . . . . 0.0 112.485 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.23 -56.47 8.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.523 1.63 . . . . 0.0 113.087 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.1 -23.8 61.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.883 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -65.62 -34.97 79.46 Favored 'General case' 0 CA--C 1.586 2.328 0 O-C-N 117.319 -3.363 . . . . 0.0 113.23 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 . . . . . 0 N--CA 1.538 3.961 0 CA-C-O 116.997 -1.478 . . . . 0.0 108.153 166.421 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.505 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.51 26.04 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 118.195 -2.944 . . . . 0.0 116.903 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.9 143.41 38.17 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 116.816 -3.677 . . . . 0.0 111.34 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -153.01 138.5 17.68 Favored 'General case' 0 CA--C 1.605 3.094 0 CA-C-N 122.52 2.418 . . . . 0.0 114.208 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.272 22.0 pttm -86.06 14.35 6.38 Favored 'General case' 0 CA--C 1.585 2.305 0 N-CA-C 119.689 3.218 . . . . 0.0 119.689 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.75 141.5 14.42 Favored Pre-proline 0 CA--C 1.58 2.102 1 O-C-N 129.407 4.192 . . . . 0.0 111.973 177.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -58.13 141.33 96.41 Favored 'Trans proline' 0 C--O 1.19 -1.905 0 CA-C-N 119.964 1.023 . . . . 0.0 110.416 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.75 124.41 5.44 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 123.535 1.636 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -78.33 117.0 19.15 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.755 2.022 . . . . 0.0 113.599 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.88 56.66 0.14 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -138.19 167.28 22.15 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 131.224 3.81 . . . . 0.0 112.796 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.255 2.8 p -100.29 161.16 13.79 Favored 'General case' 1 C--O 1.318 4.708 0 O-C-N 118.033 -2.917 . . . . 0.0 111.875 -170.31 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -72.38 -36.17 68.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.587 -1.32 . . . . 0.0 107.654 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.36 -41.57 85.02 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 118.1 -2.875 . . . . 0.0 111.27 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.36 -33.81 28.68 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 119.535 -1.978 . . . . 0.0 115.163 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.0 mt -72.58 -25.86 61.5 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 118.357 -2.714 . . . . 0.0 112.243 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.24 47.33 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.474 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -73.96 -31.44 63.02 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 122.107 2.23 . . . . 0.0 116.635 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.22 -41.36 83.89 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -54.45 -37.8 65.61 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 119.095 -2.253 . . . . 0.0 112.147 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -76.77 -17.35 59.1 Favored 'General case' 0 CA--C 1.625 3.85 0 C-N-CA 130.436 3.494 . . . . 0.0 115.838 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -97.96 -38.78 9.26 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 111.204 -2.725 . . . . 0.0 109.568 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 118.07 -2.894 . . . . 0.0 111.283 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 34.7 p30 -61.98 -23.5 66.44 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.369 -2.082 . . . . 0.0 116.559 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -98.94 -40.15 8.21 Favored 'General case' 0 C--O 1.262 1.743 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -135.27 136.6 41.78 Favored 'General case' 0 CA--C 1.477 -1.83 0 C-N-CA 127.476 2.31 . . . . 0.0 110.74 164.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.295 95.0 mtt180 -83.95 -3.41 57.94 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 122.78 2.536 . . . . 0.0 112.429 -175.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -132.22 -179.68 5.57 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 129.663 3.185 . . . . 0.0 112.854 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -146.94 167.58 23.61 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.604 -1.31 . . . . 0.0 109.587 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.5 p -121.99 162.25 21.46 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 127.815 2.446 . . . . 0.0 111.186 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -58.56 -53.67 55.74 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 116.431 -2.108 . . . . 0.0 113.378 -174.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 13.7 ptt85 -40.86 -34.72 0.42 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.834 2.902 . . . . 0.0 118.834 166.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.99 -38.72 14.21 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 118.649 -2.532 . . . . 0.0 112.161 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.301 32.7 mtm-85 -49.02 -47.66 44.35 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 128.15 2.58 . . . . 0.0 111.378 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.324 2.0 pp0? -60.9 -20.05 61.38 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.156 -1.59 . . . . 0.0 114.458 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.08 -50.25 20.4 Favored 'General case' 1 N--CA 1.546 4.326 0 CA-C-N 121.518 1.963 . . . . 0.0 115.53 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.4 -42.28 98.48 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 119.733 -1.854 . . . . 0.0 112.302 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -59.13 -36.89 76.01 Favored 'General case' 0 N--CA 1.516 2.867 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -78.67 -34.95 45.86 Favored 'General case' 0 N--CA 1.509 2.477 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 4.3 tp10 -84.42 -17.81 38.05 Favored 'General case' 0 N--CA 1.521 3.115 0 CA-C-O 113.606 -3.092 . . . . 0.0 113.131 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.76 2.11 4.43 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 125.433 1.708 . . . . 0.0 111.882 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.49 30.85 61.65 Favored Glycine 0 C--N 1.364 2.088 0 CA-C-N 121.258 1.845 . . . . 0.0 115.976 163.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -104.92 164.72 11.58 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 129.535 3.134 . . . . 0.0 108.244 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -88.26 157.84 18.65 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 127.047 2.717 . . . . 0.0 108.568 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.39 -38.08 76.59 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.55 62.74 Favored 'General case' 0 C--N 1.385 2.109 0 O-C-N 117.958 -2.964 . . . . 0.0 112.332 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.97 -36.2 83.2 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.552 2.741 . . . . 0.0 111.703 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -79.82 -44.19 23.01 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.235 0 O-C-N 119.416 -2.053 . . . . 0.0 106.862 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -57.59 -54.45 46.71 Favored 'General case' 0 CA--C 1.591 2.532 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.257 53.6 mt -60.69 -42.85 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.807 0 C-N-CA 124.228 1.011 . . . . 0.0 111.815 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -56.86 -46.3 81.88 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.852 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -71.65 -23.99 61.78 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-O 122.53 1.157 . . . . 0.0 113.874 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.01 49.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.495 -1.378 . . . . 0.0 112.631 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -83.46 -27.58 29.39 Favored 'General case' 0 C--O 1.274 2.387 0 CA-C-O 114.87 -2.491 . . . . 0.0 113.008 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.06 -35.15 66.62 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 121.632 2.015 . . . . 0.0 111.232 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -59.18 -48.85 80.09 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 117.498 -3.251 . . . . 0.0 110.754 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.82 -1.66 23.18 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 126.988 2.68 . . . . 0.0 113.076 -169.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -96.95 -26.28 15.1 Favored 'General case' 0 CA--C 1.476 -1.882 0 O-C-N 120.553 -1.342 . . . . 0.0 109.453 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.4 mt -108.04 95.21 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 129.141 2.976 . . . . 0.0 109.127 -174.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -91.18 -21.96 20.88 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 127.536 2.334 . . . . 0.0 115.127 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -92.95 130.44 38.53 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 123.405 2.82 . . . . 0.0 111.477 162.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.4 p -139.01 -36.47 0.54 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 110.675 -2.966 . . . . 0.0 116.954 155.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.59 149.18 33.24 Favored Glycine 0 C--O 1.195 -2.305 0 CA-C-N 119.532 1.06 . . . . 0.0 112.714 162.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.261 1.699 0 C-N-CA 126.718 2.007 . . . . 0.0 112.628 -174.098 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.194 -2.371 0 CA-C-O 113.575 -3.903 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.16 112.28 18.37 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-N 122.359 3.079 . . . . 0.0 107.306 170.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 141.72 30.09 Favored 'General case' 0 N--CA 1.394 -3.236 0 CA-C-N 120.898 1.681 . . . . 0.0 108.443 -174.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -99.41 145.83 26.97 Favored 'General case' 0 C--O 1.166 -3.291 0 O-C-N 118.959 -2.338 . . . . 0.0 111.903 166.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -89.83 152.3 21.35 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 118.402 -2.686 . . . . 0.0 108.772 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.54 133.47 9.53 Favored Pre-proline 0 C--O 1.19 -2.064 0 O-C-N 125.59 1.806 . . . . 0.0 113.395 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.71 124.27 9.14 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 125.194 3.929 . . . . 0.0 112.953 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.93 143.8 30.75 Favored 'General case' 0 CA--C 1.471 -2.064 0 C-N-CA 129.856 3.262 . . . . 0.0 116.944 171.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -61.16 132.86 55.06 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-O 121.949 0.881 . . . . 0.0 112.285 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.52 50.67 2.05 Favored 'General case' 0 C--N 1.387 2.23 0 CA-C-O 126.199 2.904 . . . . 0.0 115.991 -171.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -130.55 168.25 17.37 Favored 'General case' 0 N--CA 1.534 3.746 0 C-N-CA 127.085 2.154 . . . . 0.0 108.403 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -111.98 166.37 11.28 Favored 'General case' 0 CA--C 1.604 3.023 0 O-C-N 118.061 -2.9 . . . . 0.0 115.652 -172.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -71.58 -30.73 66.17 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 116.896 -1.921 . . . . 0.0 113.837 -170.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -67.76 -39.92 84.12 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.303 1.627 . . . . 0.0 111.812 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.268 64.5 mt-30 -68.27 -38.17 81.47 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.135 -1.603 . . . . 0.0 114.524 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.91 -46.67 62.11 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 111.663 -2.517 . . . . 0.0 113.794 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -44.12 11.66 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-O 111.829 -3.939 . . . . 0.0 112.53 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -71.37 -44.87 64.18 Favored 'General case' 0 N--CA 1.522 3.174 0 CA-C-N 122.105 2.229 . . . . 0.0 110.92 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' CH2' ' A' ' 51' ' ' TRP . 74.1 mt -53.51 -49.63 67.15 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.07 -27.13 65.24 Favored 'General case' 0 C--N 1.37 1.467 0 O-C-N 118.375 -2.703 . . . . 0.0 112.103 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -70.83 -38.88 73.26 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 128.222 2.609 . . . . 0.0 107.501 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -76.65 -37.82 55.61 Favored 'General case' 0 N--CA 1.415 -2.176 0 O-C-N 125.512 1.757 . . . . 0.0 113.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.505 2.281 0 CA-C-N 112.509 -2.132 . . . . 0.0 107.002 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.341 4.5 p30 -64.57 -21.96 66.84 Favored 'General case' 0 C--O 1.272 2.276 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -92.33 -42.22 9.93 Favored 'General case' 0 N--CA 1.386 -3.673 0 O-C-N 119.712 -1.867 . . . . 0.0 112.775 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -145.12 137.56 26.01 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 119.804 -1.81 . . . . 0.0 110.617 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -88.47 22.51 2.52 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -157.51 177.98 10.8 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 127.189 2.195 . . . . 0.0 107.007 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 mt -143.88 163.2 34.08 Favored 'General case' 0 N--CA 1.524 3.227 1 CA-C-N 126.023 4.01 . . . . 0.0 112.829 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -101.12 164.16 11.94 Favored 'General case' 0 CA--C 1.582 2.184 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.28 -49.17 64.64 Favored 'General case' 0 CA--C 1.621 3.676 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.72 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.76 -36.69 85.12 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 119.498 1.044 . . . . 0.0 113.124 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -76.17 -36.14 58.84 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 120.387 -1.445 . . . . 0.0 111.313 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.273 75.0 mtm-85 -50.34 -41.56 51.55 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.318 2.247 . . . . 0.0 114.824 167.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -37.72 76.42 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 118.114 -2.866 . . . . 0.0 108.448 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.62 -49.33 77.87 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.801 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.31 -37.14 84.45 Favored 'General case' 0 C--O 1.269 2.105 0 C-N-CA 126.193 1.797 . . . . 0.0 113.265 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -62.52 -42.58 99.61 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 125.001 1.32 . . . . 0.0 111.849 171.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -45.67 81.89 Favored 'General case' 1 N--CA 1.539 4.018 0 CA-C-N 123.177 2.717 . . . . 0.0 110.732 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.251 46.5 tp10 -86.89 -32.85 19.98 Favored 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 116.023 -1.941 . . . . 0.0 112.927 -162.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.45 -19.12 21.58 Favored 'General case' 0 CA--C 1.589 2.47 0 CA-C-O 113.283 -3.246 . . . . 0.0 115.283 166.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.57 50.52 4.98 Favored Glycine 0 C--N 1.393 3.703 0 O-C-N 125.951 2.032 . . . . 0.0 110.826 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -127.62 159.39 34.82 Favored 'General case' 0 N--CA 1.529 3.477 0 O-C-N 116.953 -3.675 . . . . 0.0 110.583 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.275 7.8 p30 -79.4 152.57 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 129.927 3.291 . . . . 0.0 115.114 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.33 -23.24 66.65 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.418 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.93 69.33 Favored 'General case' 0 N--CA 1.419 -1.986 0 O-C-N 124.35 1.031 . . . . 0.0 111.703 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -72.98 -26.8 61.48 Favored 'General case' 0 N--CA 1.527 3.419 0 O-C-N 118.437 -2.664 . . . . 0.0 113.666 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 mt -84.32 -35.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 127.332 2.895 . . . . 0.0 108.999 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -59.15 -27.45 65.66 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 129.738 3.215 . . . . 0.0 115.88 167.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.321 83.1 mt -92.95 -34.67 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 126.333 1.853 . . . . 0.0 106.28 -173.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 19' ' ' LEU . 76.5 t90 -69.34 -44.98 70.54 Favored 'General case' 0 C--N 1.371 1.511 0 O-C-N 125.172 1.545 . . . . 0.0 111.97 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.99 -26.48 67.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 117.571 -3.206 . . . . 0.0 111.137 172.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.46 -59.19 2.84 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 120.243 1.383 . . . . 0.0 111.155 166.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -80.13 -11.09 59.78 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 117.606 -3.184 . . . . 0.0 107.269 -162.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.97 -29.91 68.23 Favored 'General case' 0 C--N 1.393 2.493 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 mtp-105 -67.09 -35.45 79.84 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 115.472 -2.491 . . . . 0.0 116.251 -172.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -27.53 69.18 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 125.316 1.635 . . . . 0.0 114.919 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.32 -10.99 59.46 Favored 'General case' 0 C--O 1.289 3.141 0 N-CA-C 117.276 2.324 . . . . 0.0 117.276 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mt -124.44 36.34 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 127.507 2.323 . . . . 0.0 117.145 167.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -69.02 -31.24 69.92 Favored 'General case' 0 CA--C 1.586 2.346 0 CA-C-O 115.405 -2.236 . . . . 0.0 106.667 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -70.17 134.77 48.46 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 127.027 2.131 . . . . 0.0 114.706 166.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 p -141.75 -25.22 0.69 Allowed 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.381 3.072 . . . . 0.0 112.518 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.54 -150.91 5.22 Favored Glycine 0 N--CA 1.486 2.022 0 CA-C-N 122.331 2.332 . . . . 0.0 118.357 170.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 1 C--N 1.431 4.119 0 C-N-CA 130.876 3.671 . . . . 0.0 105.672 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.939 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.9 2.51 Favored 'General case' 0 C--O 1.263 1.806 0 CA-C-N 112.275 -1.962 . . . . 0.0 110.642 -160.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.6 mtp -137.47 139.19 40.43 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 128.03 2.532 . . . . 0.0 111.965 -174.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -140.31 133.04 28.96 Favored 'General case' 0 C--O 1.188 -2.18 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.348 8.0 ptpt -69.06 -3.25 12.44 Favored 'General case' 0 N--CA 1.535 3.824 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.6 158.0 27.06 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 122.614 2.461 . . . . 0.0 109.949 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -73.21 120.51 6.61 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.678 1.585 . . . . 0.0 111.778 167.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -112.5 133.83 54.35 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 127.695 3.122 . . . . 0.0 117.558 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.27 75.5 p -65.85 130.07 41.98 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-O 115.727 -2.082 . . . . 0.0 110.124 156.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.82 56.67 2.78 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 123.584 2.902 . . . . 0.0 111.092 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.94 138.44 45.49 Favored 'General case' 0 CA--C 1.62 3.663 1 C-N-CA 133.401 4.68 . . . . 0.0 109.986 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -76.95 166.44 23.32 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 124.475 2.083 . . . . 0.0 107.623 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -74.2 -42.68 59.44 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 130.304 3.441 . . . . 0.0 108.06 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.69 -40.8 96.0 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 119.309 -2.119 . . . . 0.0 109.929 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.7 -43.71 98.34 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.051 0.844 . . . . 0.0 110.323 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.251 19.4 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.47 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.49 61.95 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -166.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -98.09 -30.9 12.41 Favored 'General case' 0 N--CA 1.528 3.448 0 CA-C-N 122.815 2.552 . . . . 0.0 109.411 172.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.42 -47.82 69.28 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-O 127.452 3.501 . . . . 0.0 112.648 173.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -53.52 -29.03 34.58 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 114.828 -4.92 . . . . 0.0 116.413 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.25 79.9 mtt85 -99.99 -7.3 25.26 Favored 'General case' 0 C--N 1.325 -0.499 1 C-N-CA 133.135 4.574 . . . . 0.0 115.339 -174.514 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -91.92 -42.38 10.07 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.318 -1.489 . . . . 0.0 108.474 159.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 127.484 2.314 . . . . 0.0 111.795 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.255 53.0 p-10 -67.08 -13.93 62.41 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -101.74 -41.21 6.63 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 120.393 -1.442 . . . . 0.0 110.837 172.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -145.94 121.8 10.62 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 118.319 -2.738 . . . . 0.0 108.217 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -80.03 6.43 11.47 Favored 'General case' 0 N--CA 1.401 -2.899 0 C-N-CA 127.803 2.441 . . . . 0.0 114.762 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -135.25 160.96 36.76 Favored 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 128.863 2.865 . . . . 0.0 113.047 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -130.81 174.71 9.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.933 170.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.3 p -110.44 172.76 6.68 Favored 'General case' 0 C--N 1.375 1.715 1 C-N-CA 136.29 5.836 . . . . 0.0 116.009 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -57.12 -59.2 5.45 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 119.635 -1.916 . . . . 0.0 111.02 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -54.29 -32.8 57.27 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 128.453 2.701 . . . . 0.0 116.462 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -80.68 -37.16 31.31 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.714 2.406 . . . . 0.0 113.944 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -56.76 -32.32 65.49 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-N 120.462 1.483 . . . . 0.0 111.562 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.331 0.6 OUTLIER -68.12 -37.7 81.4 Favored 'General case' 0 C--N 1.393 2.472 0 C-N-CA 125.278 1.431 . . . . 0.0 112.776 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.67 -50.08 70.67 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 122.939 2.609 . . . . 0.0 111.35 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.56 -41.49 98.94 Favored 'General case' 0 C--O 1.178 -2.667 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 176.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 125.479 1.511 . . . . 0.0 114.813 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.8 m -79.67 -56.84 4.0 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.08 -22.12 55.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 118.373 -2.705 . . . . 0.0 111.828 -158.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.26 -3.77 15.22 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 119.041 -2.287 . . . . 0.0 112.49 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.65 38.41 16.93 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 120.258 1.39 . . . . 0.0 114.493 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -121.72 149.86 42.64 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.077 2.551 . . . . 0.0 114.996 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.47 163.84 24.42 Favored 'General case' 0 C--O 1.255 1.364 1 O-C-N 114.656 -5.027 . . . . 0.0 111.205 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.2 -34.84 77.0 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.804 -1.81 . . . . 0.0 109.449 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.34 71.46 Favored 'General case' 0 CA--C 1.557 1.232 0 O-C-N 118.875 -2.391 . . . . 0.0 113.537 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -76.78 -43.93 34.89 Favored 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 120.656 1.571 . . . . 0.0 111.316 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -54.3 -46.85 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.968 0 C-N-CA 126.798 2.039 . . . . 0.0 108.18 167.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -54.54 -38.26 66.38 Favored 'General case' 1 N--CA 1.547 4.406 0 CA-C-N 121.55 1.977 . . . . 0.0 112.836 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.22 -35.95 7.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 131.59 3.956 . . . . 0.0 112.53 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -56.0 -57.43 12.14 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 122.482 2.401 . . . . 0.0 113.773 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.57 -28.38 45.58 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 129.477 3.111 . . . . 0.0 112.485 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.23 -56.47 8.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.523 1.63 . . . . 0.0 113.087 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.1 -23.8 61.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.883 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -65.62 -34.97 79.46 Favored 'General case' 0 CA--C 1.586 2.328 0 O-C-N 117.319 -3.363 . . . . 0.0 113.23 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -57.65 -33.24 68.08 Favored 'General case' 0 N--CA 1.538 3.961 0 CA-C-O 116.997 -1.478 . . . . 0.0 108.153 166.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.7 60.43 Favored 'General case' 0 C--O 1.275 2.442 0 CA-C-N 121.349 1.886 . . . . 0.0 112.491 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -83.28 -12.97 56.15 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.663 1.985 . . . . 0.0 114.117 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . 0.395 4.3 mt -134.85 59.7 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.183 -2.436 0 C-N-CA 125.047 1.339 . . . . 0.0 112.422 -171.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . 0.303 72.3 tttt -64.88 -37.59 88.13 Favored 'General case' 0 N--CA 1.427 -1.603 0 O-C-N 126.936 2.647 . . . . 0.0 112.151 -173.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -99.11 143.07 29.79 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 116.342 -1.79 . . . . 0.0 113.024 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.0 p -170.2 -22.04 0.02 OUTLIER 'General case' 0 C--O 1.267 1.974 0 O-C-N 128.146 3.404 . . . . 0.0 112.757 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.5 152.12 2.09 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 128.029 2.728 . . . . 0.0 113.325 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.377 1.786 0 O-C-N 119.818 -1.989 . . . . 0.0 115.264 171.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 122.958 1.361 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.255 2.8 p -100.29 161.16 13.79 Favored 'General case' 1 C--O 1.318 4.708 0 O-C-N 118.033 -2.917 . . . . 0.0 111.875 -170.31 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -72.38 -36.17 68.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.587 -1.32 . . . . 0.0 107.654 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.36 -41.57 85.02 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 118.1 -2.875 . . . . 0.0 111.27 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.36 -33.81 28.68 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 119.535 -1.978 . . . . 0.0 115.163 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.0 mt -72.58 -25.86 61.5 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 118.357 -2.714 . . . . 0.0 112.243 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.24 47.33 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.474 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -73.96 -31.44 63.02 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 122.107 2.23 . . . . 0.0 116.635 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.22 -41.36 83.89 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -54.45 -37.8 65.61 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 119.095 -2.253 . . . . 0.0 112.147 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -76.77 -17.35 59.1 Favored 'General case' 0 CA--C 1.625 3.85 0 C-N-CA 130.436 3.494 . . . . 0.0 115.838 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.611 ' HG3' HD21 ' A' ' 37' ' ' LEU . 72.4 mm-40 -97.96 -38.78 9.26 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 111.204 -2.725 . . . . 0.0 109.568 173.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 118.07 -2.894 . . . . 0.0 111.283 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 34.7 p30 -61.98 -23.5 66.44 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.369 -2.082 . . . . 0.0 116.559 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -98.94 -40.15 8.21 Favored 'General case' 0 C--O 1.262 1.743 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -135.27 136.6 41.78 Favored 'General case' 0 CA--C 1.477 -1.83 0 C-N-CA 127.476 2.31 . . . . 0.0 110.74 164.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.295 95.0 mtt180 -83.95 -3.41 57.94 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 122.78 2.536 . . . . 0.0 112.429 -175.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -132.22 -179.68 5.57 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 129.663 3.185 . . . . 0.0 112.854 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -146.94 167.58 23.61 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.604 -1.31 . . . . 0.0 109.587 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.5 p -121.99 162.25 21.46 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 127.815 2.446 . . . . 0.0 111.186 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 34' ' ' ARG . 40.6 mm-40 -58.56 -53.67 55.74 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 116.431 -2.108 . . . . 0.0 113.378 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 13.7 ptt85 -40.86 -34.72 0.42 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.834 2.902 . . . . 0.0 118.834 166.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.99 -38.72 14.21 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 118.649 -2.532 . . . . 0.0 112.161 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 31' ' ' GLU 0.301 32.7 mtm-85 -49.02 -47.66 44.35 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 128.15 2.58 . . . . 0.0 111.378 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.324 2.0 pp0? -60.9 -20.05 61.38 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.156 -1.59 . . . . 0.0 114.458 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.08 -50.25 20.4 Favored 'General case' 1 N--CA 1.546 4.326 0 CA-C-N 121.518 1.963 . . . . 0.0 115.53 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 22' ' ' GLU . 34.4 mt -61.4 -42.28 98.48 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 119.733 -1.854 . . . . 0.0 112.302 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -59.13 -36.89 76.01 Favored 'General case' 0 N--CA 1.516 2.867 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -78.67 -34.95 45.86 Favored 'General case' 0 N--CA 1.509 2.477 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 4.3 tp10 -84.42 -17.81 38.05 Favored 'General case' 0 N--CA 1.521 3.115 0 CA-C-O 113.606 -3.092 . . . . 0.0 113.131 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.76 2.11 4.43 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 125.433 1.708 . . . . 0.0 111.882 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.49 30.85 61.65 Favored Glycine 0 C--N 1.364 2.088 0 CA-C-N 121.258 1.845 . . . . 0.0 115.976 163.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -104.92 164.72 11.58 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 129.535 3.134 . . . . 0.0 108.244 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -88.26 157.84 18.65 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 127.047 2.717 . . . . 0.0 108.568 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.39 -38.08 76.59 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.55 62.74 Favored 'General case' 0 C--N 1.385 2.109 0 O-C-N 117.958 -2.964 . . . . 0.0 112.332 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.97 -36.2 83.2 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.552 2.741 . . . . 0.0 111.703 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -79.82 -44.19 23.01 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.235 0 O-C-N 119.416 -2.053 . . . . 0.0 106.862 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -57.59 -54.45 46.71 Favored 'General case' 0 CA--C 1.591 2.532 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.257 53.6 mt -60.69 -42.85 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.807 0 C-N-CA 124.228 1.011 . . . . 0.0 111.815 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -56.86 -46.3 81.88 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.852 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -71.65 -23.99 61.78 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-O 122.53 1.157 . . . . 0.0 113.874 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.01 49.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.495 -1.378 . . . . 0.0 112.631 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -83.46 -27.58 29.39 Favored 'General case' 0 C--O 1.274 2.387 0 CA-C-O 114.87 -2.491 . . . . 0.0 113.008 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.06 -35.15 66.62 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 121.632 2.015 . . . . 0.0 111.232 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 . . . . . 0 N--CA 1.485 1.281 0 O-C-N 117.498 -3.251 . . . . 0.0 110.754 171.507 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.534 3.746 0 CA-C-O 123.572 1.653 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -111.98 166.37 11.28 Favored 'General case' 0 CA--C 1.604 3.023 0 O-C-N 118.061 -2.9 . . . . 0.0 115.652 -172.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -71.58 -30.73 66.17 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 116.896 -1.921 . . . . 0.0 113.837 -170.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -67.76 -39.92 84.12 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.303 1.627 . . . . 0.0 111.812 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.268 64.5 mt-30 -68.27 -38.17 81.47 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.135 -1.603 . . . . 0.0 114.524 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.91 -46.67 62.11 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 111.663 -2.517 . . . . 0.0 113.794 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -44.12 11.66 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-O 111.829 -3.939 . . . . 0.0 112.53 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -71.37 -44.87 64.18 Favored 'General case' 0 N--CA 1.522 3.174 0 CA-C-N 122.105 2.229 . . . . 0.0 110.92 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.1 mt -53.51 -49.63 67.15 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.07 -27.13 65.24 Favored 'General case' 0 C--N 1.37 1.467 0 O-C-N 118.375 -2.703 . . . . 0.0 112.103 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -70.83 -38.88 73.26 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 128.222 2.609 . . . . 0.0 107.501 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -76.65 -37.82 55.61 Favored 'General case' 0 N--CA 1.415 -2.176 0 O-C-N 125.512 1.757 . . . . 0.0 113.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.505 2.281 0 CA-C-N 112.509 -2.132 . . . . 0.0 107.002 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.341 4.5 p30 -64.57 -21.96 66.84 Favored 'General case' 0 C--O 1.272 2.276 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -92.33 -42.22 9.93 Favored 'General case' 0 N--CA 1.386 -3.673 0 O-C-N 119.712 -1.867 . . . . 0.0 112.775 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -145.12 137.56 26.01 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 119.804 -1.81 . . . . 0.0 110.617 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -88.47 22.51 2.52 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -157.51 177.98 10.8 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 127.189 2.195 . . . . 0.0 107.007 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 mt -143.88 163.2 34.08 Favored 'General case' 0 N--CA 1.524 3.227 1 CA-C-N 126.023 4.01 . . . . 0.0 112.829 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -101.12 164.16 11.94 Favored 'General case' 0 CA--C 1.582 2.184 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.28 -49.17 64.64 Favored 'General case' 0 CA--C 1.621 3.676 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.72 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.76 -36.69 85.12 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 119.498 1.044 . . . . 0.0 113.124 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -76.17 -36.14 58.84 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 120.387 -1.445 . . . . 0.0 111.313 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.273 75.0 mtm-85 -50.34 -41.56 51.55 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.318 2.247 . . . . 0.0 114.824 167.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -37.72 76.42 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 118.114 -2.866 . . . . 0.0 108.448 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.62 -49.33 77.87 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.801 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.31 -37.14 84.45 Favored 'General case' 0 C--O 1.269 2.105 0 C-N-CA 126.193 1.797 . . . . 0.0 113.265 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -62.52 -42.58 99.61 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 125.001 1.32 . . . . 0.0 111.849 171.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -45.67 81.89 Favored 'General case' 1 N--CA 1.539 4.018 0 CA-C-N 123.177 2.717 . . . . 0.0 110.732 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.251 46.5 tp10 -86.89 -32.85 19.98 Favored 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 116.023 -1.941 . . . . 0.0 112.927 -162.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.45 -19.12 21.58 Favored 'General case' 0 CA--C 1.589 2.47 0 CA-C-O 113.283 -3.246 . . . . 0.0 115.283 166.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.57 50.52 4.98 Favored Glycine 0 C--N 1.393 3.703 0 O-C-N 125.951 2.032 . . . . 0.0 110.826 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -127.62 159.39 34.82 Favored 'General case' 0 N--CA 1.529 3.477 0 O-C-N 116.953 -3.675 . . . . 0.0 110.583 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.275 7.8 p30 -79.4 152.57 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 129.927 3.291 . . . . 0.0 115.114 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.33 -23.24 66.65 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.418 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.93 69.33 Favored 'General case' 0 N--CA 1.419 -1.986 0 O-C-N 124.35 1.031 . . . . 0.0 111.703 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -72.98 -26.8 61.48 Favored 'General case' 0 N--CA 1.527 3.419 0 O-C-N 118.437 -2.664 . . . . 0.0 113.666 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 mt -84.32 -35.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 127.332 2.895 . . . . 0.0 108.999 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -59.15 -27.45 65.66 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 129.738 3.215 . . . . 0.0 115.88 167.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.321 83.1 mt -92.95 -34.67 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 126.333 1.853 . . . . 0.0 106.28 -173.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -69.34 -44.98 70.54 Favored 'General case' 0 C--N 1.371 1.511 0 O-C-N 125.172 1.545 . . . . 0.0 111.97 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.99 -26.48 67.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 117.571 -3.206 . . . . 0.0 111.137 172.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.46 -59.19 2.84 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 120.243 1.383 . . . . 0.0 111.155 166.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -80.13 -11.09 59.78 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 117.606 -3.184 . . . . 0.0 107.269 -162.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.97 -29.91 68.23 Favored 'General case' 0 C--N 1.393 2.493 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 mtp-105 . . . . . 0 N--CA 1.442 -0.875 0 C-N-CA 115.472 -2.491 . . . . 0.0 116.251 -172.259 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 CA--C 1.62 3.663 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -76.95 166.44 23.32 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 124.475 2.083 . . . . 0.0 107.623 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -74.2 -42.68 59.44 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 130.304 3.441 . . . . 0.0 108.06 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.69 -40.8 96.0 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 119.309 -2.119 . . . . 0.0 109.929 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.7 -43.71 98.34 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.051 0.844 . . . . 0.0 110.323 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.251 19.4 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.47 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.49 61.95 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -166.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -98.09 -30.9 12.41 Favored 'General case' 0 N--CA 1.528 3.448 0 CA-C-N 122.815 2.552 . . . . 0.0 109.411 172.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.42 -47.82 69.28 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-O 127.452 3.501 . . . . 0.0 112.648 173.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -53.52 -29.03 34.58 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 114.828 -4.92 . . . . 0.0 116.413 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.25 79.9 mtt85 -99.99 -7.3 25.26 Favored 'General case' 0 C--N 1.325 -0.499 1 C-N-CA 133.135 4.574 . . . . 0.0 115.339 -174.514 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' HD21 ' A' ' 37' ' ' LEU . 67.9 mm-40 -91.92 -42.38 10.07 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.318 -1.489 . . . . 0.0 108.474 159.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 127.484 2.314 . . . . 0.0 111.795 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.255 53.0 p-10 -67.08 -13.93 62.41 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -101.74 -41.21 6.63 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 120.393 -1.442 . . . . 0.0 110.837 172.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -145.94 121.8 10.62 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 118.319 -2.738 . . . . 0.0 108.217 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -80.03 6.43 11.47 Favored 'General case' 0 N--CA 1.401 -2.899 0 C-N-CA 127.803 2.441 . . . . 0.0 114.762 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -135.25 160.96 36.76 Favored 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 128.863 2.865 . . . . 0.0 113.047 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -130.81 174.71 9.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.933 170.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.3 p -110.44 172.76 6.68 Favored 'General case' 0 C--N 1.375 1.715 1 C-N-CA 136.29 5.836 . . . . 0.0 116.009 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 8.7 mp0 -57.12 -59.2 5.45 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 119.635 -1.916 . . . . 0.0 111.02 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -54.29 -32.8 57.27 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 128.453 2.701 . . . . 0.0 116.462 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -80.68 -37.16 31.31 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.714 2.406 . . . . 0.0 113.944 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -56.76 -32.32 65.49 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-N 120.462 1.483 . . . . 0.0 111.562 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.331 0.6 OUTLIER -68.12 -37.7 81.4 Favored 'General case' 0 C--N 1.393 2.472 0 C-N-CA 125.278 1.431 . . . . 0.0 112.776 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.67 -50.08 70.67 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 122.939 2.609 . . . . 0.0 111.35 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD21 ' HG3' ' A' ' 22' ' ' GLU . 74.7 mt -62.56 -41.49 98.94 Favored 'General case' 0 C--O 1.178 -2.667 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 125.479 1.511 . . . . 0.0 114.813 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.8 m -79.67 -56.84 4.0 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.08 -22.12 55.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 118.373 -2.705 . . . . 0.0 111.828 -158.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.26 -3.77 15.22 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 119.041 -2.287 . . . . 0.0 112.49 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.65 38.41 16.93 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 120.258 1.39 . . . . 0.0 114.493 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -121.72 149.86 42.64 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.077 2.551 . . . . 0.0 114.996 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.47 163.84 24.42 Favored 'General case' 0 C--O 1.255 1.364 1 O-C-N 114.656 -5.027 . . . . 0.0 111.205 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.2 -34.84 77.0 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.804 -1.81 . . . . 0.0 109.449 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.34 71.46 Favored 'General case' 0 CA--C 1.557 1.232 0 O-C-N 118.875 -2.391 . . . . 0.0 113.537 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -76.78 -43.93 34.89 Favored 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 120.656 1.571 . . . . 0.0 111.316 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -54.3 -46.85 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.968 0 C-N-CA 126.798 2.039 . . . . 0.0 108.18 167.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -54.54 -38.26 66.38 Favored 'General case' 1 N--CA 1.547 4.406 0 CA-C-N 121.55 1.977 . . . . 0.0 112.836 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.22 -35.95 7.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 131.59 3.956 . . . . 0.0 112.53 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -56.0 -57.43 12.14 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 122.482 2.401 . . . . 0.0 113.773 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.57 -28.38 45.58 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 129.477 3.111 . . . . 0.0 112.485 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.23 -56.47 8.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.523 1.63 . . . . 0.0 113.087 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.1 -23.8 61.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.883 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -65.62 -34.97 79.46 Favored 'General case' 0 CA--C 1.586 2.328 0 O-C-N 117.319 -3.363 . . . . 0.0 113.23 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 . . . . . 0 N--CA 1.538 3.961 0 CA-C-O 116.997 -1.478 . . . . 0.0 108.153 166.421 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.505 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.51 26.04 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 118.195 -2.944 . . . . 0.0 116.903 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.9 143.41 38.17 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 116.816 -3.677 . . . . 0.0 111.34 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -153.01 138.5 17.68 Favored 'General case' 0 CA--C 1.605 3.094 0 CA-C-N 122.52 2.418 . . . . 0.0 114.208 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.272 22.0 pttm -86.06 14.35 6.38 Favored 'General case' 0 CA--C 1.585 2.305 0 N-CA-C 119.689 3.218 . . . . 0.0 119.689 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.75 141.5 14.42 Favored Pre-proline 0 CA--C 1.58 2.102 1 O-C-N 129.407 4.192 . . . . 0.0 111.973 177.449 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -58.13 141.33 96.41 Favored 'Trans proline' 0 C--O 1.19 -1.905 0 CA-C-N 119.964 1.023 . . . . 0.0 110.416 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.75 124.41 5.44 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 123.535 1.636 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -78.33 117.0 19.15 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.755 2.022 . . . . 0.0 113.599 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.88 56.66 0.14 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -138.19 167.28 22.15 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 131.224 3.81 . . . . 0.0 112.796 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.255 2.8 p -100.29 161.16 13.79 Favored 'General case' 1 C--O 1.318 4.708 0 O-C-N 118.033 -2.917 . . . . 0.0 111.875 -170.31 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -72.38 -36.17 68.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.587 -1.32 . . . . 0.0 107.654 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.36 -41.57 85.02 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 118.1 -2.875 . . . . 0.0 111.27 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.36 -33.81 28.68 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 119.535 -1.978 . . . . 0.0 115.163 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.0 mt -72.58 -25.86 61.5 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 118.357 -2.714 . . . . 0.0 112.243 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.24 47.33 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.474 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -73.96 -31.44 63.02 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 122.107 2.23 . . . . 0.0 116.635 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.22 -41.36 83.89 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -54.45 -37.8 65.61 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 119.095 -2.253 . . . . 0.0 112.147 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -76.77 -17.35 59.1 Favored 'General case' 0 CA--C 1.625 3.85 0 C-N-CA 130.436 3.494 . . . . 0.0 115.838 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.611 ' HG3' HD21 ' A' ' 37' ' ' LEU . 72.4 mm-40 -97.96 -38.78 9.26 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 111.204 -2.725 . . . . 0.0 109.568 173.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 118.07 -2.894 . . . . 0.0 111.283 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 34.7 p30 -61.98 -23.5 66.44 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.369 -2.082 . . . . 0.0 116.559 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -98.94 -40.15 8.21 Favored 'General case' 0 C--O 1.262 1.743 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -135.27 136.6 41.78 Favored 'General case' 0 CA--C 1.477 -1.83 0 C-N-CA 127.476 2.31 . . . . 0.0 110.74 164.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.295 95.0 mtt180 -83.95 -3.41 57.94 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 122.78 2.536 . . . . 0.0 112.429 -175.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -132.22 -179.68 5.57 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 129.663 3.185 . . . . 0.0 112.854 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -146.94 167.58 23.61 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.604 -1.31 . . . . 0.0 109.587 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.5 p -121.99 162.25 21.46 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 127.815 2.446 . . . . 0.0 111.186 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 34' ' ' ARG . 40.6 mm-40 -58.56 -53.67 55.74 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 116.431 -2.108 . . . . 0.0 113.378 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 13.7 ptt85 -40.86 -34.72 0.42 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.834 2.902 . . . . 0.0 118.834 166.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.99 -38.72 14.21 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 118.649 -2.532 . . . . 0.0 112.161 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 31' ' ' GLU 0.301 32.7 mtm-85 -49.02 -47.66 44.35 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 128.15 2.58 . . . . 0.0 111.378 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.324 2.0 pp0? -60.9 -20.05 61.38 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.156 -1.59 . . . . 0.0 114.458 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.08 -50.25 20.4 Favored 'General case' 1 N--CA 1.546 4.326 0 CA-C-N 121.518 1.963 . . . . 0.0 115.53 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 22' ' ' GLU . 34.4 mt -61.4 -42.28 98.48 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 119.733 -1.854 . . . . 0.0 112.302 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -59.13 -36.89 76.01 Favored 'General case' 0 N--CA 1.516 2.867 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -78.67 -34.95 45.86 Favored 'General case' 0 N--CA 1.509 2.477 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 4.3 tp10 -84.42 -17.81 38.05 Favored 'General case' 0 N--CA 1.521 3.115 0 CA-C-O 113.606 -3.092 . . . . 0.0 113.131 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.76 2.11 4.43 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 125.433 1.708 . . . . 0.0 111.882 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.49 30.85 61.65 Favored Glycine 0 C--N 1.364 2.088 0 CA-C-N 121.258 1.845 . . . . 0.0 115.976 163.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -104.92 164.72 11.58 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 129.535 3.134 . . . . 0.0 108.244 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -88.26 157.84 18.65 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 127.047 2.717 . . . . 0.0 108.568 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.39 -38.08 76.59 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.55 62.74 Favored 'General case' 0 C--N 1.385 2.109 0 O-C-N 117.958 -2.964 . . . . 0.0 112.332 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.97 -36.2 83.2 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.552 2.741 . . . . 0.0 111.703 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -79.82 -44.19 23.01 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.235 0 O-C-N 119.416 -2.053 . . . . 0.0 106.862 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -57.59 -54.45 46.71 Favored 'General case' 0 CA--C 1.591 2.532 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.257 53.6 mt -60.69 -42.85 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.807 0 C-N-CA 124.228 1.011 . . . . 0.0 111.815 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -56.86 -46.3 81.88 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.852 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -71.65 -23.99 61.78 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-O 122.53 1.157 . . . . 0.0 113.874 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.01 49.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.495 -1.378 . . . . 0.0 112.631 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -83.46 -27.58 29.39 Favored 'General case' 0 C--O 1.274 2.387 0 CA-C-O 114.87 -2.491 . . . . 0.0 113.008 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.06 -35.15 66.62 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 121.632 2.015 . . . . 0.0 111.232 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -59.18 -48.85 80.09 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 117.498 -3.251 . . . . 0.0 110.754 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.82 -1.66 23.18 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 126.988 2.68 . . . . 0.0 113.076 -169.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -96.95 -26.28 15.1 Favored 'General case' 0 CA--C 1.476 -1.882 0 O-C-N 120.553 -1.342 . . . . 0.0 109.453 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.4 mt -108.04 95.21 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 129.141 2.976 . . . . 0.0 109.127 -174.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -91.18 -21.96 20.88 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 127.536 2.334 . . . . 0.0 115.127 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -92.95 130.44 38.53 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 123.405 2.82 . . . . 0.0 111.477 162.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.4 p -139.01 -36.47 0.54 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 110.675 -2.966 . . . . 0.0 116.954 155.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.59 149.18 33.24 Favored Glycine 0 C--O 1.195 -2.305 0 CA-C-N 119.532 1.06 . . . . 0.0 112.714 162.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.261 1.699 0 C-N-CA 126.718 2.007 . . . . 0.0 112.628 -174.098 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.194 -2.371 0 CA-C-O 113.575 -3.903 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.16 112.28 18.37 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-N 122.359 3.079 . . . . 0.0 107.306 170.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 141.72 30.09 Favored 'General case' 0 N--CA 1.394 -3.236 0 CA-C-N 120.898 1.681 . . . . 0.0 108.443 -174.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -99.41 145.83 26.97 Favored 'General case' 0 C--O 1.166 -3.291 0 O-C-N 118.959 -2.338 . . . . 0.0 111.903 166.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -89.83 152.3 21.35 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 118.402 -2.686 . . . . 0.0 108.772 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.54 133.47 9.53 Favored Pre-proline 0 C--O 1.19 -2.064 0 O-C-N 125.59 1.806 . . . . 0.0 113.395 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.71 124.27 9.14 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 125.194 3.929 . . . . 0.0 112.953 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.93 143.8 30.75 Favored 'General case' 0 CA--C 1.471 -2.064 0 C-N-CA 129.856 3.262 . . . . 0.0 116.944 171.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -61.16 132.86 55.06 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-O 121.949 0.881 . . . . 0.0 112.285 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.52 50.67 2.05 Favored 'General case' 0 C--N 1.387 2.23 0 CA-C-O 126.199 2.904 . . . . 0.0 115.991 -171.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -130.55 168.25 17.37 Favored 'General case' 0 N--CA 1.534 3.746 0 C-N-CA 127.085 2.154 . . . . 0.0 108.403 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -111.98 166.37 11.28 Favored 'General case' 0 CA--C 1.604 3.023 0 O-C-N 118.061 -2.9 . . . . 0.0 115.652 -172.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -71.58 -30.73 66.17 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 116.896 -1.921 . . . . 0.0 113.837 -170.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -67.76 -39.92 84.12 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.303 1.627 . . . . 0.0 111.812 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.268 64.5 mt-30 -68.27 -38.17 81.47 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.135 -1.603 . . . . 0.0 114.524 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.91 -46.67 62.11 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 111.663 -2.517 . . . . 0.0 113.794 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -44.12 11.66 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-O 111.829 -3.939 . . . . 0.0 112.53 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -71.37 -44.87 64.18 Favored 'General case' 0 N--CA 1.522 3.174 0 CA-C-N 122.105 2.229 . . . . 0.0 110.92 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.1 mt -53.51 -49.63 67.15 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.07 -27.13 65.24 Favored 'General case' 0 C--N 1.37 1.467 0 O-C-N 118.375 -2.703 . . . . 0.0 112.103 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -70.83 -38.88 73.26 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 128.222 2.609 . . . . 0.0 107.501 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -76.65 -37.82 55.61 Favored 'General case' 0 N--CA 1.415 -2.176 0 O-C-N 125.512 1.757 . . . . 0.0 113.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.505 2.281 0 CA-C-N 112.509 -2.132 . . . . 0.0 107.002 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.341 4.5 p30 -64.57 -21.96 66.84 Favored 'General case' 0 C--O 1.272 2.276 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -92.33 -42.22 9.93 Favored 'General case' 0 N--CA 1.386 -3.673 0 O-C-N 119.712 -1.867 . . . . 0.0 112.775 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -145.12 137.56 26.01 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 119.804 -1.81 . . . . 0.0 110.617 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -88.47 22.51 2.52 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -157.51 177.98 10.8 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 127.189 2.195 . . . . 0.0 107.007 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 mt -143.88 163.2 34.08 Favored 'General case' 0 N--CA 1.524 3.227 1 CA-C-N 126.023 4.01 . . . . 0.0 112.829 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -101.12 164.16 11.94 Favored 'General case' 0 CA--C 1.582 2.184 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.28 -49.17 64.64 Favored 'General case' 0 CA--C 1.621 3.676 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.72 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.76 -36.69 85.12 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 119.498 1.044 . . . . 0.0 113.124 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -76.17 -36.14 58.84 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 120.387 -1.445 . . . . 0.0 111.313 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.273 75.0 mtm-85 -50.34 -41.56 51.55 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.318 2.247 . . . . 0.0 114.824 167.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -37.72 76.42 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 118.114 -2.866 . . . . 0.0 108.448 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.62 -49.33 77.87 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.801 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.31 -37.14 84.45 Favored 'General case' 0 C--O 1.269 2.105 0 C-N-CA 126.193 1.797 . . . . 0.0 113.265 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -62.52 -42.58 99.61 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 125.001 1.32 . . . . 0.0 111.849 171.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -45.67 81.89 Favored 'General case' 1 N--CA 1.539 4.018 0 CA-C-N 123.177 2.717 . . . . 0.0 110.732 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.251 46.5 tp10 -86.89 -32.85 19.98 Favored 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 116.023 -1.941 . . . . 0.0 112.927 -162.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.45 -19.12 21.58 Favored 'General case' 0 CA--C 1.589 2.47 0 CA-C-O 113.283 -3.246 . . . . 0.0 115.283 166.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.57 50.52 4.98 Favored Glycine 0 C--N 1.393 3.703 0 O-C-N 125.951 2.032 . . . . 0.0 110.826 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -127.62 159.39 34.82 Favored 'General case' 0 N--CA 1.529 3.477 0 O-C-N 116.953 -3.675 . . . . 0.0 110.583 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.275 7.8 p30 -79.4 152.57 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 129.927 3.291 . . . . 0.0 115.114 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.33 -23.24 66.65 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.418 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.93 69.33 Favored 'General case' 0 N--CA 1.419 -1.986 0 O-C-N 124.35 1.031 . . . . 0.0 111.703 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -72.98 -26.8 61.48 Favored 'General case' 0 N--CA 1.527 3.419 0 O-C-N 118.437 -2.664 . . . . 0.0 113.666 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 mt -84.32 -35.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 127.332 2.895 . . . . 0.0 108.999 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -59.15 -27.45 65.66 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 129.738 3.215 . . . . 0.0 115.88 167.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.321 83.1 mt -92.95 -34.67 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 126.333 1.853 . . . . 0.0 106.28 -173.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -69.34 -44.98 70.54 Favored 'General case' 0 C--N 1.371 1.511 0 O-C-N 125.172 1.545 . . . . 0.0 111.97 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.99 -26.48 67.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 117.571 -3.206 . . . . 0.0 111.137 172.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.46 -59.19 2.84 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 120.243 1.383 . . . . 0.0 111.155 166.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -80.13 -11.09 59.78 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 117.606 -3.184 . . . . 0.0 107.269 -162.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.97 -29.91 68.23 Favored 'General case' 0 C--N 1.393 2.493 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 mtp-105 -67.09 -35.45 79.84 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 115.472 -2.491 . . . . 0.0 116.251 -172.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -27.53 69.18 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 125.316 1.635 . . . . 0.0 114.919 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.32 -10.99 59.46 Favored 'General case' 0 C--O 1.289 3.141 0 N-CA-C 117.276 2.324 . . . . 0.0 117.276 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 59' ' ' ILE . 2.1 mt -124.44 36.34 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 127.507 2.323 . . . . 0.0 117.145 167.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -69.02 -31.24 69.92 Favored 'General case' 0 CA--C 1.586 2.346 0 CA-C-O 115.405 -2.236 . . . . 0.0 106.667 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -70.17 134.77 48.46 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 127.027 2.131 . . . . 0.0 114.706 166.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 p -141.75 -25.22 0.69 Allowed 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.381 3.072 . . . . 0.0 112.518 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.54 -150.91 5.22 Favored Glycine 0 N--CA 1.486 2.022 0 CA-C-N 122.331 2.332 . . . . 0.0 118.357 170.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 1 C--N 1.431 4.119 0 C-N-CA 130.876 3.671 . . . . 0.0 105.672 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.939 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.9 2.51 Favored 'General case' 0 C--O 1.263 1.806 0 CA-C-N 112.275 -1.962 . . . . 0.0 110.642 -160.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.6 mtp -137.47 139.19 40.43 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 128.03 2.532 . . . . 0.0 111.965 -174.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -140.31 133.04 28.96 Favored 'General case' 0 C--O 1.188 -2.18 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.348 8.0 ptpt -69.06 -3.25 12.44 Favored 'General case' 0 N--CA 1.535 3.824 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.6 158.0 27.06 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 122.614 2.461 . . . . 0.0 109.949 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -73.21 120.51 6.61 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.678 1.585 . . . . 0.0 111.778 167.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -112.5 133.83 54.35 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 127.695 3.122 . . . . 0.0 117.558 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.27 75.5 p -65.85 130.07 41.98 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-O 115.727 -2.082 . . . . 0.0 110.124 156.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.82 56.67 2.78 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 123.584 2.902 . . . . 0.0 111.092 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.94 138.44 45.49 Favored 'General case' 0 CA--C 1.62 3.663 1 C-N-CA 133.401 4.68 . . . . 0.0 109.986 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -76.95 166.44 23.32 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 124.475 2.083 . . . . 0.0 107.623 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -74.2 -42.68 59.44 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 130.304 3.441 . . . . 0.0 108.06 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.69 -40.8 96.0 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 119.309 -2.119 . . . . 0.0 109.929 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.7 -43.71 98.34 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.051 0.844 . . . . 0.0 110.323 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.251 19.4 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.47 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.49 61.95 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -166.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -98.09 -30.9 12.41 Favored 'General case' 0 N--CA 1.528 3.448 0 CA-C-N 122.815 2.552 . . . . 0.0 109.411 172.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.42 -47.82 69.28 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-O 127.452 3.501 . . . . 0.0 112.648 173.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -53.52 -29.03 34.58 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 114.828 -4.92 . . . . 0.0 116.413 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.25 79.9 mtt85 -99.99 -7.3 25.26 Favored 'General case' 0 C--N 1.325 -0.499 1 C-N-CA 133.135 4.574 . . . . 0.0 115.339 -174.514 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' HD21 ' A' ' 37' ' ' LEU . 67.9 mm-40 -91.92 -42.38 10.07 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.318 -1.489 . . . . 0.0 108.474 159.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 127.484 2.314 . . . . 0.0 111.795 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.255 53.0 p-10 -67.08 -13.93 62.41 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -101.74 -41.21 6.63 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 120.393 -1.442 . . . . 0.0 110.837 172.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -145.94 121.8 10.62 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 118.319 -2.738 . . . . 0.0 108.217 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -80.03 6.43 11.47 Favored 'General case' 0 N--CA 1.401 -2.899 0 C-N-CA 127.803 2.441 . . . . 0.0 114.762 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -135.25 160.96 36.76 Favored 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 128.863 2.865 . . . . 0.0 113.047 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -130.81 174.71 9.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.933 170.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.3 p -110.44 172.76 6.68 Favored 'General case' 0 C--N 1.375 1.715 1 C-N-CA 136.29 5.836 . . . . 0.0 116.009 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 8.7 mp0 -57.12 -59.2 5.45 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 119.635 -1.916 . . . . 0.0 111.02 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -54.29 -32.8 57.27 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 128.453 2.701 . . . . 0.0 116.462 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -80.68 -37.16 31.31 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.714 2.406 . . . . 0.0 113.944 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -56.76 -32.32 65.49 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-N 120.462 1.483 . . . . 0.0 111.562 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.331 0.6 OUTLIER -68.12 -37.7 81.4 Favored 'General case' 0 C--N 1.393 2.472 0 C-N-CA 125.278 1.431 . . . . 0.0 112.776 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.67 -50.08 70.67 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 122.939 2.609 . . . . 0.0 111.35 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD21 ' HG3' ' A' ' 22' ' ' GLU . 74.7 mt -62.56 -41.49 98.94 Favored 'General case' 0 C--O 1.178 -2.667 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 125.479 1.511 . . . . 0.0 114.813 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.8 m -79.67 -56.84 4.0 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.08 -22.12 55.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 118.373 -2.705 . . . . 0.0 111.828 -158.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.26 -3.77 15.22 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 119.041 -2.287 . . . . 0.0 112.49 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.65 38.41 16.93 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 120.258 1.39 . . . . 0.0 114.493 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -121.72 149.86 42.64 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.077 2.551 . . . . 0.0 114.996 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.47 163.84 24.42 Favored 'General case' 0 C--O 1.255 1.364 1 O-C-N 114.656 -5.027 . . . . 0.0 111.205 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.2 -34.84 77.0 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.804 -1.81 . . . . 0.0 109.449 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.34 71.46 Favored 'General case' 0 CA--C 1.557 1.232 0 O-C-N 118.875 -2.391 . . . . 0.0 113.537 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -76.78 -43.93 34.89 Favored 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 120.656 1.571 . . . . 0.0 111.316 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -54.3 -46.85 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.968 0 C-N-CA 126.798 2.039 . . . . 0.0 108.18 167.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -54.54 -38.26 66.38 Favored 'General case' 1 N--CA 1.547 4.406 0 CA-C-N 121.55 1.977 . . . . 0.0 112.836 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.22 -35.95 7.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 131.59 3.956 . . . . 0.0 112.53 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -56.0 -57.43 12.14 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 122.482 2.401 . . . . 0.0 113.773 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.57 -28.38 45.58 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 129.477 3.111 . . . . 0.0 112.485 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.23 -56.47 8.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.523 1.63 . . . . 0.0 113.087 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 58' ' ' LYS . 17.1 t-20 -72.1 -23.8 61.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.883 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -65.62 -34.97 79.46 Favored 'General case' 0 CA--C 1.586 2.328 0 O-C-N 117.319 -3.363 . . . . 0.0 113.23 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -57.65 -33.24 68.08 Favored 'General case' 0 N--CA 1.538 3.961 0 CA-C-O 116.997 -1.478 . . . . 0.0 108.153 166.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.7 60.43 Favored 'General case' 0 C--O 1.275 2.442 0 CA-C-N 121.349 1.886 . . . . 0.0 112.491 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HE2' ' OD1' ' A' ' 54' ' ' ASN . 54.7 mttm -83.28 -12.97 56.15 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.663 1.985 . . . . 0.0 114.117 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . 0.395 4.3 mt -134.85 59.7 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.183 -2.436 0 C-N-CA 125.047 1.339 . . . . 0.0 112.422 -171.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . 0.303 72.3 tttt -64.88 -37.59 88.13 Favored 'General case' 0 N--CA 1.427 -1.603 0 O-C-N 126.936 2.647 . . . . 0.0 112.151 -173.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -99.11 143.07 29.79 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 116.342 -1.79 . . . . 0.0 113.024 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.0 p -170.2 -22.04 0.02 OUTLIER 'General case' 0 C--O 1.267 1.974 0 O-C-N 128.146 3.404 . . . . 0.0 112.757 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.5 152.12 2.09 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 128.029 2.728 . . . . 0.0 113.325 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.377 1.786 0 O-C-N 119.818 -1.989 . . . . 0.0 115.264 171.47 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 122.958 1.361 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.255 2.8 p -100.29 161.16 13.79 Favored 'General case' 1 C--O 1.318 4.708 0 O-C-N 118.033 -2.917 . . . . 0.0 111.875 -170.31 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -72.38 -36.17 68.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.587 -1.32 . . . . 0.0 107.654 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.36 -41.57 85.02 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 118.1 -2.875 . . . . 0.0 111.27 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.36 -33.81 28.68 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 119.535 -1.978 . . . . 0.0 115.163 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.0 mt -72.58 -25.86 61.5 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 118.357 -2.714 . . . . 0.0 112.243 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.24 47.33 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.474 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -73.96 -31.44 63.02 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 122.107 2.23 . . . . 0.0 116.635 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.22 -41.36 83.89 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -54.45 -37.8 65.61 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 119.095 -2.253 . . . . 0.0 112.147 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -76.77 -17.35 59.1 Favored 'General case' 0 CA--C 1.625 3.85 0 C-N-CA 130.436 3.494 . . . . 0.0 115.838 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.611 ' HG3' HD21 ' A' ' 37' ' ' LEU . 72.4 mm-40 -97.96 -38.78 9.26 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 111.204 -2.725 . . . . 0.0 109.568 173.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 118.07 -2.894 . . . . 0.0 111.283 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 34.7 p30 -61.98 -23.5 66.44 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.369 -2.082 . . . . 0.0 116.559 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -98.94 -40.15 8.21 Favored 'General case' 0 C--O 1.262 1.743 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -135.27 136.6 41.78 Favored 'General case' 0 CA--C 1.477 -1.83 0 C-N-CA 127.476 2.31 . . . . 0.0 110.74 164.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.295 95.0 mtt180 -83.95 -3.41 57.94 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 122.78 2.536 . . . . 0.0 112.429 -175.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -132.22 -179.68 5.57 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 129.663 3.185 . . . . 0.0 112.854 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -146.94 167.58 23.61 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.604 -1.31 . . . . 0.0 109.587 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.5 p -121.99 162.25 21.46 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 127.815 2.446 . . . . 0.0 111.186 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 34' ' ' ARG . 40.6 mm-40 -58.56 -53.67 55.74 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 116.431 -2.108 . . . . 0.0 113.378 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 13.7 ptt85 -40.86 -34.72 0.42 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.834 2.902 . . . . 0.0 118.834 166.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.99 -38.72 14.21 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 118.649 -2.532 . . . . 0.0 112.161 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 31' ' ' GLU 0.301 32.7 mtm-85 -49.02 -47.66 44.35 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 128.15 2.58 . . . . 0.0 111.378 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.324 2.0 pp0? -60.9 -20.05 61.38 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.156 -1.59 . . . . 0.0 114.458 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.08 -50.25 20.4 Favored 'General case' 1 N--CA 1.546 4.326 0 CA-C-N 121.518 1.963 . . . . 0.0 115.53 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 22' ' ' GLU . 34.4 mt -61.4 -42.28 98.48 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 119.733 -1.854 . . . . 0.0 112.302 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -59.13 -36.89 76.01 Favored 'General case' 0 N--CA 1.516 2.867 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -78.67 -34.95 45.86 Favored 'General case' 0 N--CA 1.509 2.477 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 4.3 tp10 -84.42 -17.81 38.05 Favored 'General case' 0 N--CA 1.521 3.115 0 CA-C-O 113.606 -3.092 . . . . 0.0 113.131 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.76 2.11 4.43 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 125.433 1.708 . . . . 0.0 111.882 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.49 30.85 61.65 Favored Glycine 0 C--N 1.364 2.088 0 CA-C-N 121.258 1.845 . . . . 0.0 115.976 163.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -104.92 164.72 11.58 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 129.535 3.134 . . . . 0.0 108.244 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -88.26 157.84 18.65 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 127.047 2.717 . . . . 0.0 108.568 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.39 -38.08 76.59 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.55 62.74 Favored 'General case' 0 C--N 1.385 2.109 0 O-C-N 117.958 -2.964 . . . . 0.0 112.332 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.97 -36.2 83.2 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.552 2.741 . . . . 0.0 111.703 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -79.82 -44.19 23.01 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.235 0 O-C-N 119.416 -2.053 . . . . 0.0 106.862 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -57.59 -54.45 46.71 Favored 'General case' 0 CA--C 1.591 2.532 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.257 53.6 mt -60.69 -42.85 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.807 0 C-N-CA 124.228 1.011 . . . . 0.0 111.815 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -56.86 -46.3 81.88 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.852 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -71.65 -23.99 61.78 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-O 122.53 1.157 . . . . 0.0 113.874 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.01 49.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.495 -1.378 . . . . 0.0 112.631 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -83.46 -27.58 29.39 Favored 'General case' 0 C--O 1.274 2.387 0 CA-C-O 114.87 -2.491 . . . . 0.0 113.008 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.06 -35.15 66.62 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 121.632 2.015 . . . . 0.0 111.232 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 . . . . . 0 N--CA 1.485 1.281 0 O-C-N 117.498 -3.251 . . . . 0.0 110.754 171.507 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.534 3.746 0 CA-C-O 123.572 1.653 . . . . 0.0 108.403 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -111.98 166.37 11.28 Favored 'General case' 0 CA--C 1.604 3.023 0 O-C-N 118.061 -2.9 . . . . 0.0 115.652 -172.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -71.58 -30.73 66.17 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 116.896 -1.921 . . . . 0.0 113.837 -170.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -67.76 -39.92 84.12 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.303 1.627 . . . . 0.0 111.812 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.268 64.5 mt-30 -68.27 -38.17 81.47 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.135 -1.603 . . . . 0.0 114.524 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.91 -46.67 62.11 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 111.663 -2.517 . . . . 0.0 113.794 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -44.12 11.66 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-O 111.829 -3.939 . . . . 0.0 112.53 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -71.37 -44.87 64.18 Favored 'General case' 0 N--CA 1.522 3.174 0 CA-C-N 122.105 2.229 . . . . 0.0 110.92 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.1 mt -53.51 -49.63 67.15 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.07 -27.13 65.24 Favored 'General case' 0 C--N 1.37 1.467 0 O-C-N 118.375 -2.703 . . . . 0.0 112.103 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -70.83 -38.88 73.26 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 128.222 2.609 . . . . 0.0 107.501 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -76.65 -37.82 55.61 Favored 'General case' 0 N--CA 1.415 -2.176 0 O-C-N 125.512 1.757 . . . . 0.0 113.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.505 2.281 0 CA-C-N 112.509 -2.132 . . . . 0.0 107.002 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.341 4.5 p30 -64.57 -21.96 66.84 Favored 'General case' 0 C--O 1.272 2.276 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -92.33 -42.22 9.93 Favored 'General case' 0 N--CA 1.386 -3.673 0 O-C-N 119.712 -1.867 . . . . 0.0 112.775 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -145.12 137.56 26.01 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 119.804 -1.81 . . . . 0.0 110.617 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -88.47 22.51 2.52 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -157.51 177.98 10.8 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 127.189 2.195 . . . . 0.0 107.007 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 mt -143.88 163.2 34.08 Favored 'General case' 0 N--CA 1.524 3.227 1 CA-C-N 126.023 4.01 . . . . 0.0 112.829 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -101.12 164.16 11.94 Favored 'General case' 0 CA--C 1.582 2.184 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.28 -49.17 64.64 Favored 'General case' 0 CA--C 1.621 3.676 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.72 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.76 -36.69 85.12 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 119.498 1.044 . . . . 0.0 113.124 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -76.17 -36.14 58.84 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 120.387 -1.445 . . . . 0.0 111.313 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.273 75.0 mtm-85 -50.34 -41.56 51.55 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.318 2.247 . . . . 0.0 114.824 167.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -37.72 76.42 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 118.114 -2.866 . . . . 0.0 108.448 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.62 -49.33 77.87 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.801 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.31 -37.14 84.45 Favored 'General case' 0 C--O 1.269 2.105 0 C-N-CA 126.193 1.797 . . . . 0.0 113.265 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -62.52 -42.58 99.61 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 125.001 1.32 . . . . 0.0 111.849 171.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -45.67 81.89 Favored 'General case' 1 N--CA 1.539 4.018 0 CA-C-N 123.177 2.717 . . . . 0.0 110.732 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.251 46.5 tp10 -86.89 -32.85 19.98 Favored 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 116.023 -1.941 . . . . 0.0 112.927 -162.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.45 -19.12 21.58 Favored 'General case' 0 CA--C 1.589 2.47 0 CA-C-O 113.283 -3.246 . . . . 0.0 115.283 166.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.57 50.52 4.98 Favored Glycine 0 C--N 1.393 3.703 0 O-C-N 125.951 2.032 . . . . 0.0 110.826 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -127.62 159.39 34.82 Favored 'General case' 0 N--CA 1.529 3.477 0 O-C-N 116.953 -3.675 . . . . 0.0 110.583 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.275 7.8 p30 -79.4 152.57 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 129.927 3.291 . . . . 0.0 115.114 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.33 -23.24 66.65 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.418 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.93 69.33 Favored 'General case' 0 N--CA 1.419 -1.986 0 O-C-N 124.35 1.031 . . . . 0.0 111.703 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -72.98 -26.8 61.48 Favored 'General case' 0 N--CA 1.527 3.419 0 O-C-N 118.437 -2.664 . . . . 0.0 113.666 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 mt -84.32 -35.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 127.332 2.895 . . . . 0.0 108.999 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -59.15 -27.45 65.66 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 129.738 3.215 . . . . 0.0 115.88 167.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.321 83.1 mt -92.95 -34.67 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 126.333 1.853 . . . . 0.0 106.28 -173.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -69.34 -44.98 70.54 Favored 'General case' 0 C--N 1.371 1.511 0 O-C-N 125.172 1.545 . . . . 0.0 111.97 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.99 -26.48 67.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 117.571 -3.206 . . . . 0.0 111.137 172.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.46 -59.19 2.84 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 120.243 1.383 . . . . 0.0 111.155 166.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -80.13 -11.09 59.78 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 117.606 -3.184 . . . . 0.0 107.269 -162.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.97 -29.91 68.23 Favored 'General case' 0 C--N 1.393 2.493 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 mtp-105 . . . . . 0 N--CA 1.442 -0.875 0 C-N-CA 115.472 -2.491 . . . . 0.0 116.251 -172.259 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 CA--C 1.62 3.663 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -76.95 166.44 23.32 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 124.475 2.083 . . . . 0.0 107.623 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -74.2 -42.68 59.44 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 130.304 3.441 . . . . 0.0 108.06 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.69 -40.8 96.0 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 119.309 -2.119 . . . . 0.0 109.929 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.7 -43.71 98.34 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.051 0.844 . . . . 0.0 110.323 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.251 19.4 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.47 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.49 61.95 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -166.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -98.09 -30.9 12.41 Favored 'General case' 0 N--CA 1.528 3.448 0 CA-C-N 122.815 2.552 . . . . 0.0 109.411 172.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.42 -47.82 69.28 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-O 127.452 3.501 . . . . 0.0 112.648 173.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -53.52 -29.03 34.58 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 114.828 -4.92 . . . . 0.0 116.413 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.25 79.9 mtt85 -99.99 -7.3 25.26 Favored 'General case' 0 C--N 1.325 -0.499 1 C-N-CA 133.135 4.574 . . . . 0.0 115.339 -174.514 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' HD21 ' A' ' 37' ' ' LEU . 67.9 mm-40 -91.92 -42.38 10.07 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.318 -1.489 . . . . 0.0 108.474 159.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 127.484 2.314 . . . . 0.0 111.795 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.255 53.0 p-10 -67.08 -13.93 62.41 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -101.74 -41.21 6.63 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 120.393 -1.442 . . . . 0.0 110.837 172.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -145.94 121.8 10.62 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 118.319 -2.738 . . . . 0.0 108.217 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -80.03 6.43 11.47 Favored 'General case' 0 N--CA 1.401 -2.899 0 C-N-CA 127.803 2.441 . . . . 0.0 114.762 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -135.25 160.96 36.76 Favored 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 128.863 2.865 . . . . 0.0 113.047 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -130.81 174.71 9.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.933 170.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.3 p -110.44 172.76 6.68 Favored 'General case' 0 C--N 1.375 1.715 1 C-N-CA 136.29 5.836 . . . . 0.0 116.009 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 8.7 mp0 -57.12 -59.2 5.45 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 119.635 -1.916 . . . . 0.0 111.02 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -54.29 -32.8 57.27 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 128.453 2.701 . . . . 0.0 116.462 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -80.68 -37.16 31.31 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.714 2.406 . . . . 0.0 113.944 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -56.76 -32.32 65.49 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-N 120.462 1.483 . . . . 0.0 111.562 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.331 0.6 OUTLIER -68.12 -37.7 81.4 Favored 'General case' 0 C--N 1.393 2.472 0 C-N-CA 125.278 1.431 . . . . 0.0 112.776 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.67 -50.08 70.67 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 122.939 2.609 . . . . 0.0 111.35 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD21 ' HG3' ' A' ' 22' ' ' GLU . 74.7 mt -62.56 -41.49 98.94 Favored 'General case' 0 C--O 1.178 -2.667 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 125.479 1.511 . . . . 0.0 114.813 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.8 m -79.67 -56.84 4.0 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.08 -22.12 55.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 118.373 -2.705 . . . . 0.0 111.828 -158.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.26 -3.77 15.22 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 119.041 -2.287 . . . . 0.0 112.49 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.65 38.41 16.93 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 120.258 1.39 . . . . 0.0 114.493 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -121.72 149.86 42.64 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.077 2.551 . . . . 0.0 114.996 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.47 163.84 24.42 Favored 'General case' 0 C--O 1.255 1.364 1 O-C-N 114.656 -5.027 . . . . 0.0 111.205 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.2 -34.84 77.0 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.804 -1.81 . . . . 0.0 109.449 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.34 71.46 Favored 'General case' 0 CA--C 1.557 1.232 0 O-C-N 118.875 -2.391 . . . . 0.0 113.537 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -76.78 -43.93 34.89 Favored 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 120.656 1.571 . . . . 0.0 111.316 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -54.3 -46.85 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.968 0 C-N-CA 126.798 2.039 . . . . 0.0 108.18 167.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -54.54 -38.26 66.38 Favored 'General case' 1 N--CA 1.547 4.406 0 CA-C-N 121.55 1.977 . . . . 0.0 112.836 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.22 -35.95 7.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 131.59 3.956 . . . . 0.0 112.53 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -56.0 -57.43 12.14 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 122.482 2.401 . . . . 0.0 113.773 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.57 -28.38 45.58 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 129.477 3.111 . . . . 0.0 112.485 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.23 -56.47 8.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.523 1.63 . . . . 0.0 113.087 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.1 -23.8 61.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.883 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -65.62 -34.97 79.46 Favored 'General case' 0 CA--C 1.586 2.328 0 O-C-N 117.319 -3.363 . . . . 0.0 113.23 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 . . . . . 0 N--CA 1.538 3.961 0 CA-C-O 116.997 -1.478 . . . . 0.0 108.153 166.421 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.505 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.51 26.04 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 118.195 -2.944 . . . . 0.0 116.903 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.9 143.41 38.17 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 116.816 -3.677 . . . . 0.0 111.34 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -153.01 138.5 17.68 Favored 'General case' 0 CA--C 1.605 3.094 0 CA-C-N 122.52 2.418 . . . . 0.0 114.208 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.272 22.0 pttm -86.06 14.35 6.38 Favored 'General case' 0 CA--C 1.585 2.305 0 N-CA-C 119.689 3.218 . . . . 0.0 119.689 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.75 141.5 14.42 Favored Pre-proline 0 CA--C 1.58 2.102 1 O-C-N 129.407 4.192 . . . . 0.0 111.973 177.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -58.13 141.33 96.41 Favored 'Trans proline' 0 C--O 1.19 -1.905 0 CA-C-N 119.964 1.023 . . . . 0.0 110.416 174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.75 124.41 5.44 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 123.535 1.636 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -78.33 117.0 19.15 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 126.755 2.022 . . . . 0.0 113.599 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.88 56.66 0.14 Allowed 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -138.19 167.28 22.15 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 131.224 3.81 . . . . 0.0 112.796 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.255 2.8 p -100.29 161.16 13.79 Favored 'General case' 1 C--O 1.318 4.708 0 O-C-N 118.033 -2.917 . . . . 0.0 111.875 -170.31 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.0 m -72.38 -36.17 68.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.587 -1.32 . . . . 0.0 107.654 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -58.36 -41.57 85.02 Favored 'General case' 0 CA--C 1.504 -0.794 0 O-C-N 118.1 -2.875 . . . . 0.0 111.27 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.36 -33.81 28.68 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 119.535 -1.978 . . . . 0.0 115.163 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.0 mt -72.58 -25.86 61.5 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 118.357 -2.714 . . . . 0.0 112.243 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.24 47.33 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.474 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -73.96 -31.44 63.02 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 122.107 2.23 . . . . 0.0 116.635 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -58.22 -41.36 83.89 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -54.45 -37.8 65.61 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 119.095 -2.253 . . . . 0.0 112.147 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -76.77 -17.35 59.1 Favored 'General case' 0 CA--C 1.625 3.85 0 C-N-CA 130.436 3.494 . . . . 0.0 115.838 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.611 ' HG3' HD21 ' A' ' 37' ' ' LEU . 72.4 mm-40 -97.96 -38.78 9.26 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 111.204 -2.725 . . . . 0.0 109.568 173.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.73 -43.24 99.24 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 118.07 -2.894 . . . . 0.0 111.283 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.294 34.7 p30 -61.98 -23.5 66.44 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.369 -2.082 . . . . 0.0 116.559 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -98.94 -40.15 8.21 Favored 'General case' 0 C--O 1.262 1.743 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -135.27 136.6 41.78 Favored 'General case' 0 CA--C 1.477 -1.83 0 C-N-CA 127.476 2.31 . . . . 0.0 110.74 164.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.295 95.0 mtt180 -83.95 -3.41 57.94 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 122.78 2.536 . . . . 0.0 112.429 -175.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -132.22 -179.68 5.57 Favored 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 129.663 3.185 . . . . 0.0 112.854 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.7 mt -146.94 167.58 23.61 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.604 -1.31 . . . . 0.0 109.587 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 78.5 p -121.99 162.25 21.46 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 127.815 2.446 . . . . 0.0 111.186 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 34' ' ' ARG . 40.6 mm-40 -58.56 -53.67 55.74 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 116.431 -2.108 . . . . 0.0 113.378 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.26 13.7 ptt85 -40.86 -34.72 0.42 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.834 2.902 . . . . 0.0 118.834 166.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.99 -38.72 14.21 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 118.649 -2.532 . . . . 0.0 112.161 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 31' ' ' GLU 0.301 32.7 mtm-85 -49.02 -47.66 44.35 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 128.15 2.58 . . . . 0.0 111.378 176.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.324 2.0 pp0? -60.9 -20.05 61.38 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 120.156 -1.59 . . . . 0.0 114.458 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.08 -50.25 20.4 Favored 'General case' 1 N--CA 1.546 4.326 0 CA-C-N 121.518 1.963 . . . . 0.0 115.53 174.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 22' ' ' GLU . 34.4 mt -61.4 -42.28 98.48 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 119.733 -1.854 . . . . 0.0 112.302 173.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -59.13 -36.89 76.01 Favored 'General case' 0 N--CA 1.516 2.867 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 173.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -78.67 -34.95 45.86 Favored 'General case' 0 N--CA 1.509 2.477 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 4.3 tp10 -84.42 -17.81 38.05 Favored 'General case' 0 N--CA 1.521 3.115 0 CA-C-O 113.606 -3.092 . . . . 0.0 113.131 -173.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.76 2.11 4.43 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 125.433 1.708 . . . . 0.0 111.882 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.49 30.85 61.65 Favored Glycine 0 C--N 1.364 2.088 0 CA-C-N 121.258 1.845 . . . . 0.0 115.976 163.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -104.92 164.72 11.58 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 129.535 3.134 . . . . 0.0 108.244 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -88.26 157.84 18.65 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 127.047 2.717 . . . . 0.0 108.568 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -58.39 -38.08 76.59 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.55 62.74 Favored 'General case' 0 C--N 1.385 2.109 0 O-C-N 117.958 -2.964 . . . . 0.0 112.332 173.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.97 -36.2 83.2 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 128.552 2.741 . . . . 0.0 111.703 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -79.82 -44.19 23.01 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.235 0 O-C-N 119.416 -2.053 . . . . 0.0 106.862 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -57.59 -54.45 46.71 Favored 'General case' 0 CA--C 1.591 2.532 0 N-CA-C 103.781 -2.674 . . . . 0.0 103.781 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.257 53.6 mt -60.69 -42.85 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.807 0 C-N-CA 124.228 1.011 . . . . 0.0 111.815 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -56.86 -46.3 81.88 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.852 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -71.65 -23.99 61.78 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-O 122.53 1.157 . . . . 0.0 113.874 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.01 49.49 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.495 -1.378 . . . . 0.0 112.631 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -83.46 -27.58 29.39 Favored 'General case' 0 C--O 1.274 2.387 0 CA-C-O 114.87 -2.491 . . . . 0.0 113.008 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.06 -35.15 66.62 Favored 'General case' 0 N--CA 1.521 3.088 0 CA-C-N 121.632 2.015 . . . . 0.0 111.232 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -59.18 -48.85 80.09 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 117.498 -3.251 . . . . 0.0 110.754 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.82 -1.66 23.18 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 126.988 2.68 . . . . 0.0 113.076 -169.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -96.95 -26.28 15.1 Favored 'General case' 0 CA--C 1.476 -1.882 0 O-C-N 120.553 -1.342 . . . . 0.0 109.453 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.4 mt -108.04 95.21 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 C-N-CA 129.141 2.976 . . . . 0.0 109.127 -174.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -91.18 -21.96 20.88 Favored 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 127.536 2.334 . . . . 0.0 115.127 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -92.95 130.44 38.53 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 123.405 2.82 . . . . 0.0 111.477 162.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.4 p -139.01 -36.47 0.54 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 110.675 -2.966 . . . . 0.0 116.954 155.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.59 149.18 33.24 Favored Glycine 0 C--O 1.195 -2.305 0 CA-C-N 119.532 1.06 . . . . 0.0 112.714 162.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.261 1.699 0 C-N-CA 126.718 2.007 . . . . 0.0 112.628 -174.098 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.194 -2.371 0 CA-C-O 113.575 -3.903 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.16 112.28 18.37 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-N 122.359 3.079 . . . . 0.0 107.306 170.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 141.72 30.09 Favored 'General case' 0 N--CA 1.394 -3.236 0 CA-C-N 120.898 1.681 . . . . 0.0 108.443 -174.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -99.41 145.83 26.97 Favored 'General case' 0 C--O 1.166 -3.291 0 O-C-N 118.959 -2.338 . . . . 0.0 111.903 166.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -89.83 152.3 21.35 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 118.402 -2.686 . . . . 0.0 108.772 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.54 133.47 9.53 Favored Pre-proline 0 C--O 1.19 -2.064 0 O-C-N 125.59 1.806 . . . . 0.0 113.395 172.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.71 124.27 9.14 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 125.194 3.929 . . . . 0.0 112.953 -177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.93 143.8 30.75 Favored 'General case' 0 CA--C 1.471 -2.064 0 C-N-CA 129.856 3.262 . . . . 0.0 116.944 171.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -61.16 132.86 55.06 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-O 121.949 0.881 . . . . 0.0 112.285 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.52 50.67 2.05 Favored 'General case' 0 C--N 1.387 2.23 0 CA-C-O 126.199 2.904 . . . . 0.0 115.991 -171.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -130.55 168.25 17.37 Favored 'General case' 0 N--CA 1.534 3.746 0 C-N-CA 127.085 2.154 . . . . 0.0 108.403 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -111.98 166.37 11.28 Favored 'General case' 0 CA--C 1.604 3.023 0 O-C-N 118.061 -2.9 . . . . 0.0 115.652 -172.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 m -71.58 -30.73 66.17 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 116.896 -1.921 . . . . 0.0 113.837 -170.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -67.76 -39.92 84.12 Favored 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.303 1.627 . . . . 0.0 111.812 174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.268 64.5 mt-30 -68.27 -38.17 81.47 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.135 -1.603 . . . . 0.0 114.524 -178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.91 -46.67 62.11 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 111.663 -2.517 . . . . 0.0 113.794 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.38 -44.12 11.66 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-O 111.829 -3.939 . . . . 0.0 112.53 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -71.37 -44.87 64.18 Favored 'General case' 0 N--CA 1.522 3.174 0 CA-C-N 122.105 2.229 . . . . 0.0 110.92 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.1 mt -53.51 -49.63 67.15 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.07 -27.13 65.24 Favored 'General case' 0 C--N 1.37 1.467 0 O-C-N 118.375 -2.703 . . . . 0.0 112.103 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -70.83 -38.88 73.26 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 128.222 2.609 . . . . 0.0 107.501 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -76.65 -37.82 55.61 Favored 'General case' 0 N--CA 1.415 -2.176 0 O-C-N 125.512 1.757 . . . . 0.0 113.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -68.44 -40.0 81.29 Favored 'General case' 0 N--CA 1.505 2.281 0 CA-C-N 112.509 -2.132 . . . . 0.0 107.002 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.341 4.5 p30 -64.57 -21.96 66.84 Favored 'General case' 0 C--O 1.272 2.276 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -92.33 -42.22 9.93 Favored 'General case' 0 N--CA 1.386 -3.673 0 O-C-N 119.712 -1.867 . . . . 0.0 112.775 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -145.12 137.56 26.01 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 119.804 -1.81 . . . . 0.0 110.617 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -88.47 22.51 2.52 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -157.51 177.98 10.8 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 127.189 2.195 . . . . 0.0 107.007 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 mt -143.88 163.2 34.08 Favored 'General case' 0 N--CA 1.524 3.227 1 CA-C-N 126.023 4.01 . . . . 0.0 112.829 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -101.12 164.16 11.94 Favored 'General case' 0 CA--C 1.582 2.184 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.28 -49.17 64.64 Favored 'General case' 0 CA--C 1.621 3.676 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.72 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -64.76 -36.69 85.12 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 119.498 1.044 . . . . 0.0 113.124 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -76.17 -36.14 58.84 Favored 'General case' 0 CA--C 1.565 1.555 0 O-C-N 120.387 -1.445 . . . . 0.0 111.313 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . 0.273 75.0 mtm-85 -50.34 -41.56 51.55 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.318 2.247 . . . . 0.0 114.824 167.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -37.72 76.42 Favored 'General case' 0 C--O 1.255 1.389 0 O-C-N 118.114 -2.866 . . . . 0.0 108.448 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.62 -49.33 77.87 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 113.855 -2.974 . . . . 0.0 113.801 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.31 -37.14 84.45 Favored 'General case' 0 C--O 1.269 2.105 0 C-N-CA 126.193 1.797 . . . . 0.0 113.265 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 t -62.52 -42.58 99.61 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 125.001 1.32 . . . . 0.0 111.849 171.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 m -65.7 -45.67 81.89 Favored 'General case' 1 N--CA 1.539 4.018 0 CA-C-N 123.177 2.717 . . . . 0.0 110.732 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.251 46.5 tp10 -86.89 -32.85 19.98 Favored 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 116.023 -1.941 . . . . 0.0 112.927 -162.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -93.45 -19.12 21.58 Favored 'General case' 0 CA--C 1.589 2.47 0 CA-C-O 113.283 -3.246 . . . . 0.0 115.283 166.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.57 50.52 4.98 Favored Glycine 0 C--N 1.393 3.703 0 O-C-N 125.951 2.032 . . . . 0.0 110.826 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -127.62 159.39 34.82 Favored 'General case' 0 N--CA 1.529 3.477 0 O-C-N 116.953 -3.675 . . . . 0.0 110.583 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . 0.275 7.8 p30 -79.4 152.57 30.28 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 129.927 3.291 . . . . 0.0 115.114 170.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.33 -23.24 66.65 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.418 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.14 -37.93 69.33 Favored 'General case' 0 N--CA 1.419 -1.986 0 O-C-N 124.35 1.031 . . . . 0.0 111.703 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -72.98 -26.8 61.48 Favored 'General case' 0 N--CA 1.527 3.419 0 O-C-N 118.437 -2.664 . . . . 0.0 113.666 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.6 mt -84.32 -35.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 127.332 2.895 . . . . 0.0 108.999 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -59.15 -27.45 65.66 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 129.738 3.215 . . . . 0.0 115.88 167.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.321 83.1 mt -92.95 -34.67 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 126.333 1.853 . . . . 0.0 106.28 -173.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -69.34 -44.98 70.54 Favored 'General case' 0 C--N 1.371 1.511 0 O-C-N 125.172 1.545 . . . . 0.0 111.97 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -65.99 -26.48 67.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 117.571 -3.206 . . . . 0.0 111.137 172.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.46 -59.19 2.84 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 120.243 1.383 . . . . 0.0 111.155 166.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -80.13 -11.09 59.78 Favored 'General case' 0 CA--C 1.559 1.292 0 O-C-N 117.606 -3.184 . . . . 0.0 107.269 -162.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.97 -29.91 68.23 Favored 'General case' 0 C--N 1.393 2.493 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 mtp-105 -67.09 -35.45 79.84 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 115.472 -2.491 . . . . 0.0 116.251 -172.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -27.53 69.18 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 125.316 1.635 . . . . 0.0 114.919 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.32 -10.99 59.46 Favored 'General case' 0 C--O 1.289 3.141 0 N-CA-C 117.276 2.324 . . . . 0.0 117.276 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 59' ' ' ILE . 2.1 mt -124.44 36.34 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.26 1.655 0 C-N-CA 127.507 2.323 . . . . 0.0 117.145 167.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -69.02 -31.24 69.92 Favored 'General case' 0 CA--C 1.586 2.346 0 CA-C-O 115.405 -2.236 . . . . 0.0 106.667 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -70.17 134.77 48.46 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 127.027 2.131 . . . . 0.0 114.706 166.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 p -141.75 -25.22 0.69 Allowed 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.381 3.072 . . . . 0.0 112.518 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.54 -150.91 5.22 Favored Glycine 0 N--CA 1.486 2.022 0 CA-C-N 122.331 2.332 . . . . 0.0 118.357 170.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 1 C--N 1.431 4.119 0 C-N-CA 130.876 3.671 . . . . 0.0 105.672 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.939 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.9 2.51 Favored 'General case' 0 C--O 1.263 1.806 0 CA-C-N 112.275 -1.962 . . . . 0.0 110.642 -160.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.6 mtp -137.47 139.19 40.43 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 128.03 2.532 . . . . 0.0 111.965 -174.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -140.31 133.04 28.96 Favored 'General case' 0 C--O 1.188 -2.18 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.348 8.0 ptpt -69.06 -3.25 12.44 Favored 'General case' 0 N--CA 1.535 3.824 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.6 158.0 27.06 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-N 122.614 2.461 . . . . 0.0 109.949 -176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -73.21 120.51 6.61 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.678 1.585 . . . . 0.0 111.778 167.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -112.5 133.83 54.35 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 127.695 3.122 . . . . 0.0 117.558 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.27 75.5 p -65.85 130.07 41.98 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-O 115.727 -2.082 . . . . 0.0 110.124 156.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.82 56.67 2.78 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 123.584 2.902 . . . . 0.0 111.092 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -133.94 138.44 45.49 Favored 'General case' 0 CA--C 1.62 3.663 1 C-N-CA 133.401 4.68 . . . . 0.0 109.986 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 p -76.95 166.44 23.32 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 124.475 2.083 . . . . 0.0 107.623 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -74.2 -42.68 59.44 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 130.304 3.441 . . . . 0.0 108.06 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.69 -40.8 96.0 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 119.309 -2.119 . . . . 0.0 109.929 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.7 -43.71 98.34 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.051 0.844 . . . . 0.0 110.323 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.251 19.4 mt -63.95 -32.66 74.28 Favored 'General case' 0 C--O 1.252 1.221 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.47 172.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -14.49 61.95 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -166.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -98.09 -30.9 12.41 Favored 'General case' 0 N--CA 1.528 3.448 0 CA-C-N 122.815 2.552 . . . . 0.0 109.411 172.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.42 -47.82 69.28 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-O 127.452 3.501 . . . . 0.0 112.648 173.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -53.52 -29.03 34.58 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 114.828 -4.92 . . . . 0.0 116.413 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.25 79.9 mtt85 -99.99 -7.3 25.26 Favored 'General case' 0 C--N 1.325 -0.499 1 C-N-CA 133.135 4.574 . . . . 0.0 115.339 -174.514 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' HD21 ' A' ' 37' ' ' LEU . 67.9 mm-40 -91.92 -42.38 10.07 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.318 -1.489 . . . . 0.0 108.474 159.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 127.484 2.314 . . . . 0.0 111.795 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.255 53.0 p-10 -67.08 -13.93 62.41 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 176.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -101.74 -41.21 6.63 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 120.393 -1.442 . . . . 0.0 110.837 172.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -145.94 121.8 10.62 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 118.319 -2.738 . . . . 0.0 108.217 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -80.03 6.43 11.47 Favored 'General case' 0 N--CA 1.401 -2.899 0 C-N-CA 127.803 2.441 . . . . 0.0 114.762 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -135.25 160.96 36.76 Favored 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 128.863 2.865 . . . . 0.0 113.047 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -130.81 174.71 9.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.933 170.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 75.3 p -110.44 172.76 6.68 Favored 'General case' 0 C--N 1.375 1.715 1 C-N-CA 136.29 5.836 . . . . 0.0 116.009 172.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 8.7 mp0 -57.12 -59.2 5.45 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 119.635 -1.916 . . . . 0.0 111.02 174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -54.29 -32.8 57.27 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 128.453 2.701 . . . . 0.0 116.462 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -80.68 -37.16 31.31 Favored 'General case' 0 CA--C 1.575 1.929 0 C-N-CA 127.714 2.406 . . . . 0.0 113.944 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -56.76 -32.32 65.49 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-N 120.462 1.483 . . . . 0.0 111.562 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . 0.331 0.6 OUTLIER -68.12 -37.7 81.4 Favored 'General case' 0 C--N 1.393 2.472 0 C-N-CA 125.278 1.431 . . . . 0.0 112.776 177.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -63.67 -50.08 70.67 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 122.939 2.609 . . . . 0.0 111.35 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD21 ' HG3' ' A' ' 22' ' ' GLU . 74.7 mt -62.56 -41.49 98.94 Favored 'General case' 0 C--O 1.178 -2.667 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 125.479 1.511 . . . . 0.0 114.813 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.8 m -79.67 -56.84 4.0 Favored 'General case' 0 CA--C 1.477 -1.856 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -76.08 -22.12 55.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 118.373 -2.705 . . . . 0.0 111.828 -158.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.26 -3.77 15.22 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 119.041 -2.287 . . . . 0.0 112.49 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.65 38.41 16.93 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 120.258 1.39 . . . . 0.0 114.493 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -121.72 149.86 42.64 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 128.077 2.551 . . . . 0.0 114.996 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.47 163.84 24.42 Favored 'General case' 0 C--O 1.255 1.364 1 O-C-N 114.656 -5.027 . . . . 0.0 111.205 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.2 -34.84 77.0 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 119.804 -1.81 . . . . 0.0 109.449 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.34 71.46 Favored 'General case' 0 CA--C 1.557 1.232 0 O-C-N 118.875 -2.391 . . . . 0.0 113.537 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -76.78 -43.93 34.89 Favored 'General case' 0 N--CA 1.499 2.012 0 CA-C-N 120.656 1.571 . . . . 0.0 111.316 -177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mt -54.3 -46.85 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.968 0 C-N-CA 126.798 2.039 . . . . 0.0 108.18 167.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -54.54 -38.26 66.38 Favored 'General case' 1 N--CA 1.547 4.406 0 CA-C-N 121.55 1.977 . . . . 0.0 112.836 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.4 mt -90.22 -35.95 7.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 131.59 3.956 . . . . 0.0 112.53 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -56.0 -57.43 12.14 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 122.482 2.401 . . . . 0.0 113.773 175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -54.57 -28.38 45.58 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 129.477 3.111 . . . . 0.0 112.485 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.23 -56.47 8.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.523 1.63 . . . . 0.0 113.087 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 58' ' ' LYS . 17.1 t-20 -72.1 -23.8 61.39 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.883 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -65.62 -34.97 79.46 Favored 'General case' 0 CA--C 1.586 2.328 0 O-C-N 117.319 -3.363 . . . . 0.0 113.23 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -57.65 -33.24 68.08 Favored 'General case' 0 N--CA 1.538 3.961 0 CA-C-O 116.997 -1.478 . . . . 0.0 108.153 166.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.4 -15.7 60.43 Favored 'General case' 0 C--O 1.275 2.442 0 CA-C-N 121.349 1.886 . . . . 0.0 112.491 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HE2' ' OD1' ' A' ' 54' ' ' ASN . 54.7 mttm -83.28 -12.97 56.15 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.663 1.985 . . . . 0.0 114.117 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . 0.395 4.3 mt -134.85 59.7 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.183 -2.436 0 C-N-CA 125.047 1.339 . . . . 0.0 112.422 -171.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . 0.303 72.3 tttt -64.88 -37.59 88.13 Favored 'General case' 0 N--CA 1.427 -1.603 0 O-C-N 126.936 2.647 . . . . 0.0 112.151 -173.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -99.11 143.07 29.79 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 116.342 -1.79 . . . . 0.0 113.024 168.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.0 p -170.2 -22.04 0.02 OUTLIER 'General case' 0 C--O 1.267 1.974 0 O-C-N 128.146 3.404 . . . . 0.0 112.757 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.5 152.12 2.09 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 128.029 2.728 . . . . 0.0 113.325 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.377 1.786 0 O-C-N 119.818 -1.989 . . . . 0.0 115.264 171.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_