data_1adn_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1adn _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.97 0.891 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -20.96 2.23 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 121.714 0.769 . . . . 0.0 110.803 172.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -40.92 62.99 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.346 0.593 . . . . 0.0 111.094 -176.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -48.2 81.98 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 122.536 1.16 . . . . 0.0 110.613 174.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.34 -73.45 0.05 OUTLIER 'General case' 1 C--N 1.479 6.239 0 CA-C-O 124.701 2.191 . . . . 0.0 112.655 171.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.562 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 26.0 t-105 -68.8 -25.57 64.76 Favored 'General case' 1 C--N 1.489 6.669 0 O-C-N 120.53 -1.356 . . . . 0.0 111.089 -169.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -41.04 78.35 Favored 'General case' 1 C--N 1.482 6.364 0 CA-C-O 122.076 0.941 . . . . 0.0 109.414 171.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 t -49.5 -38.29 29.76 Favored 'General case' 1 C--N 1.483 6.375 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.18 171.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 1.4 t -65.22 -57.36 11.35 Favored 'Isoleucine or valine' 1 C--N 1.492 6.791 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 1 C--N 1.477 6.128 0 O-C-N 119.914 -1.741 . . . . 0.0 109.768 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 121.886 0.851 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.664 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 34.5 m -122.52 152.44 26.85 Favored 'Isoleucine or valine' 1 C--N 1.477 6.119 0 O-C-N 120.87 -1.144 . . . . 0.0 109.767 -170.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -135.05 132.79 38.66 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.55 -1.344 . . . . 0.0 110.489 -171.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.28 99.51 6.74 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.705 0.764 . . . . 0.0 110.729 -172.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -90.98 110.27 22.1 Favored 'Isoleucine or valine' 1 C--N 1.478 6.18 0 CA-C-O 121.583 0.706 . . . . 0.0 110.5 173.025 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -82.12 19.2 1.2 Allowed 'General case' 1 C--N 1.48 6.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.27 -33.59 10.35 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.105 -0.997 . . . . 0.0 110.786 176.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -97.15 -3.48 40.98 Favored 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.94 -0.475 . . . . 0.0 111.193 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.12 42.34 97.04 Favored Glycine 1 C--N 1.479 8.508 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.28 130.55 67.76 Favored 'Isoleucine or valine' 1 C--N 1.483 6.388 0 CA-C-O 122.398 1.094 . . . . 0.0 112.505 174.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE2' ' CG ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -107.87 109.34 20.84 Favored 'General case' 1 C--N 1.479 6.196 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 169.921 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 163.51 32.35 Favored 'General case' 1 C--N 1.477 6.112 0 O-C-N 120.246 -1.534 . . . . 0.0 110.863 -169.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -74.9 140.99 74.6 Favored Pre-proline 1 C--N 1.479 6.231 0 CA-C-O 122.252 1.025 . . . . 0.0 109.386 175.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -11.5 -37.33 0.0 OUTLIER 'Trans proline' 1 C--N 1.475 7.22 2 C-N-CA 129.499 6.799 . . . . 0.0 124.518 -177.39 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -98.89 43.39 1.06 Allowed 'General case' 1 C--N 1.477 6.136 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 103.18 3.16 Favored 'General case' 1 C--N 1.492 6.795 0 O-C-N 120.612 -1.305 . . . . 0.0 109.234 171.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -52.48 7.35 Favored 'General case' 1 C--N 1.481 6.294 0 C-N-CA 123.588 0.755 . . . . 0.0 112.445 -171.136 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.06 143.69 0.16 Allowed 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.192 0.996 . . . . 0.0 110.222 173.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.59 95.98 0.01 OUTLIER 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.804 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -96.68 135.96 37.87 Favored 'General case' 1 C--N 1.482 6.337 0 CA-C-O 121.746 0.784 . . . . 0.0 110.875 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -48.82 172.48 0.02 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.917 0.865 . . . . 0.0 110.831 174.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.32 -172.59 4.23 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 122.753 1.263 . . . . 0.0 111.78 -171.758 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -88.43 18.53 4.44 Favored 'General case' 1 C--N 1.481 6.307 0 CA-C-O 122.122 0.963 . . . . 0.0 110.778 171.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.499 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.18 -23.2 24.88 Favored 'General case' 1 C--N 1.481 6.319 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.083 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 24.85 2.92 Favored 'General case' 1 C--N 1.471 5.876 0 CA-C-O 125.306 2.479 . . . . 0.0 107.19 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' CG1' ' CE1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -99.14 142.14 15.44 Favored 'Isoleucine or valine' 1 C--N 1.498 7.054 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.679 -165.309 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.9 t -127.82 124.54 37.84 Favored 'General case' 1 C--N 1.477 6.109 0 O-C-N 120.472 -1.392 . . . . 0.0 111.648 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CE1' ' CG1' ' A' ' 52' ' ' VAL . 11.3 m-85 -102.13 149.84 23.86 Favored 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.392 1.091 . . . . 0.0 112.315 -171.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -144.08 162.82 35.29 Favored 'General case' 1 C--N 1.478 6.189 0 C-N-CA 123.271 0.629 . . . . 0.0 110.494 177.85 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.62 -41.35 65.62 Favored 'General case' 1 C--N 1.482 6.329 0 O-C-N 119.343 -2.098 . . . . 0.0 112.155 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -131.82 152.07 51.24 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.362 -0.837 . . . . 0.0 111.107 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.73 62.45 Favored 'General case' 1 C--N 1.48 6.254 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -60.65 -28.32 68.49 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.245 -0.909 . . . . 0.0 110.668 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.568 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.49 -64.53 0.88 Allowed 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.549 0.69 . . . . 0.0 111.654 173.689 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 37' ' ' PHE . . . -51.28 -24.39 4.46 Favored 'General case' 1 C--N 1.481 6.319 0 O-C-N 121.421 -0.799 . . . . 0.0 112.516 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' CG ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.62 -48.37 19.34 Favored 'General case' 1 C--N 1.477 6.149 0 O-C-N 121.216 -0.928 . . . . 0.0 110.378 171.994 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.46 -22.76 2.05 Favored 'General case' 1 C--N 1.478 6.178 0 CA-C-O 121.856 0.836 . . . . 0.0 110.763 171.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.67 -42.85 67.0 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 122.586 1.184 . . . . 0.0 109.834 172.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.02 36.71 2.48 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 175.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.55 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -106.26 -172.64 2.12 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-N 115.093 -0.554 . . . . 0.0 112.006 -171.584 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 102.46 10.9 Favored Pre-proline 1 C--N 1.479 6.235 0 O-C-N 120.875 -1.14 . . . . 0.0 112.441 -171.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.579 ' CG ' ' CE2' ' A' ' 37' ' ' PHE . 32.3 Cg_exo -63.05 95.73 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.408 1 C-N-CA 127.471 5.447 . . . . 0.0 115.53 -179.483 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.39 114.64 27.67 Favored 'General case' 1 C--N 1.483 6.393 0 CA-C-O 123.751 1.738 . . . . 0.0 113.125 170.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -120.75 26.13 9.29 Favored 'General case' 1 C--N 1.491 6.72 0 CA-C-O 122.791 1.281 . . . . 0.0 110.219 170.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.77 40.8 0.24 Allowed 'General case' 1 C--N 1.481 6.304 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.449 -172.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.353 95.6 m . . . . . 1 C--N 1.484 6.434 1 CA-C-O 130.983 5.183 . . . . 0.0 108.619 -170.694 . . . . . . . . 3 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.11 -33.32 63.55 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.579 0.704 . . . . 0.0 111.374 -172.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -73.43 -51.69 16.36 Favored 'General case' 1 C--N 1.48 6.273 0 CA-C-O 121.953 0.883 . . . . 0.0 110.843 -175.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.43 -42.36 87.14 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 122.293 1.044 . . . . 0.0 110.759 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -76.72 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 123.631 1.681 . . . . 0.0 112.885 173.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 22.6 t-105 -72.0 -32.02 66.8 Favored 'General case' 1 C--N 1.487 6.544 0 O-C-N 120.743 -1.223 . . . . 0.0 111.418 -170.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -55.57 -32.2 62.82 Favored 'General case' 1 C--N 1.481 6.302 0 CA-C-O 121.965 0.888 . . . . 0.0 109.791 171.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -58.02 -41.87 84.06 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.36 171.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.56 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 16.6 t -49.97 -55.93 4.48 Favored 'Isoleucine or valine' 1 C--N 1.494 6.885 0 C-N-CA 119.594 -0.842 . . . . 0.0 111.099 171.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 1 C--N 1.476 6.076 0 CA-C-O 123.463 1.601 . . . . 0.0 109.871 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 CA--C 1.507 -0.701 0 CA-C-O 122.102 0.954 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.624 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 17.6 m -143.74 151.7 16.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.25 -0.906 . . . . 0.0 109.346 -170.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -134.16 143.45 47.92 Favored 'General case' 1 C--N 1.476 6.094 0 O-C-N 120.991 -1.068 . . . . 0.0 110.567 -175.046 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.01 97.14 4.69 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.775 0.798 . . . . 0.0 111.044 -172.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 51' ' ' ASN . 8.4 p -91.42 111.44 23.9 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-O 121.11 0.481 . . . . 0.0 110.594 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -84.26 29.22 0.59 Allowed 'General case' 1 C--N 1.481 6.307 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 -171.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -100.56 -35.01 9.67 Favored 'General case' 1 C--N 1.478 6.17 0 O-C-N 121.056 -1.027 . . . . 0.0 110.939 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 m -110.92 16.91 20.99 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-O 121.404 0.621 . . . . 0.0 111.236 172.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.76 36.51 19.31 Favored Glycine 1 C--N 1.479 8.497 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.1 pt -122.74 135.35 63.1 Favored 'Isoleucine or valine' 1 C--N 1.482 6.336 0 CA-C-O 122.56 1.172 . . . . 0.0 112.005 174.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -114.01 127.76 56.09 Favored 'General case' 1 C--N 1.478 6.158 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 171.257 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -139.39 156.32 47.06 Favored 'General case' 1 C--N 1.477 6.125 0 O-C-N 120.736 -1.227 . . . . 0.0 113.951 -169.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -76.28 113.37 27.8 Favored Pre-proline 1 C--N 1.477 6.111 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.97 82.48 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 126.251 4.634 . . . . 0.0 114.403 -177.63 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -152.48 -34.33 0.13 Allowed 'General case' 1 C--N 1.491 6.747 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 100.03 0.04 OUTLIER 'General case' 1 C--N 1.487 6.586 0 CA-C-O 122.444 1.116 . . . . 0.0 109.182 -171.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -41.28 80.34 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -169.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 177.39 0.42 Allowed 'General case' 1 C--N 1.478 6.159 0 CA-C-O 122.637 1.208 . . . . 0.0 110.183 -171.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -50.69 -27.32 6.8 Favored 'General case' 1 C--N 1.487 6.557 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.224 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t60 40.48 -96.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.514 0.673 . . . . 0.0 112.159 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.14 158.2 16.41 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.816 0.817 . . . . 0.0 111.076 -172.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 168.67 19.52 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.041 0.924 . . . . 0.0 111.158 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 8.84 14.78 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.817 0.818 . . . . 0.0 111.033 171.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.56 -1.18 57.43 Favored 'General case' 1 C--N 1.481 6.312 0 O-C-N 121.053 -1.029 . . . . 0.0 113.704 -170.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -139.14 23.98 2.55 Favored 'General case' 1 C--N 1.471 5.853 0 CA-C-O 125.593 2.616 . . . . 0.0 107.374 171.687 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.71 142.8 15.09 Favored 'Isoleucine or valine' 1 C--N 1.502 7.207 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.785 -165.317 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -105.16 173.2 6.41 Favored 'General case' 1 C--N 1.478 6.152 0 O-C-N 120.464 -1.398 . . . . 0.0 110.886 172.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -135.99 153.96 51.23 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 121.309 -0.87 . . . . 0.0 111.938 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.624 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.66 155.75 39.0 Favored 'General case' 1 C--N 1.481 6.315 0 O-C-N 121.652 -0.655 . . . . 0.0 111.001 172.869 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.35 75.76 Favored 'General case' 1 C--N 1.481 6.311 0 O-C-N 120.638 -1.289 . . . . 0.0 112.061 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -143.82 152.6 41.41 Favored 'General case' 1 C--N 1.48 6.244 0 O-C-N 121.254 -0.904 . . . . 0.0 111.396 174.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.61 -20.12 62.99 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 121.236 0.541 . . . . 0.0 111.704 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.33 -47.2 37.08 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.903 0.859 . . . . 0.0 110.741 177.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.94 -47.53 58.5 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.864 -176.874 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . . . -50.82 -29.05 10.69 Favored 'General case' 1 C--N 1.481 6.296 0 O-C-N 120.983 -1.073 . . . . 0.0 112.29 172.167 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -75.65 -43.29 48.36 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 121.353 -0.842 . . . . 0.0 110.555 173.926 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -24.14 20.08 Favored 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.282 171.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.28 86.41 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.899 1.333 . . . . 0.0 108.947 171.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.36 24.9 6.9 Favored Glycine 1 C--N 1.484 8.77 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 172.303 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -94.08 -173.43 3.11 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-N 114.895 -0.652 . . . . 0.0 112.142 -171.783 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 115.8 65.83 Favored Pre-proline 1 C--N 1.48 6.254 0 O-C-N 120.862 -1.149 . . . . 0.0 112.652 -171.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -59.21 104.16 0.2 Allowed 'Trans proline' 1 C--N 1.482 7.568 1 C-N-CA 126.84 5.027 . . . . 0.0 115.179 -179.071 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.3 t -106.34 104.0 13.6 Favored 'General case' 1 C--N 1.477 6.142 0 CA-C-O 124.056 1.884 . . . . 0.0 110.078 171.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.46 -80.23 0.33 Allowed 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.328 -171.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp85 -62.12 -74.29 0.09 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 171.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--N 1.478 6.18 0 CA-C-O 122.485 1.136 . . . . 0.0 110.893 168.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.243 0.733 0 CA-C-O 121.42 0.629 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -37.7 62.3 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.813 0.815 . . . . 0.0 110.682 174.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -47.57 -75.09 0.03 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.951 0.882 . . . . 0.0 110.638 172.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.59 -42.59 11.35 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.958 0.885 . . . . 0.0 111.237 -174.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -54.64 -78.69 0.02 OUTLIER 'General case' 1 C--N 1.478 6.16 0 CA-C-O 124.067 1.889 . . . . 0.0 113.046 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.493 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 16.6 t-105 -68.17 -25.57 65.32 Favored 'General case' 1 C--N 1.49 6.675 0 O-C-N 120.606 -1.309 . . . . 0.0 110.102 -170.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.67 -41.65 86.65 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 122.087 0.946 . . . . 0.0 109.567 171.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -45.52 -38.35 6.25 Favored 'General case' 1 C--N 1.484 6.423 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.574 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 1.5 t -68.15 -56.32 13.17 Favored 'Isoleucine or valine' 1 C--N 1.494 6.855 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 171.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 1 C--N 1.477 6.128 0 O-C-N 120.043 -1.661 . . . . 0.0 110.252 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.552 0.691 . . . . 0.0 111.994 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.611 ' CG2' ' CG ' ' A' ' 55' ' ' TYR . 1.3 m -128.52 155.41 40.29 Favored 'Isoleucine or valine' 1 C--N 1.478 6.188 0 O-C-N 121.009 -1.057 . . . . 0.0 110.098 -170.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 136.13 36.81 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.76 -1.212 . . . . 0.0 110.371 -171.304 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.46 101.77 8.18 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.117 -0.99 . . . . 0.0 112.083 -174.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -86.13 91.9 3.42 Favored 'Isoleucine or valine' 1 C--N 1.476 6.104 0 CA-C-O 121.423 0.63 . . . . 0.0 109.604 171.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.17 31.47 0.56 Allowed 'General case' 1 C--N 1.482 6.361 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -169.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.4 t -101.46 -42.69 6.17 Favored 'General case' 1 C--N 1.478 6.182 0 O-C-N 120.761 -1.212 . . . . 0.0 109.846 -179.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 m -96.31 -14.48 22.55 Favored 'General case' 1 C--N 1.48 6.259 0 CA-C-O 122.247 1.022 . . . . 0.0 110.058 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 67' ' ' ARG . . . 84.5 61.38 1.8 Allowed Glycine 1 C--N 1.481 8.618 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.661 171.069 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -140.48 137.32 36.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.162 0 O-C-N 120.871 -1.37 . . . . 0.0 111.582 169.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -105.78 108.73 20.39 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 121.552 -0.718 . . . . 0.0 109.135 170.815 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.5 156.83 33.31 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 120.029 -1.67 . . . . 0.0 112.748 -170.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.99 118.78 73.63 Favored Pre-proline 1 C--N 1.476 6.067 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 167.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.563 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -17.35 90.13 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.007 1 C-N-CA 127.046 5.164 . . . . 0.0 115.685 -177.65 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -161.33 -80.59 0.04 OUTLIER 'General case' 1 C--N 1.488 6.621 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -0.35 90.79 0.01 OUTLIER 'General case' 1 C--N 1.482 6.37 0 C-N-CA 125.73 1.612 . . . . 0.0 113.483 -168.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -72.03 3.58 4.27 Favored 'General case' 1 C--N 1.487 6.567 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.815 -171.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 46' ' ' HIS . . . -56.76 -170.9 0.0 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 123.057 1.408 . . . . 0.0 109.829 171.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -19.5 0.03 OUTLIER 'General case' 1 C--N 1.488 6.604 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.488 172.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 44' ' ' ALA . 6.9 t-160 90.81 132.96 0.03 OUTLIER 'General case' 1 C--N 1.478 6.165 0 CA-C-O 122.273 1.035 . . . . 0.0 112.422 170.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.21 121.28 15.88 Favored 'General case' 1 C--N 1.483 6.411 0 CA-C-O 121.879 0.847 . . . . 0.0 110.958 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 157.7 4.53 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.807 0.813 . . . . 0.0 111.049 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -85.99 12.0 10.34 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.598 0.713 . . . . 0.0 111.073 171.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.9 -25.12 23.4 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.681 -0.637 . . . . 0.0 112.338 -171.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' ND2' ' N ' ' A' ' 33' ' ' THR 0.285 8.2 p-10 -131.53 18.68 4.77 Favored 'General case' 1 C--N 1.469 5.766 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -176.274 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.9 145.3 9.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.225 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.387 -163.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.53 171.65 7.39 Favored 'General case' 1 C--N 1.477 6.151 0 O-C-N 120.421 -1.425 . . . . 0.0 110.893 172.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 55' ' ' TYR . 53.0 m-85 -138.1 149.59 46.09 Favored 'General case' 1 C--N 1.483 6.4 0 CA-C-O 122.674 1.226 . . . . 0.0 112.295 176.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.634 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -146.81 157.46 43.67 Favored 'General case' 1 C--N 1.482 6.334 0 C-N-CA 123.853 0.861 . . . . 0.0 109.972 -176.748 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.36 -27.01 32.41 Favored 'General case' 1 C--N 1.479 6.203 0 O-C-N 119.874 -1.766 . . . . 0.0 112.572 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -145.94 153.58 40.97 Favored 'General case' 1 C--N 1.48 6.259 0 O-C-N 121.155 -0.966 . . . . 0.0 111.599 175.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.44 72.58 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.651 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -43.7 -33.85 1.35 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 122.001 0.905 . . . . 0.0 110.978 -174.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.634 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -67.15 -56.24 10.77 Favored 'General case' 1 C--N 1.481 6.318 0 CA-C-O 121.454 0.645 . . . . 0.0 111.295 -179.708 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.591 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -56.01 -30.0 61.19 Favored 'General case' 1 C--N 1.48 6.279 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.022 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.7 pp -78.86 -41.85 28.89 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 121.032 -1.042 . . . . 0.0 110.522 171.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.02 -23.55 5.36 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.895 0.855 . . . . 0.0 110.628 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -73.82 -41.55 62.16 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.612 1.196 . . . . 0.0 109.557 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 112.73 33.92 1.97 Allowed Glycine 1 C--N 1.482 8.68 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 173.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -102.38 -163.3 0.99 Allowed 'General case' 1 C--N 1.48 6.263 0 CA-C-N 114.731 -0.735 . . . . 0.0 111.688 -171.542 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -108.57 131.05 22.02 Favored Pre-proline 1 C--N 1.484 6.431 0 O-C-N 120.333 -1.48 . . . . 0.0 110.168 170.368 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -83.41 62.67 7.41 Favored 'Trans proline' 1 C--N 1.477 7.317 1 C-N-CA 126.321 4.681 . . . . 0.0 114.097 -179.418 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.8 t -41.63 100.51 0.02 OUTLIER 'General case' 1 C--N 1.482 6.345 0 CA-C-O 124.412 2.053 . . . . 0.0 109.791 171.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -79.5 0.34 Allowed 'General case' 1 C--N 1.496 6.953 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.128 -171.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -75.04 0.08 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.478 6.178 0 CA-C-O 122.821 1.296 . . . . 0.0 110.751 168.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.96 0.885 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -23.62 51.2 Favored 'General case' 1 C--N 1.482 6.33 0 CA-C-O 121.858 0.837 . . . . 0.0 110.699 173.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -56.29 24.09 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.16 0.981 . . . . 0.0 110.82 173.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -33.28 75.67 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 122.214 1.007 . . . . 0.0 111.275 -171.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -46.99 -70.44 0.1 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 125.098 2.38 . . . . 0.0 112.319 171.737 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 35.9 t-105 -72.24 -18.11 61.85 Favored 'General case' 1 C--N 1.493 6.81 0 O-C-N 120.546 -1.346 . . . . 0.0 109.834 -171.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -39.01 93.26 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.277 1.037 . . . . 0.0 108.658 170.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.1 m -44.47 -48.0 10.01 Favored 'General case' 1 C--N 1.487 6.56 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.467 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -63.05 -60.84 2.12 Favored 'Isoleucine or valine' 1 C--N 1.493 6.811 0 C-N-CA 119.195 -1.002 . . . . 0.0 113.162 178.062 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 1 C--N 1.476 6.096 0 O-C-N 119.242 -2.161 . . . . 0.0 110.125 -172.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.635 ' CE2' ' CE2' ' A' ' 54' ' ' PHE . 11.4 p90 . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.698 ' CG2' ' CD2' ' A' ' 55' ' ' TYR . 2.5 m -138.32 156.7 30.51 Favored 'Isoleucine or valine' 1 C--N 1.486 6.521 0 C-N-CA 125.187 1.395 . . . . 0.0 109.35 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.52 142.74 47.11 Favored 'General case' 1 C--N 1.477 6.127 0 O-C-N 120.126 -1.608 . . . . 0.0 109.906 -175.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.15 100.79 7.4 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 121.436 -0.79 . . . . 0.0 110.846 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.84 104.18 15.3 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-O 121.86 0.838 . . . . 0.0 110.32 176.192 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -83.65 28.3 0.57 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -170.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -96.27 -41.48 8.64 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 121.207 -0.933 . . . . 0.0 110.754 175.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.5 m -101.67 -5.05 25.49 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.87 54.75 6.94 Favored Glycine 1 C--N 1.478 8.463 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.1 pt -135.72 128.59 47.28 Favored 'Isoleucine or valine' 1 C--N 1.482 6.345 0 CA-C-O 122.409 1.099 . . . . 0.0 112.569 174.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -106.58 118.34 36.42 Favored 'General case' 1 C--N 1.48 6.251 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.041 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 69' ' ' CYS . 14.6 p -159.9 -159.39 0.72 Allowed 'General case' 1 C--N 1.473 5.97 0 O-C-N 120.919 -1.113 . . . . 0.0 110.464 -174.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -94.49 160.9 30.68 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 121.406 0.622 . . . . 0.0 110.021 171.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -23.92 162.57 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.267 1 C-N-CA 128.393 6.062 . . . . 0.0 119.733 -179.241 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 p 0.67 117.1 0.0 OUTLIER 'General case' 1 C--N 1.484 6.451 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 -171.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 m -92.43 162.97 14.02 Favored 'General case' 1 C--N 1.49 6.687 0 CA-C-O 123.237 1.494 . . . . 0.0 112.745 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -6.34 -59.17 0.0 OUTLIER 'General case' 1 C--N 1.479 6.22 0 C-N-CA 126.011 1.724 . . . . 0.0 114.276 170.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.24 -174.35 3.66 Favored 'General case' 1 C--N 1.477 6.148 0 CA-C-O 124.052 1.882 . . . . 0.0 112.88 -169.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -41.86 -21.32 0.02 OUTLIER 'General case' 1 C--N 1.489 6.672 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.92 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 89.02 102.55 0.03 OUTLIER 'General case' 1 C--N 1.478 6.17 0 CA-C-O 122.394 1.092 . . . . 0.0 110.779 171.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -46.46 149.27 0.8 Allowed 'General case' 1 C--N 1.483 6.389 0 CA-C-O 121.953 0.882 . . . . 0.0 110.917 -172.166 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.63 174.13 8.76 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.755 0.788 . . . . 0.0 110.926 -177.847 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -83.22 9.28 11.01 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.721 -0.612 . . . . 0.0 111.686 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.515 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.4 -10.7 51.31 Favored 'General case' 1 C--N 1.479 6.236 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -170.387 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.73 21.19 2.69 Favored 'General case' 1 C--N 1.47 5.836 0 CA-C-O 124.908 2.289 . . . . 0.0 107.557 172.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -98.95 143.87 12.64 Favored 'Isoleucine or valine' 1 C--N 1.496 6.945 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.39 -165.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -111.55 177.55 4.62 Favored 'General case' 1 C--N 1.477 6.119 0 O-C-N 120.601 -1.312 . . . . 0.0 110.825 175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CE2' ' CE2' ' A' ' 27' ' ' PHE . 7.0 m-85 -148.31 141.05 24.6 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.652 1.215 . . . . 0.0 112.796 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.698 ' CD2' ' CG2' ' A' ' 28' ' ' VAL . 3.4 m-85 -145.97 156.73 43.71 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.672 -174.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -9.15 58.19 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 120.179 -1.575 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -162.09 160.27 27.19 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.772 0.796 . . . . 0.0 110.802 171.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.63 68.92 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.615 0.721 . . . . 0.0 111.269 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -55.56 -28.55 55.58 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.787 0.803 . . . . 0.0 110.845 -175.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' CG ' ' CD1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -69.51 -62.19 1.48 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.604 0.716 . . . . 0.0 111.374 173.849 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.57 ' CB ' ' CD1' ' A' ' 37' ' ' PHE . . . -54.46 -22.12 11.83 Favored 'General case' 1 C--N 1.48 6.277 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.4 pp -81.1 -43.39 19.52 Favored 'General case' 1 C--N 1.478 6.159 0 O-C-N 120.815 -1.178 . . . . 0.0 110.69 171.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.67 -26.43 9.16 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.916 0.865 . . . . 0.0 110.537 171.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.68 75.76 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-O 122.962 1.363 . . . . 0.0 109.392 171.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 108.61 37.74 2.02 Favored Glycine 1 C--N 1.483 8.722 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 172.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -107.47 -177.72 3.43 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-N 114.635 -0.783 . . . . 0.0 112.265 -170.808 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.9 116.11 64.97 Favored Pre-proline 1 C--N 1.479 6.204 0 CA-C-O 122.492 1.139 . . . . 0.0 113.18 -170.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -55.29 121.04 9.2 Favored 'Trans proline' 1 C--N 1.485 7.75 1 C-N-CA 127.004 5.136 . . . . 0.0 115.282 -179.574 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' CYS 0.363 7.3 t -131.25 84.37 2.17 Favored 'General case' 1 C--N 1.476 6.102 0 CA-C-O 127.33 3.443 . . . . 0.0 108.689 171.117 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -90.61 0.0 OUTLIER 'General case' 1 C--N 1.506 7.371 0 O-C-N 118.607 -2.558 . . . . 0.0 112.761 -167.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -68.3 0.29 Allowed 'General case' 1 C--N 1.482 6.332 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 171.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--N 1.478 6.177 0 CA-C-O 123.712 1.72 . . . . 0.0 110.351 166.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.866 0.841 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.33 -19.86 9.93 Favored 'General case' 1 C--N 1.481 6.295 0 CA-C-O 121.845 0.831 . . . . 0.0 110.871 172.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.22 -49.67 68.8 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.881 0.848 . . . . 0.0 110.867 177.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -46.75 70.75 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.473 1.13 . . . . 0.0 110.934 -176.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -40.71 -70.27 0.11 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 124.69 2.186 . . . . 0.0 112.214 173.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.554 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 28.7 t-105 -72.14 -28.56 63.33 Favored 'General case' 1 C--N 1.489 6.639 0 O-C-N 120.622 -1.298 . . . . 0.0 111.204 -170.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.22 -34.25 63.79 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 122.097 0.951 . . . . 0.0 109.572 171.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -58.85 -41.2 86.43 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.647 171.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.554 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 2.8 t -53.86 -57.26 5.95 Favored 'Isoleucine or valine' 1 C--N 1.494 6.851 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.017 171.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 1 C--N 1.476 6.097 0 CA-C-O 123.75 1.738 . . . . 0.0 109.084 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.507 -0.684 0 CA-C-O 123.049 1.404 . . . . 0.0 112.925 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 58' ' ' ALA . 1.7 m -128.99 160.35 39.95 Favored 'Isoleucine or valine' 1 C--N 1.483 6.383 0 C-N-CA 124.432 1.093 . . . . 0.0 109.876 -172.144 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -134.88 159.63 40.79 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.523 -1.361 . . . . 0.0 109.895 174.283 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.92 5.57 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 120.971 -1.081 . . . . 0.0 111.6 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 7.7 p -96.35 102.27 13.32 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.007 176.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.21 50.65 2.02 Favored 'General case' 1 C--N 1.478 6.153 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -44.18 8.02 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 120.434 -1.416 . . . . 0.0 110.043 178.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.4 m -112.27 -40.55 4.13 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-O 122.47 1.129 . . . . 0.0 110.013 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.03 72.14 0.14 Allowed Glycine 1 C--N 1.486 8.869 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.368 171.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -137.75 136.3 45.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.235 0 O-C-N 121.077 -1.249 . . . . 0.0 111.482 171.455 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 7.4 p90 -112.94 111.58 22.44 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.417 -0.802 . . . . 0.0 109.167 171.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.8 t -127.47 159.19 35.3 Favored 'General case' 1 C--N 1.478 6.167 0 O-C-N 120.242 -1.536 . . . . 0.0 112.79 -170.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.19 122.8 87.51 Favored Pre-proline 1 C--N 1.475 6.046 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 167.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.578 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -13.69 59.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.887 1 C-N-CA 128.577 6.185 . . . . 0.0 120.083 -176.56 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.48 118.41 0.04 OUTLIER 'General case' 1 C--N 1.48 6.277 0 O-C-N 120.814 -1.179 . . . . 0.0 113.147 171.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -142.43 96.37 2.94 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 120.408 -1.433 . . . . 0.0 109.981 168.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -2.19 -74.04 0.0 OUTLIER 'General case' 1 C--N 1.477 6.109 0 C-N-CA 125.63 1.572 . . . . 0.0 113.085 170.506 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 102.17 0.04 OUTLIER 'General case' 1 C--N 1.483 6.384 0 O-C-N 121.443 -0.785 . . . . 0.0 110.175 172.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.37 98.23 0.01 OUTLIER 'General case' 1 C--N 1.481 6.304 0 CA-C-O 122.824 1.297 . . . . 0.0 110.81 -170.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.33 156.15 0.12 Allowed 'General case' 1 C--N 1.484 6.413 0 CA-C-O 122.644 1.212 . . . . 0.0 112.605 -171.166 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -54.97 -173.19 0.0 OUTLIER 'General case' 1 C--N 1.483 6.405 0 CA-C-O 121.949 0.88 . . . . 0.0 110.836 173.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.89 176.5 8.85 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.895 0.855 . . . . 0.0 110.863 -176.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 14.11 7.46 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.321 1.058 . . . . 0.0 111.4 171.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.49 -16.56 32.39 Favored 'General case' 1 C--N 1.483 6.4 0 O-C-N 121.273 -0.892 . . . . 0.0 112.831 -170.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.76 24.0 3.37 Favored 'General case' 1 C--N 1.471 5.86 0 CA-C-O 125.443 2.544 . . . . 0.0 107.102 178.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.54 153.41 4.68 Favored 'Isoleucine or valine' 1 C--N 1.5 7.121 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.122 -165.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 172.45 7.77 Favored 'General case' 1 C--N 1.476 6.092 0 O-C-N 119.814 -1.804 . . . . 0.0 110.919 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 55' ' ' TYR . 26.1 m-85 -143.75 132.97 23.1 Favored 'General case' 1 C--N 1.481 6.314 0 CA-C-O 123.006 1.384 . . . . 0.0 111.585 -176.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.645 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -139.63 160.66 39.36 Favored 'General case' 1 C--N 1.481 6.283 0 C-N-CA 124.148 0.979 . . . . 0.0 110.073 -171.478 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -28.72 55.96 Favored 'General case' 1 C--N 1.48 6.27 0 O-C-N 119.381 -2.074 . . . . 0.0 112.884 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.12 159.11 43.74 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.1 -1.0 . . . . 0.0 112.054 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 37' ' ' PHE . . . -68.04 -8.88 41.54 Favored 'General case' 1 C--N 1.482 6.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.145 173.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -66.24 -32.48 73.93 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.296 -0.878 . . . . 0.0 110.752 173.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.645 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -70.1 -57.01 5.45 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.441 0.638 . . . . 0.0 111.452 173.507 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.562 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -57.25 -16.62 8.83 Favored 'General case' 1 C--N 1.479 6.202 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -49.35 9.81 Favored 'General case' 1 C--N 1.476 6.088 0 O-C-N 120.598 -1.314 . . . . 0.0 109.865 170.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.21 -22.11 4.04 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.712 0.768 . . . . 0.0 111.091 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -71.74 -42.35 67.38 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.682 1.23 . . . . 0.0 109.544 172.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.82 36.05 2.87 Favored Glycine 1 C--N 1.483 8.737 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 173.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.99 -165.46 1.19 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-N 114.601 -0.8 . . . . 0.0 111.716 -171.182 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -97.61 117.74 64.99 Favored Pre-proline 1 C--N 1.479 6.209 0 O-C-N 120.728 -1.232 . . . . 0.0 112.302 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 103.43 0.31 Allowed 'Trans proline' 1 C--N 1.48 7.495 1 C-N-CA 126.963 5.109 . . . . 0.0 114.915 -178.823 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.47 96.72 6.04 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.43 -89.64 0.12 Allowed 'General case' 1 C--N 1.495 6.905 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.946 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -68.75 0.24 Allowed 'General case' 1 C--N 1.477 6.141 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 169.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--N 1.479 6.215 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 169.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 121.667 0.746 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -39.38 61.38 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 122.203 1.001 . . . . 0.0 110.95 -178.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -29.42 36.8 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.975 -173.287 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -68.72 -47.04 67.36 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 122.443 1.116 . . . . 0.0 110.812 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -71.06 0.09 Allowed 'General case' 1 C--N 1.479 6.212 0 CA-C-O 124.028 1.871 . . . . 0.0 113.131 177.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.541 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 50.3 t-105 -77.36 -32.12 54.83 Favored 'General case' 1 C--N 1.484 6.417 0 O-C-N 120.678 -1.264 . . . . 0.0 112.905 -168.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.4 -22.29 19.29 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-O 122.204 1.002 . . . . 0.0 109.444 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.9 m -71.45 -44.33 65.01 Favored 'General case' 1 C--N 1.483 6.404 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.707 171.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.541 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 7.5 t -49.98 -56.84 2.83 Favored 'Isoleucine or valine' 1 C--N 1.496 6.944 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.014 171.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 1 C--N 1.476 6.098 0 CA-C-O 123.489 1.614 . . . . 0.0 109.791 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 CA--C 1.506 -0.742 0 CA-C-O 123.064 1.412 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.649 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 1.4 m -136.5 153.57 31.07 Favored 'Isoleucine or valine' 1 C--N 1.486 6.543 0 O-C-N 120.902 -1.124 . . . . 0.0 109.7 -172.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -135.72 142.33 45.03 Favored 'General case' 1 C--N 1.477 6.115 0 O-C-N 121.059 -1.025 . . . . 0.0 110.083 -172.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' CB ' ' CE2' ' A' ' 66' ' ' PHE . . . -122.14 107.14 11.83 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.378 -0.826 . . . . 0.0 111.3 -175.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG2' ' ND2' ' A' ' 51' ' ' ASN . 3.3 p -84.1 106.62 14.6 Favored 'Isoleucine or valine' 1 C--N 1.479 6.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.061 171.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -80.39 10.28 4.81 Favored 'General case' 1 C--N 1.48 6.243 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -91.14 -33.24 15.52 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 120.95 -1.094 . . . . 0.0 110.759 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -102.92 2.68 35.52 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 171.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.78 45.62 93.26 Favored Glycine 1 C--N 1.48 8.569 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 174.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.5 pt -132.6 142.7 41.82 Favored 'Isoleucine or valine' 1 C--N 1.481 6.321 0 CA-C-O 122.156 0.979 . . . . 0.0 112.3 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 7.1 p90 -116.99 129.85 56.3 Favored 'General case' 1 C--N 1.479 6.209 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.1 t -146.15 159.68 42.97 Favored 'General case' 1 C--N 1.475 6.045 0 O-C-N 120.944 -1.097 . . . . 0.0 111.682 -171.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -74.82 114.48 34.98 Favored Pre-proline 1 C--N 1.477 6.139 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 168.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -20.36 79.58 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.091 1 C-N-CA 127.013 5.142 . . . . 0.0 116.406 -177.613 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.19 14.47 0.0 OUTLIER 'General case' 1 C--N 1.489 6.663 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 174.408 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.9 m -44.27 138.41 3.08 Favored 'General case' 1 C--N 1.478 6.152 0 CA-C-N 122.411 2.369 . . . . 0.0 110.413 171.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -95.53 -3.07 47.24 Favored 'General case' 1 C--N 1.479 6.216 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.72 -178.93 3.87 Favored 'General case' 1 C--N 1.477 6.144 0 CA-C-O 122.946 1.355 . . . . 0.0 109.728 170.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 94.07 0.01 OUTLIER 'General case' 1 C--N 1.489 6.671 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.618 172.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -23.69 112.16 0.03 OUTLIER 'General case' 1 C--N 1.477 6.149 0 C-N-CA 124.365 1.066 . . . . 0.0 113.753 -170.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.05 156.65 0.02 OUTLIER 'General case' 1 C--N 1.482 6.339 0 CA-C-O 121.863 0.84 . . . . 0.0 111.043 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.12 129.48 34.49 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.48 0.657 . . . . 0.0 111.096 -174.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -62.97 -15.16 55.02 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.734 0.778 . . . . 0.0 111.602 171.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 0.62 54.76 Favored 'General case' 1 C--N 1.48 6.273 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' ND2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.26 21.37 2.98 Favored 'General case' 1 C--N 1.47 5.805 0 CA-C-O 125.275 2.464 . . . . 0.0 107.327 171.018 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.48 145.29 11.27 Favored 'Isoleucine or valine' 1 C--N 1.497 7.013 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.327 -164.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 176.63 5.08 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 120.33 -1.481 . . . . 0.0 110.901 175.352 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.11 148.87 42.33 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 123.384 1.564 . . . . 0.0 113.111 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.649 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -146.93 161.46 40.7 Favored 'General case' 1 C--N 1.482 6.331 0 C-N-CA 124.728 1.211 . . . . 0.0 109.844 -178.742 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.0 54.08 Favored 'General case' 1 C--N 1.48 6.276 0 O-C-N 119.105 -2.247 . . . . 0.0 113.136 172.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -160.96 162.6 31.98 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.008 -1.057 . . . . 0.0 112.063 178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.17 -21.76 2.19 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-O 121.706 0.765 . . . . 0.0 111.179 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -51.62 -56.02 15.95 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.141 0.972 . . . . 0.0 110.984 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -74.82 -41.79 59.26 Favored 'General case' 1 C--N 1.482 6.333 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.263 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.82 62.29 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 120.812 -1.18 . . . . 0.0 113.573 171.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -81.43 -52.65 7.03 Favored 'General case' 1 C--N 1.477 6.135 0 O-C-N 120.633 -1.292 . . . . 0.0 110.57 173.364 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.49 -19.63 3.91 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.534 0.683 . . . . 0.0 110.776 171.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -68.01 -43.77 78.09 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.143 1.449 . . . . 0.0 108.115 171.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 109.74 36.72 1.99 Allowed Glycine 1 C--N 1.486 8.88 0 CA-C-N 113.834 -1.53 . . . . 0.0 109.394 171.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.469 ' CE2' ' C ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -105.45 -174.09 2.45 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.709 -0.746 . . . . 0.0 112.472 -171.01 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -94.79 118.39 66.78 Favored Pre-proline 1 C--N 1.479 6.203 0 O-C-N 121.134 -0.979 . . . . 0.0 111.232 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -65.84 91.43 0.25 Allowed 'Trans proline' 1 C--N 1.486 7.791 1 C-N-CA 127.771 5.647 . . . . 0.0 119.828 -177.882 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.31 93.92 5.23 Favored 'General case' 1 C--N 1.479 6.239 0 CA-C-O 125.011 2.338 . . . . 0.0 110.215 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -122.14 31.41 6.19 Favored 'General case' 1 C--N 1.5 7.123 0 CA-C-O 123.011 1.386 . . . . 0.0 111.371 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.49 47.22 0.0 OUTLIER 'General case' 1 C--N 1.482 6.362 0 CA-C-O 121.927 0.87 . . . . 0.0 109.419 -176.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.397 85.9 m . . . . . 1 C--N 1.477 6.14 1 CA-C-O 131.719 5.533 . . . . 0.0 107.227 -167.29 . . . . . . . . 3 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 121.941 0.877 . . . . 0.0 111.86 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -22.51 32.92 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 121.772 0.796 . . . . 0.0 111.013 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.39 -41.9 96.42 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.536 0.684 . . . . 0.0 110.985 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -46.46 68.28 Favored 'General case' 1 C--N 1.48 6.244 0 CA-C-O 122.547 1.165 . . . . 0.0 111.111 -178.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.28 0.19 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 125.195 2.426 . . . . 0.0 112.59 174.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.541 ' CB ' ' CZ ' ' A' ' 54' ' ' PHE . 44.6 t-105 -75.58 -17.52 60.01 Favored 'General case' 1 C--N 1.491 6.732 0 O-C-N 120.432 -1.418 . . . . 0.0 110.686 -170.363 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -65.56 -32.76 74.53 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.473 1.13 . . . . 0.0 108.911 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -40.05 72.66 Favored 'General case' 1 C--N 1.483 6.379 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.194 170.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t -64.95 -57.91 9.24 Favored 'Isoleucine or valine' 1 C--N 1.499 7.085 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.254 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 1 C--N 1.477 6.12 0 O-C-N 119.279 -2.138 . . . . 0.0 112.315 -175.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.505 -0.773 0 CA-C-O 122.136 0.97 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -150.84 159.54 4.42 Favored 'Isoleucine or valine' 1 C--N 1.48 6.279 0 O-C-N 121.316 -0.865 . . . . 0.0 111.096 -169.006 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -138.83 132.13 30.05 Favored 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 178.822 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.45 107.98 14.47 Favored 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.836 0.827 . . . . 0.0 111.563 -172.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 7.3 p -95.28 96.78 6.08 Favored 'Isoleucine or valine' 1 C--N 1.478 6.196 0 O-C-N 121.913 -0.492 . . . . 0.0 110.407 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -86.15 79.34 9.15 Favored 'General case' 1 C--N 1.48 6.277 0 O-C-N 121.273 -0.892 . . . . 0.0 112.29 -171.413 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.52 -54.21 0.61 Allowed 'General case' 1 C--N 1.478 6.165 0 CA-C-O 121.9 0.857 . . . . 0.0 110.574 173.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.91 3.1 49.74 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 171.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.38 51.14 6.85 Favored Glycine 1 C--N 1.479 8.504 0 O-C-N 121.364 -0.835 . . . . 0.0 111.566 172.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -131.85 132.67 61.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.238 0 O-C-N 121.458 -1.025 . . . . 0.0 110.913 171.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 2.1 p90 -119.96 146.43 45.84 Favored 'General case' 1 C--N 1.477 6.135 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -156.74 157.92 35.97 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -168.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 105.01 2.08 Favored Pre-proline 1 C--N 1.475 6.052 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 166.745 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.36 83.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.023 1 C-N-CA 127.391 5.394 . . . . 0.0 118.17 -176.633 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 26.06 0.0 OUTLIER 'General case' 1 C--N 1.489 6.647 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 172.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.04 118.92 6.87 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-N 122.417 2.371 . . . . 0.0 109.209 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -34.02 57.58 Favored 'General case' 1 C--N 1.479 6.224 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -168.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -170.88 0.01 OUTLIER 'General case' 1 C--N 1.479 6.205 0 O-C-N 120.567 -1.333 . . . . 0.0 109.34 170.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.6 87.49 0.01 OUTLIER 'General case' 1 C--N 1.488 6.601 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.686 171.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -68.29 155.05 40.54 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.58 1.181 . . . . 0.0 113.288 -170.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -49.58 147.52 3.43 Favored 'General case' 1 C--N 1.485 6.477 0 CA-C-O 121.795 0.807 . . . . 0.0 111.006 -172.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 159.07 27.47 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.736 0.779 . . . . 0.0 110.627 172.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.05 13.16 9.77 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.337 0.589 . . . . 0.0 110.872 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.88 -25.52 23.22 Favored 'General case' 1 C--N 1.479 6.232 0 O-C-N 121.653 -0.655 . . . . 0.0 112.467 -171.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.403 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.28 8.6 p-10 -130.39 18.69 5.33 Favored 'General case' 1 C--N 1.468 5.72 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -172.965 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -98.58 145.45 9.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.473 -163.415 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -116.68 -177.52 3.21 Favored 'General case' 1 C--N 1.477 6.138 0 O-C-N 120.235 -1.54 . . . . 0.0 110.881 173.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.541 ' CZ ' ' CB ' ' A' ' 13' ' ' TRP . 33.6 m-85 -150.46 133.03 15.74 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.152 -0.968 . . . . 0.0 112.188 -176.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.532 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -135.37 154.33 51.53 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 121.714 -0.616 . . . . 0.0 110.261 -179.67 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -17.62 61.4 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.419 -1.425 . . . . 0.0 111.918 -175.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.19 166.6 29.37 Favored 'General case' 1 C--N 1.481 6.319 0 CA-C-O 122.837 1.303 . . . . 0.0 112.296 171.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.81 -54.46 9.79 Favored 'General case' 1 C--N 1.483 6.371 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t -48.52 -19.45 0.33 Allowed 'General case' 1 C--N 1.479 6.227 0 O-C-N 121.067 -1.021 . . . . 0.0 112.862 -170.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.532 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -77.59 -69.04 0.56 Allowed 'General case' 1 C--N 1.477 6.144 0 O-C-N 121.054 -1.028 . . . . 0.0 111.166 171.975 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.554 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . . . -50.25 -15.72 0.26 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -86.88 -44.36 11.74 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 174.804 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -30.36 25.7 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.801 0.81 . . . . 0.0 110.644 171.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.23 89.12 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.875 1.322 . . . . 0.0 108.746 171.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 100.33 46.2 1.88 Allowed Glycine 1 C--N 1.485 8.846 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 171.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.592 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -110.15 -178.14 3.44 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-N 115.089 -0.555 . . . . 0.0 112.15 -171.113 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 98.43 3.57 Favored Pre-proline 1 C--N 1.478 6.185 0 O-C-N 120.936 -1.103 . . . . 0.0 111.242 -171.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 54.9 Cg_endo -73.13 103.82 1.67 Allowed 'Trans proline' 1 C--N 1.483 7.624 1 C-N-CA 127.066 5.177 . . . . 0.0 121.415 -177.83 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . 0.26 28.2 p -104.39 93.68 4.93 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 124.191 1.948 . . . . 0.0 108.877 166.241 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -65.59 -47.5 75.51 Favored 'General case' 1 C--N 1.496 6.962 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.652 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -79.41 0.13 Allowed 'General case' 1 C--N 1.477 6.137 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 168.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.478 6.167 0 CA-C-O 122.294 1.045 . . . . 0.0 111.009 169.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.237 0.442 0 CA-C-O 122.008 0.908 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -15.87 6.76 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.913 177.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -50.23 41.88 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.793 0.806 . . . . 0.0 110.929 174.598 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -47.94 75.16 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 123.039 1.399 . . . . 0.0 110.521 177.291 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -42.08 -71.27 0.08 Allowed 'General case' 1 C--N 1.48 6.245 0 CA-C-O 124.491 2.091 . . . . 0.0 113.697 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -78.52 -27.3 46.0 Favored 'General case' 1 C--N 1.485 6.478 0 O-C-N 120.275 -1.516 . . . . 0.0 111.615 -169.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -57.63 -26.06 61.04 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 122.544 1.164 . . . . 0.0 109.041 170.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -67.77 -41.88 82.58 Favored 'General case' 1 C--N 1.485 6.481 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.143 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.255 2.5 t -59.49 -57.53 11.13 Favored 'Isoleucine or valine' 1 C--N 1.494 6.863 0 CA-C-O 121.964 0.888 . . . . 0.0 112.493 171.694 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 1 C--N 1.476 6.096 0 O-C-N 119.291 -2.131 . . . . 0.0 109.867 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.212 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.49 168.46 2.95 Favored 'Isoleucine or valine' 1 C--N 1.481 6.309 0 O-C-N 120.407 -1.433 . . . . 0.0 110.831 -177.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.533 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -140.17 134.69 31.55 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.777 -0.577 . . . . 0.0 110.282 175.913 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -124.18 90.76 3.32 Favored 'General case' 1 C--N 1.478 6.195 0 O-C-N 121.309 -0.869 . . . . 0.0 111.287 -171.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.73 99.87 1.54 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.179 0 CA-C-O 121.548 0.69 . . . . 0.0 110.155 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 10.2 ttm180 -85.87 37.42 0.71 Allowed 'General case' 1 C--N 1.481 6.321 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.3 m -114.32 -38.08 4.19 Favored 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.216 -0.927 . . . . 0.0 110.496 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -97.53 4.14 50.46 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 171.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.65 47.69 87.23 Favored Glycine 1 C--N 1.481 8.589 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 172.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -134.03 136.22 53.86 Favored 'Isoleucine or valine' 1 C--N 1.481 6.325 0 CA-C-O 122.371 1.082 . . . . 0.0 112.141 177.426 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 2.2 p90 -119.59 125.1 47.97 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.367 172.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.07 161.06 42.18 Favored 'General case' 1 C--N 1.476 6.108 0 O-C-N 120.515 -1.366 . . . . 0.0 111.209 -170.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 119.54 77.46 Favored Pre-proline 1 C--N 1.477 6.146 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 170.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -21.26 91.93 0.0 OUTLIER 'Trans proline' 2 C--N 1.475 7.207 1 C-N-CA 127.248 5.299 . . . . 0.0 116.166 -178.216 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -174.53 -21.03 0.01 OUTLIER 'General case' 1 C--N 1.489 6.639 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -36.1 102.42 0.02 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-N 121.057 1.753 . . . . 0.0 112.703 -171.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -78.36 -0.94 31.0 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.586 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.59 -173.59 0.01 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.941 1.353 . . . . 0.0 110.32 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.9 -27.92 0.02 OUTLIER 'General case' 1 C--N 1.489 6.657 0 CA-C-N 114.084 -1.416 . . . . 0.0 110.457 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 59.19 92.36 0.04 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.45 1.119 . . . . 0.0 110.786 171.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 178.47 0.24 Allowed 'General case' 1 C--N 1.483 6.382 0 CA-C-O 121.936 0.874 . . . . 0.0 110.929 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -82.2 166.28 19.74 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.714 0.769 . . . . 0.0 110.761 -173.527 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.14 11.04 8.73 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.302 0.572 . . . . 0.0 111.499 174.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.19 -13.86 42.76 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.5 -0.75 . . . . 0.0 112.926 -171.028 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.273 7.9 p-10 -131.48 15.75 4.95 Favored 'General case' 1 C--N 1.468 5.743 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -174.636 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -96.9 132.33 41.6 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 -162.54 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' ALA . 43.9 t -113.62 127.86 56.22 Favored 'General case' 1 C--N 1.478 6.19 0 O-C-N 120.559 -1.338 . . . . 0.0 110.818 -173.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -101.49 138.9 37.89 Favored 'General case' 1 C--N 1.481 6.283 0 CA-C-O 122.954 1.359 . . . . 0.0 112.433 -171.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.571 ' CE2' ' CB ' ' A' ' 61' ' ' ALA . 3.0 m-85 -125.85 165.17 19.18 Favored 'General case' 1 C--N 1.479 6.211 0 C-N-CA 124.705 1.202 . . . . 0.0 110.47 174.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.26 43.65 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 119.127 -2.233 . . . . 0.0 112.566 170.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.19 157.75 43.68 Favored 'General case' 1 C--N 1.48 6.278 0 O-C-N 120.798 -1.189 . . . . 0.0 111.834 173.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.38 0.02 7.35 Favored 'General case' 1 C--N 1.482 6.34 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.833 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -59.32 -51.15 71.18 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 122.051 0.929 . . . . 0.0 110.796 172.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' ALA . 3.6 pt-20 -72.06 -36.04 69.47 Favored 'General case' 1 C--N 1.482 6.352 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 176.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -59.74 -41.24 90.51 Favored 'General case' 1 C--N 1.479 6.214 0 O-C-N 120.611 -1.306 . . . . 0.0 113.69 172.277 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -73.67 -51.77 15.56 Favored 'General case' 1 C--N 1.477 6.148 0 O-C-N 121.156 -0.965 . . . . 0.0 110.2 177.839 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.16 -22.13 6.01 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.678 0.752 . . . . 0.0 110.983 171.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -67.27 -39.41 86.06 Favored 'General case' 1 C--N 1.481 6.29 0 CA-C-O 122.814 1.292 . . . . 0.0 109.162 172.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.43 29.32 4.52 Favored Glycine 1 C--N 1.485 8.834 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 173.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -101.98 -173.98 2.47 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-N 114.618 -0.791 . . . . 0.0 111.871 -171.775 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 98.83 3.54 Favored Pre-proline 1 C--N 1.479 6.239 0 O-C-N 120.343 -1.473 . . . . 0.0 112.195 -171.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.519 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 71.3 Cg_exo -56.76 109.41 0.44 Allowed 'Trans proline' 1 C--N 1.482 7.603 1 C-N-CA 127.675 5.583 . . . . 0.0 118.859 -178.625 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.78 115.52 24.63 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.463 1.601 . . . . 0.0 110.601 168.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -119.78 25.24 10.11 Favored 'General case' 1 C--N 1.489 6.633 0 CA-C-O 122.51 1.148 . . . . 0.0 110.112 170.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -174.52 46.02 0.01 OUTLIER 'General case' 1 C--N 1.481 6.322 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.842 -172.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.265 95.5 m . . . . . 1 C--N 1.482 6.356 1 CA-C-O 131.109 5.242 . . . . 0.0 107.359 -170.255 . . . . . . . . 3 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.786 0.803 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -25.11 66.8 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.859 0.838 . . . . 0.0 110.879 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.22 -46.01 18.71 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.973 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -43.74 58.76 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 122.476 1.131 . . . . 0.0 110.795 -177.124 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -40.54 -70.75 0.1 Allowed 'General case' 1 C--N 1.481 6.289 0 CA-C-O 124.974 2.321 . . . . 0.0 111.801 172.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CZ3' ' CG1' ' A' ' 16' ' ' VAL . 26.3 t-105 -72.23 -28.23 63.03 Favored 'General case' 1 C--N 1.489 6.672 0 O-C-N 120.471 -1.393 . . . . 0.0 111.34 -170.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.32 -35.56 62.81 Favored 'General case' 1 C--N 1.483 6.406 0 CA-C-O 122.209 1.004 . . . . 0.0 109.299 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -57.96 -41.25 82.5 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.442 171.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 3.5 t -59.54 -49.74 82.54 Favored 'Isoleucine or valine' 1 C--N 1.492 6.799 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 172.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 1 C--N 1.474 6.001 0 CA-C-O 123.827 1.775 . . . . 0.0 109.704 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.68 161.58 5.21 Favored 'Isoleucine or valine' 1 C--N 1.482 6.342 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -176.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -140.4 133.56 29.56 Favored 'General case' 1 C--N 1.483 6.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.354 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.6 102.86 7.82 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 121.368 -0.832 . . . . 0.0 110.937 -172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 5.5 p -88.81 100.32 10.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.192 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 174.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 41.7 ttp180 -88.23 59.18 5.12 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.464 0.65 . . . . 0.0 112.352 -173.581 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.33 -45.11 2.35 Favored 'General case' 1 C--N 1.479 6.21 0 O-C-N 120.405 -1.434 . . . . 0.0 110.638 171.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -100.33 -19.07 16.49 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 171.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.9 61.44 1.15 Allowed Glycine 1 C--N 1.48 8.537 0 O-C-N 121.952 -0.468 . . . . 0.0 112.784 172.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.03 133.21 53.5 Favored 'Isoleucine or valine' 1 C--N 1.478 6.189 0 O-C-N 121.16 -1.2 . . . . 0.0 110.714 171.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 1.2 p90 -113.41 115.1 27.55 Favored 'General case' 1 C--N 1.477 6.15 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.1 t -135.01 160.77 37.28 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 120.212 -1.555 . . . . 0.0 111.918 -170.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -75.09 107.84 4.57 Favored Pre-proline 1 C--N 1.475 6.051 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 167.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -17.86 93.04 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.084 1 C-N-CA 126.959 5.106 . . . . 0.0 117.322 -176.738 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 p -168.29 -56.82 0.02 OUTLIER 'General case' 1 C--N 1.49 6.688 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m 0.49 82.8 0.0 OUTLIER 'General case' 1 C--N 1.483 6.411 0 CA-C-O 123.931 1.824 . . . . 0.0 113.871 -168.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 0.36 -81.46 0.0 OUTLIER 'General case' 1 C--N 1.485 6.472 0 C-N-CA 126.53 1.932 . . . . 0.0 115.063 171.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.2 179.62 0.1 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 122.673 1.225 . . . . 0.0 110.892 -170.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.81 91.96 0.01 OUTLIER 'General case' 1 C--N 1.487 6.584 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.518 176.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -161.76 0.04 OUTLIER 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.942 0.877 . . . . 0.0 111.557 -171.39 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -83.71 166.97 17.62 Favored 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.852 0.834 . . . . 0.0 110.847 -172.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.52 157.51 23.52 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 172.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -1.85 27.44 Favored 'General case' 1 C--N 1.482 6.365 0 O-C-N 121.663 -0.648 . . . . 0.0 111.409 175.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -24.92 56.74 Favored 'General case' 1 C--N 1.478 6.188 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -169.147 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.257 5.7 p-10 -131.42 17.75 4.87 Favored 'General case' 1 C--N 1.467 5.71 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -171.915 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.93 150.0 4.93 Favored 'Isoleucine or valine' 1 C--N 1.478 6.184 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.195 -163.226 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.3 t -129.99 127.88 40.91 Favored 'General case' 1 C--N 1.476 6.092 0 CA-C-N 120.953 1.706 . . . . 0.0 111.98 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -103.19 132.71 49.24 Favored 'General case' 1 C--N 1.483 6.386 0 CA-C-O 122.637 1.208 . . . . 0.0 111.907 -172.076 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.34 164.55 18.6 Favored 'General case' 1 C--N 1.478 6.165 0 C-N-CA 124.373 1.069 . . . . 0.0 110.624 172.682 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.55 -28.76 46.08 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 119.521 -1.987 . . . . 0.0 112.545 170.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -145.7 147.2 31.69 Favored 'General case' 1 C--N 1.479 6.205 0 O-C-N 121.062 -1.024 . . . . 0.0 111.669 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.07 -36.01 17.31 Favored 'General case' 1 C--N 1.48 6.267 0 O-C-N 121.744 -0.598 . . . . 0.0 111.85 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -42.55 -46.88 5.04 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.066 0.936 . . . . 0.0 111.621 -171.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.2 pt-20 -70.67 -39.98 73.24 Favored 'General case' 1 C--N 1.48 6.268 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -32.64 72.17 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 120.78 -1.2 . . . . 0.0 113.798 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -76.68 -42.42 41.73 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 120.708 -1.245 . . . . 0.0 110.486 171.744 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.83 -26.2 23.14 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.035 0.922 . . . . 0.0 110.413 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -67.75 -38.16 83.09 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-O 122.867 1.317 . . . . 0.0 109.234 171.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.47 34.4 3.36 Favored Glycine 1 C--N 1.484 8.796 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 172.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -104.03 -175.01 2.68 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.847 -0.677 . . . . 0.0 112.187 -171.423 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 105.84 26.16 Favored Pre-proline 1 C--N 1.48 6.257 0 CA-C-O 122.3 1.048 . . . . 0.0 112.727 -171.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 59.8 Cg_exo -50.11 114.54 1.45 Allowed 'Trans proline' 1 C--N 1.483 7.652 1 C-N-CA 126.89 5.06 . . . . 0.0 114.908 179.489 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.79 97.68 5.24 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.411 2.053 . . . . 0.0 109.313 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -76.45 -92.6 0.03 OUTLIER 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.902 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -69.95 0.15 Allowed 'General case' 1 C--N 1.478 6.154 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 171.024 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 1 C--N 1.479 6.226 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 168.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.488 0 CA-C-O 121.863 0.839 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -25.51 23.81 Favored 'General case' 1 C--N 1.48 6.279 0 CA-C-O 121.837 0.827 . . . . 0.0 110.804 172.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -49.35 63.25 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.904 0.859 . . . . 0.0 110.885 -176.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -63.12 -44.13 96.47 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.505 1.145 . . . . 0.0 110.722 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.92 -73.4 0.05 OUTLIER 'General case' 1 C--N 1.479 6.206 0 CA-C-O 124.757 2.218 . . . . 0.0 112.736 174.059 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -75.54 -27.53 58.7 Favored 'General case' 1 C--N 1.488 6.598 0 O-C-N 120.354 -1.466 . . . . 0.0 111.338 -169.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.52 -27.16 69.08 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.207 1.003 . . . . 0.0 108.896 170.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -57.52 -36.97 72.25 Favored 'General case' 1 C--N 1.486 6.505 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.396 170.948 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.8 t -73.9 -60.75 2.1 Favored 'Isoleucine or valine' 1 C--N 1.5 7.133 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 171.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 1 C--N 1.477 6.118 0 O-C-N 119.286 -2.134 . . . . 0.0 108.92 -170.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.2 p90 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 121.249 0.547 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 55' ' ' TYR . 4.2 m -115.12 157.91 15.63 Favored 'Isoleucine or valine' 1 C--N 1.477 6.125 0 O-C-N 120.695 -1.253 . . . . 0.0 109.954 -171.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -137.88 132.52 32.61 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 119.999 -1.688 . . . . 0.0 110.289 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.92 92.66 4.01 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.119 -0.988 . . . . 0.0 111.346 -172.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 7.2 p -76.05 101.77 2.7 Favored 'Isoleucine or valine' 1 C--N 1.479 6.211 0 O-C-N 121.719 -0.613 . . . . 0.0 110.805 173.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 90.9 mtt-85 -87.76 44.56 1.2 Allowed 'General case' 1 C--N 1.478 6.188 0 O-C-N 121.708 -0.62 . . . . 0.0 112.61 -173.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.424 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 1.4 m -108.66 -47.85 3.41 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.783 -1.198 . . . . 0.0 110.518 -179.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.6 m -106.66 -17.65 14.17 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.634 0.731 . . . . 0.0 110.679 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 65.02 0.83 Allowed Glycine 1 C--N 1.48 8.536 0 O-C-N 121.914 -0.491 . . . . 0.0 113.18 171.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.51 125.94 43.45 Favored 'Isoleucine or valine' 1 C--N 1.48 6.259 0 O-C-N 121.081 -1.247 . . . . 0.0 112.529 171.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -100.16 105.14 16.71 Favored 'General case' 1 C--N 1.477 6.11 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.394 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.582 ' CB ' ' CB ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -124.33 152.27 43.32 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 120.001 -1.687 . . . . 0.0 114.708 -167.837 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.93 107.61 5.16 Favored Pre-proline 1 C--N 1.476 6.084 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 167.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -21.04 88.99 0.0 OUTLIER 'Trans proline' 1 C--N 1.473 7.096 1 C-N-CA 127.748 5.632 . . . . 0.0 118.133 -177.448 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.95 17.53 0.0 OUTLIER 'General case' 1 C--N 1.484 6.442 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 171.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.62 103.25 0.06 Allowed 'General case' 1 C--N 1.482 6.348 0 CA-C-N 122.05 2.205 . . . . 0.0 109.675 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.39 -17.29 61.82 Favored 'General case' 1 C--N 1.478 6.155 0 C-N-CA 123.237 0.615 . . . . 0.0 112.634 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.77 -175.57 5.64 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 122.395 1.093 . . . . 0.0 110.087 171.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -53.33 89.41 0.01 OUTLIER 'General case' 1 C--N 1.486 6.523 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.363 172.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.86 -163.91 0.79 Allowed 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.027 0.918 . . . . 0.0 111.989 -171.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -102.03 161.03 13.99 Favored 'General case' 1 C--N 1.481 6.296 0 CA-C-O 121.936 0.874 . . . . 0.0 111.289 -172.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.78 159.19 19.81 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.592 0.71 . . . . 0.0 110.827 179.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.18 -5.34 41.26 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.601 0.715 . . . . 0.0 111.686 176.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.65 -24.26 61.01 Favored 'General case' 1 C--N 1.479 6.211 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -168.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.424 ' ND2' ' N ' ' A' ' 33' ' ' THR 0.266 6.9 p-10 -130.36 17.26 5.44 Favored 'General case' 1 C--N 1.467 5.675 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -175.49 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.63 139.04 20.81 Favored 'Isoleucine or valine' 1 C--N 1.479 6.22 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.61 -162.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -100.82 172.68 6.91 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.874 -1.141 . . . . 0.0 110.789 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 55' ' ' TYR . 87.3 m-85 -140.6 138.15 34.19 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-O 122.853 1.311 . . . . 0.0 112.247 177.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.611 ' CD2' ' CG2' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -136.01 163.08 31.11 Favored 'General case' 1 C--N 1.478 6.176 0 C-N-CA 124.426 1.091 . . . . 0.0 110.003 174.299 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.61 56.35 Favored 'General case' 1 C--N 1.48 6.262 0 O-C-N 119.323 -2.111 . . . . 0.0 112.657 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -142.24 150.3 40.75 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.002 0.906 . . . . 0.0 111.62 -176.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -19.18 65.72 Favored 'General case' 1 C--N 1.482 6.349 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -31.98 71.95 Favored 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.254 -0.904 . . . . 0.0 110.649 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -58.18 5.22 Favored 'General case' 1 C--N 1.481 6.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.213 173.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -51.17 -25.62 5.62 Favored 'General case' 1 C--N 1.481 6.286 0 O-C-N 121.646 -0.659 . . . . 0.0 112.59 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -77.42 -43.91 30.93 Favored 'General case' 1 C--N 1.478 6.172 0 O-C-N 121.21 -0.931 . . . . 0.0 110.837 173.045 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.94 -34.86 13.71 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.571 0.7 . . . . 0.0 111.47 171.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.81 81.19 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.417 1.103 . . . . 0.0 109.82 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 97.86 36.73 4.66 Favored Glycine 1 C--N 1.484 8.772 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 175.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.12 -172.13 2.12 Favored 'General case' 1 C--N 1.48 6.243 0 O-C-N 122.329 -0.512 . . . . 0.0 111.901 -171.877 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -96.2 105.03 19.4 Favored Pre-proline 1 C--N 1.478 6.181 0 O-C-N 120.67 -1.269 . . . . 0.0 111.958 -171.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.427 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 43.9 Cg_endo -60.2 98.27 0.12 Allowed 'Trans proline' 1 C--N 1.481 7.534 1 C-N-CA 127.109 5.206 . . . . 0.0 116.713 -178.85 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.582 ' CB ' ' CB ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -80.11 101.9 9.03 Favored 'General case' 1 C--N 1.481 6.287 0 O-C-N 120.761 -1.212 . . . . 0.0 110.049 171.085 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.22 -89.45 0.03 OUTLIER 'General case' 1 C--N 1.486 6.502 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.634 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -73.23 0.11 Allowed 'General case' 1 C--N 1.477 6.15 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--N 1.48 6.247 0 CA-C-O 122.799 1.285 . . . . 0.0 110.667 169.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.813 0.815 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -22.31 0.55 Allowed 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.872 0.844 . . . . 0.0 110.722 171.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.21 -54.32 18.59 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.952 0.882 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.88 -36.88 84.65 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 122.739 1.257 . . . . 0.0 110.591 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' SER . 5.7 mmt-85 -45.77 -70.95 0.08 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 125.264 2.459 . . . . 0.0 112.431 171.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -71.36 -22.37 61.91 Favored 'General case' 1 C--N 1.494 6.879 0 O-C-N 120.361 -1.462 . . . . 0.0 109.746 -171.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -39.88 83.3 Favored 'General case' 1 C--N 1.483 6.387 0 CA-C-O 121.825 0.822 . . . . 0.0 108.893 170.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.2 m -42.89 -55.48 3.69 Favored 'General case' 1 C--N 1.487 6.555 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.43 -53.61 46.43 Favored 'Isoleucine or valine' 1 C--N 1.495 6.914 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 1 C--N 1.477 6.119 0 CA-C-O 123.885 1.802 . . . . 0.0 109.603 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.656 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 4.9 m -146.41 152.28 13.74 Favored 'Isoleucine or valine' 1 C--N 1.488 6.624 0 O-C-N 121.025 -1.047 . . . . 0.0 109.725 -171.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CB ' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.24 145.07 51.07 Favored 'General case' 1 C--N 1.476 6.08 0 O-C-N 120.67 -1.269 . . . . 0.0 109.716 -171.938 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.23 100.82 6.24 Favored 'General case' 1 C--N 1.477 6.133 0 CA-C-O 121.846 0.832 . . . . 0.0 110.801 -171.51 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -86.62 103.15 12.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.882 0.848 . . . . 0.0 110.341 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.52 23.74 0.5 Allowed 'General case' 1 C--N 1.483 6.393 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.572 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -107.42 -35.19 6.84 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 120.778 -1.201 . . . . 0.0 110.766 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -97.48 -2.89 41.0 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.117 0.484 . . . . 0.0 111.218 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.68 43.65 96.05 Favored Glycine 1 C--N 1.48 8.534 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.3 pt -136.13 141.47 41.49 Favored 'Isoleucine or valine' 1 C--N 1.48 6.272 0 O-C-N 121.602 -0.94 . . . . 0.0 111.733 172.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 7.7 p90 -114.93 124.37 51.51 Favored 'General case' 1 C--N 1.478 6.168 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.424 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 41.8 t -138.03 162.92 32.86 Favored 'General case' 1 C--N 1.476 6.068 0 O-C-N 120.531 -1.356 . . . . 0.0 112.824 -170.022 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.48 121.79 78.44 Favored Pre-proline 1 C--N 1.475 6.048 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 165.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -18.79 99.9 0.01 OUTLIER 'Trans proline' 2 C--N 1.47 6.944 1 C-N-CA 127.387 5.391 . . . . 0.0 116.693 -177.579 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 p -178.15 -58.32 0.01 OUTLIER 'General case' 1 C--N 1.487 6.548 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m 0.57 90.09 0.01 OUTLIER 'General case' 1 C--N 1.482 6.328 0 CA-C-O 123.967 1.841 . . . . 0.0 114.54 -167.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -17.56 -44.67 0.0 OUTLIER 'General case' 1 C--N 1.487 6.55 0 C-N-CA 126.552 1.941 . . . . 0.0 114.019 170.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -178.18 0.03 OUTLIER 'General case' 1 C--N 1.477 6.132 0 CA-C-O 123.396 1.57 . . . . 0.0 111.077 -171.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -51.78 -12.42 0.2 Allowed 'General case' 1 C--N 1.488 6.61 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.785 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 86.02 151.37 0.07 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 121.976 0.893 . . . . 0.0 111.276 171.049 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.2 142.58 28.51 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 -172.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 142.77 57.51 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.523 0.677 . . . . 0.0 110.548 172.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 3.83 14.47 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.14 0.495 . . . . 0.0 111.713 175.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.22 -15.91 36.84 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.459 -0.776 . . . . 0.0 112.567 -171.177 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.275 8.2 p-10 -132.27 15.43 4.59 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -176.844 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.5 142.63 14.8 Favored 'Isoleucine or valine' 1 C--N 1.48 6.256 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.443 -163.089 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 7.7 t -127.14 139.94 52.61 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.14 -1.6 . . . . 0.0 111.495 -177.359 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' A' ' 29' ' ' PHE . 2.2 m-85 -109.86 155.64 21.41 Favored 'General case' 1 C--N 1.488 6.602 0 CA-C-O 123.246 1.498 . . . . 0.0 113.468 -170.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -149.23 158.42 44.17 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.941 -179.793 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -19.51 59.14 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 120.128 -1.608 . . . . 0.0 112.16 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 174.77 14.08 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.088 -1.008 . . . . 0.0 111.464 171.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.77 79.75 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.51 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -52.3 -14.94 0.51 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.366 0.603 . . . . 0.0 111.392 -171.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -80.52 -63.05 1.49 Allowed 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.539 0.685 . . . . 0.0 111.484 172.882 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . . . -49.43 -13.84 0.09 Allowed 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.693 -0.63 . . . . 0.0 112.165 172.377 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -84.13 -49.17 9.11 Favored 'General case' 1 C--N 1.478 6.169 0 O-C-N 121.091 -1.006 . . . . 0.0 110.476 171.764 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.38 5.36 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.531 0.681 . . . . 0.0 111.313 171.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.35 75.29 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 122.826 1.298 . . . . 0.0 109.446 172.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.12 25.15 6.23 Favored Glycine 1 C--N 1.484 8.756 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 172.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -89.35 -172.97 3.82 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-N 114.911 -0.645 . . . . 0.0 112.037 -171.802 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.17 111.48 56.61 Favored Pre-proline 1 C--N 1.479 6.198 0 O-C-N 121.044 -1.035 . . . . 0.0 111.752 -172.216 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.28 107.22 0.2 Allowed 'Trans proline' 1 C--N 1.483 7.606 1 C-N-CA 127.123 5.215 . . . . 0.0 115.324 -178.993 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.6 t -115.63 95.35 5.1 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.585 2.136 . . . . 0.0 109.849 171.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -76.88 -91.9 0.03 OUTLIER 'General case' 1 C--N 1.498 7.026 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.392 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.85 -70.16 0.16 Allowed 'General case' 1 C--N 1.479 6.211 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 1 C--N 1.478 6.166 0 CA-C-O 123.86 1.791 . . . . 0.0 110.181 169.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.709 0.766 . . . . 0.0 111.119 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -78.1 -24.56 47.49 Favored 'General case' 1 C--N 1.48 6.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.783 -172.461 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.25 -62.76 1.26 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.245 1.021 . . . . 0.0 110.936 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -40.18 27.95 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.595 1.188 . . . . 0.0 110.446 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.47 -77.67 0.02 OUTLIER 'General case' 1 C--N 1.48 6.253 0 CA-C-O 123.468 1.604 . . . . 0.0 113.07 178.425 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 25.7 t-105 -73.0 -30.68 63.96 Favored 'General case' 1 C--N 1.486 6.531 0 O-C-N 120.774 -1.203 . . . . 0.0 110.973 -170.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.58 -35.51 60.9 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 121.983 0.897 . . . . 0.0 109.938 171.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -42.59 82.28 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 171.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.571 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 2.0 t -54.8 -52.58 41.05 Favored 'Isoleucine or valine' 1 C--N 1.489 6.655 0 CA-C-O 121.436 0.636 . . . . 0.0 112.703 172.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 1 C--N 1.476 6.084 0 CA-C-O 123.527 1.632 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.138 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.24 168.83 2.32 Favored 'Isoleucine or valine' 1 C--N 1.483 6.376 0 O-C-N 120.431 -1.418 . . . . 0.0 111.045 -178.094 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.89 140.66 36.51 Favored 'General case' 1 C--N 1.481 6.304 0 O-C-N 121.746 -0.597 . . . . 0.0 110.235 172.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -129.41 98.61 4.92 Favored 'General case' 1 C--N 1.478 6.179 0 CA-C-O 122.147 0.975 . . . . 0.0 111.471 -171.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.516 ' CG1' ' CB ' ' A' ' 47' ' ' ALA . 13.1 p -88.57 97.34 6.74 Favored 'Isoleucine or valine' 1 C--N 1.481 6.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.801 177.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.39 79.94 8.84 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.702 0.763 . . . . 0.0 111.405 -172.486 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -134.42 -53.2 0.83 Allowed 'General case' 1 C--N 1.478 6.187 0 CA-C-O 122.442 1.115 . . . . 0.0 110.006 173.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -97.88 -15.25 20.28 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.858 0.837 . . . . 0.0 110.436 170.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.64 66.16 1.1 Allowed Glycine 1 C--N 1.48 8.551 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 172.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.62 132.81 51.65 Favored 'Isoleucine or valine' 1 C--N 1.48 6.243 0 O-C-N 121.564 -0.962 . . . . 0.0 111.549 174.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 6.0 p90 -114.3 110.3 19.71 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.559 -0.713 . . . . 0.0 109.263 171.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.37 162.31 25.07 Favored 'General case' 1 C--N 1.477 6.122 0 O-C-N 120.002 -1.686 . . . . 0.0 112.286 -170.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 114.11 27.65 Favored Pre-proline 1 C--N 1.475 6.038 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 167.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -13.76 61.09 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 127.78 5.653 . . . . 0.0 120.075 -175.943 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 119.98 0.05 OUTLIER 'General case' 1 C--N 1.484 6.455 0 O-C-N 121.656 -0.653 . . . . 0.0 112.329 171.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -138.05 128.42 26.22 Favored 'General case' 1 C--N 1.478 6.175 0 O-C-N 120.604 -1.31 . . . . 0.0 109.785 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -72.27 -14.95 61.9 Favored 'General case' 1 C--N 1.478 6.155 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.54 -174.06 0.5 Allowed 'General case' 1 C--N 1.477 6.135 0 CA-C-O 122.498 1.142 . . . . 0.0 109.597 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -45.74 94.64 0.01 OUTLIER 'General case' 1 C--N 1.487 6.576 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.991 171.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -43.67 111.83 0.32 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.935 0.874 . . . . 0.0 111.722 -170.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.516 ' CB ' ' CG1' ' A' ' 31' ' ' VAL . . . -32.48 109.15 0.06 Allowed 'General case' 1 C--N 1.481 6.312 0 CA-C-O 121.87 0.843 . . . . 0.0 112.079 173.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -51.5 137.74 23.57 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.798 0.809 . . . . 0.0 110.943 172.249 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -74.44 -4.35 36.12 Favored 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.217 0.532 . . . . 0.0 111.678 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 4.6 pt-20 -82.56 -9.95 59.19 Favored 'General case' 1 C--N 1.478 6.177 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.429 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.27 7.7 p-10 -133.22 18.74 4.04 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 178.7 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.34 150.45 4.57 Favored 'Isoleucine or valine' 1 C--N 1.479 6.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.421 -163.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ALA . 33.1 t -132.52 137.42 47.15 Favored 'General case' 1 C--N 1.477 6.136 0 O-C-N 120.234 -1.541 . . . . 0.0 111.949 177.303 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -106.21 135.96 46.77 Favored 'General case' 1 C--N 1.483 6.407 0 CA-C-O 123.242 1.496 . . . . 0.0 111.819 -172.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.517 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 1.4 m-85 -123.99 167.86 13.6 Favored 'General case' 1 C--N 1.477 6.137 0 C-N-CA 125.362 1.465 . . . . 0.0 110.141 172.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.51 -26.34 32.62 Favored 'General case' 1 C--N 1.48 6.249 0 O-C-N 118.339 -2.726 . . . . 0.0 112.876 170.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -145.59 157.93 43.91 Favored 'General case' 1 C--N 1.48 6.239 0 O-C-N 120.878 -1.139 . . . . 0.0 112.494 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.01 -16.4 64.34 Favored 'General case' 1 C--N 1.483 6.401 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.547 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -36.31 78.53 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.183 -0.948 . . . . 0.0 110.694 173.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.517 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.66 -57.79 3.85 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.547 0.689 . . . . 0.0 111.725 178.389 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' CB ' ' CD1' ' A' ' 37' ' ' PHE . . . -56.38 -27.26 55.72 Favored 'General case' 1 C--N 1.481 6.299 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -75.37 -48.65 21.98 Favored 'General case' 1 C--N 1.477 6.141 0 O-C-N 120.9 -1.125 . . . . 0.0 110.42 172.091 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.88 -24.21 5.94 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.671 0.748 . . . . 0.0 111.075 171.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -69.35 -40.21 77.65 Favored 'General case' 1 C--N 1.481 6.288 0 CA-C-O 122.67 1.224 . . . . 0.0 109.531 172.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.26 30.62 4.66 Favored Glycine 1 C--N 1.485 8.815 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 173.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.478 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -97.65 -168.84 1.74 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-N 114.906 -0.647 . . . . 0.0 111.49 -171.931 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -95.81 108.0 37.65 Favored Pre-proline 1 C--N 1.479 6.196 0 O-C-N 120.585 -1.322 . . . . 0.0 111.72 -176.63 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.455 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 27.5 Cg_endo -56.85 104.7 0.15 Allowed 'Trans proline' 1 C--N 1.48 7.458 1 C-N-CA 127.45 5.433 . . . . 0.0 114.691 -179.243 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.0 t -113.58 100.35 8.43 Favored 'General case' 1 C--N 1.477 6.15 0 CA-C-O 124.077 1.894 . . . . 0.0 109.698 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -86.54 0.2 Allowed 'General case' 1 C--N 1.495 6.921 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.222 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -59.05 -71.14 0.13 Allowed 'General case' 1 C--N 1.477 6.144 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 170.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--N 1.48 6.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.933 168.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.751 0.786 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.74 -30.1 71.17 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.754 0.788 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.27 -56.51 7.35 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.036 0.922 . . . . 0.0 110.917 -176.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -57.54 -47.95 80.62 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 122.463 1.125 . . . . 0.0 111.052 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.68 -72.91 0.05 Allowed 'General case' 1 C--N 1.48 6.251 0 CA-C-O 123.915 1.817 . . . . 0.0 112.367 175.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.552 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 54.7 t-105 -76.23 -23.46 54.55 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 120.713 -1.242 . . . . 0.0 111.541 -169.235 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.75 -32.71 71.99 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.46 1.124 . . . . 0.0 108.727 170.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 m -61.45 -33.34 73.57 Favored 'General case' 1 C--N 1.483 6.398 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.214 171.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.552 ' CG2' ' CE3' ' A' ' 13' ' ' TRP 0.272 1.3 t -67.06 -65.42 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.492 6.762 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.023 171.274 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 1 C--N 1.476 6.066 0 O-C-N 119.01 -2.307 . . . . 0.0 109.996 -171.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.506 -0.735 0 CA-C-O 123.355 1.55 . . . . 0.0 112.864 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 2.3 m -141.4 157.42 21.76 Favored 'Isoleucine or valine' 1 C--N 1.487 6.58 0 O-C-N 120.993 -1.067 . . . . 0.0 110.452 -169.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -139.91 136.85 34.31 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 120.849 -1.157 . . . . 0.0 110.21 -178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -122.63 111.33 16.63 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.18 -0.95 . . . . 0.0 111.106 -172.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 6.8 p -95.8 110.18 23.91 Favored 'Isoleucine or valine' 1 C--N 1.479 6.212 0 CA-C-O 121.304 0.574 . . . . 0.0 110.487 175.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.8 ptt180 -84.83 26.97 0.78 Allowed 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.478 -0.764 . . . . 0.0 112.824 -171.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 2.1 m -106.89 -38.52 6.04 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 121.113 -0.992 . . . . 0.0 110.285 -178.665 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.4 m -101.4 -9.47 21.09 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.878 171.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.95 51.04 11.13 Favored Glycine 1 C--N 1.479 8.521 0 O-C-N 121.549 -0.719 . . . . 0.0 112.277 171.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.86 141.1 42.87 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.433 -1.04 . . . . 0.0 110.574 171.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -111.09 104.8 13.38 Favored 'General case' 1 C--N 1.478 6.18 0 O-C-N 120.657 -1.277 . . . . 0.0 109.344 171.993 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.1 t -122.67 168.08 12.64 Favored 'General case' 1 C--N 1.478 6.157 0 O-C-N 119.698 -1.876 . . . . 0.0 110.775 -169.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 175.27 3.18 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 122.758 1.266 . . . . 0.0 108.066 166.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -14.47 -31.5 0.0 OUTLIER 'Trans proline' 1 C--N 1.474 7.163 2 C-N-CA 128.916 6.411 . . . . 0.0 122.578 -178.205 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 t -164.61 160.28 19.95 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-N 122.002 2.183 . . . . 0.0 113.963 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 m -127.89 132.17 49.36 Favored 'General case' 1 C--N 1.49 6.683 0 O-C-N 121.074 -1.016 . . . . 0.0 109.252 170.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.27 5.72 5.24 Favored 'General case' 1 C--N 1.475 6.049 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.637 -171.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.18 -176.35 5.65 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.648 1.213 . . . . 0.0 110.146 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -42.09 1.06 Allowed 'General case' 1 C--N 1.486 6.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.859 174.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 55.96 173.73 0.03 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.797 0.808 . . . . 0.0 111.08 -177.407 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -131.98 175.08 9.53 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 122.134 0.969 . . . . 0.0 111.694 -171.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' CD2' ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -86.69 178.58 6.99 Favored 'General case' 1 C--N 1.481 6.293 0 CA-C-O 122.203 1.002 . . . . 0.0 111.747 -172.035 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -88.02 15.38 7.39 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.691 0.758 . . . . 0.0 111.521 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.497 ' CG ' ' CD2' ' A' ' 48' ' ' LEU . 6.5 mm-40 -86.24 -22.47 26.86 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.805 -0.56 . . . . 0.0 112.358 -171.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 33' ' ' THR 0.288 9.5 p-10 -132.77 18.1 4.24 Favored 'General case' 1 C--N 1.469 5.776 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -176.417 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -94.87 165.16 1.99 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.083 -162.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.1 t -126.22 172.11 10.34 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.428 -1.42 . . . . 0.0 111.173 172.027 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CZ ' ' CB ' ' A' ' 13' ' ' TRP . 33.4 m-85 -141.24 149.05 40.84 Favored 'General case' 1 C--N 1.482 6.358 0 CA-C-O 122.707 1.242 . . . . 0.0 112.106 174.112 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.68 160.36 43.65 Favored 'General case' 1 C--N 1.481 6.296 0 C-N-CA 123.743 0.817 . . . . 0.0 109.927 -178.182 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.13 -25.51 39.86 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 119.646 -1.909 . . . . 0.0 112.004 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -143.33 159.5 42.24 Favored 'General case' 1 C--N 1.479 6.219 0 O-C-N 121.291 -0.88 . . . . 0.0 111.143 174.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -30.78 71.51 Favored 'General case' 1 C--N 1.482 6.327 0 O-C-N 121.455 -0.778 . . . . 0.0 112.172 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -32.12 7.83 Favored 'General case' 1 C--N 1.479 6.211 0 O-C-N 121.245 -0.909 . . . . 0.0 111.186 176.258 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.554 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -73.66 -64.74 0.93 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.724 0.773 . . . . 0.0 111.445 -179.471 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.662 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . . . -52.31 -12.92 0.29 Allowed 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.542 -0.724 . . . . 0.0 112.241 172.038 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -83.49 -42.56 16.74 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.787 -1.196 . . . . 0.0 110.438 171.533 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.42 -26.16 7.52 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 122.164 0.983 . . . . 0.0 110.233 171.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.58 70.95 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.699 1.238 . . . . 0.0 109.724 171.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 102.6 40.21 2.59 Favored Glycine 1 C--N 1.483 8.703 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 172.585 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.556 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -97.86 -173.12 2.53 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -171.248 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' CD ' ' A' ' 67' ' ' ARG . 0.5 OUTLIER -97.44 108.41 44.75 Favored Pre-proline 1 C--N 1.478 6.189 0 CA-C-O 122.449 1.118 . . . . 0.0 113.444 -170.982 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -42.1 110.13 0.14 Allowed 'Trans proline' 1 C--N 1.485 7.737 1 C-N-CA 127.468 5.445 . . . . 0.0 117.1 179.499 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.0 t -131.06 91.36 3.03 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 125.193 2.425 . . . . 0.0 109.518 171.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -85.78 -79.05 0.25 Allowed 'General case' 1 C--N 1.499 7.081 0 CA-C-N 114.125 -1.398 . . . . 0.0 109.905 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -71.81 0.17 Allowed 'General case' 1 C--N 1.477 6.119 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 169.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--N 1.479 6.228 0 CA-C-O 122.158 0.98 . . . . 0.0 110.736 168.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.802 0.81 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.82 -38.72 92.13 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.544 0.688 . . . . 0.0 111.476 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -38.25 52.98 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.448 0.642 . . . . 0.0 111.469 -172.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.1 -51.2 68.89 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 123.15 1.452 . . . . 0.0 110.753 172.212 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -40.91 -59.29 1.47 Allowed 'General case' 1 C--N 1.482 6.344 0 CA-C-O 125.233 2.444 . . . . 0.0 111.942 171.751 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 61.5 t-105 -78.19 -27.27 47.88 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-N 114.074 -1.421 . . . . 0.0 113.292 -167.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.65 -23.85 60.01 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 122.507 1.146 . . . . 0.0 109.066 170.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.9 m -70.07 -42.98 72.1 Favored 'General case' 1 C--N 1.483 6.399 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.826 171.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.577 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 1.6 t -56.23 -55.06 20.77 Favored 'Isoleucine or valine' 1 C--N 1.489 6.646 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 172.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 1 C--N 1.475 6.063 0 O-C-N 119.773 -1.829 . . . . 0.0 109.408 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 . . . . . 0 CA--C 1.507 -0.696 0 CA-C-O 123.372 1.558 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.6 m -141.5 155.32 20.49 Favored 'Isoleucine or valine' 1 C--N 1.481 6.298 0 C-N-CA 124.989 1.316 . . . . 0.0 109.415 -169.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -135.88 135.92 40.11 Favored 'General case' 1 C--N 1.477 6.133 0 O-C-N 119.726 -1.859 . . . . 0.0 109.071 -171.742 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.19 102.43 6.93 Favored 'General case' 1 C--N 1.478 6.174 0 O-C-N 121.011 -1.055 . . . . 0.0 111.474 -171.042 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.53 104.25 15.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.208 0 CA-C-O 121.689 0.757 . . . . 0.0 110.406 175.164 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -86.0 31.79 0.62 Allowed 'General case' 1 C--N 1.481 6.302 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -171.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -102.27 -41.77 6.25 Favored 'General case' 1 C--N 1.478 6.168 0 O-C-N 121.135 -0.978 . . . . 0.0 111.191 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -100.44 -23.18 14.8 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 122.146 0.974 . . . . 0.0 110.691 172.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.34 56.92 1.41 Allowed Glycine 1 C--N 1.482 8.656 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 171.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -135.24 134.73 52.63 Favored 'Isoleucine or valine' 1 C--N 1.481 6.29 0 O-C-N 120.633 -1.51 . . . . 0.0 112.089 170.672 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 1.3 p90 -102.39 94.07 5.5 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.4 t -115.95 165.02 13.58 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 120.123 -1.611 . . . . 0.0 111.399 -170.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.72 153.63 94.77 Favored Pre-proline 1 C--N 1.475 6.036 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 165.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -14.63 145.23 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.916 1 C-N-CA 127.277 5.318 . . . . 0.0 118.875 -176.908 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m 2.72 114.84 0.0 OUTLIER 'General case' 1 C--N 1.487 6.578 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.54 156.18 38.52 Favored 'General case' 1 C--N 1.491 6.76 0 CA-C-O 122.665 1.221 . . . . 0.0 109.254 169.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -10.32 18.82 Favored 'General case' 1 C--N 1.477 6.115 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.318 -171.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.02 -174.57 4.93 Favored 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.594 1.187 . . . . 0.0 109.612 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.73 95.99 0.01 OUTLIER 'General case' 1 C--N 1.488 6.599 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.116 172.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 151.83 20.02 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.097 0.951 . . . . 0.0 112.046 -171.172 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 165.61 11.38 Favored 'General case' 1 C--N 1.481 6.326 0 CA-C-O 121.833 0.825 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 171.94 11.4 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.977 0.894 . . . . 0.0 110.853 -173.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -13.26 62.35 Favored 'General case' 1 C--N 1.482 6.35 0 CA-C-O 121.458 0.646 . . . . 0.0 111.964 172.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 10.93 17.15 Favored 'General case' 1 C--N 1.482 6.341 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -170.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.92 17.38 3.03 Favored 'General case' 1 C--N 1.469 5.777 0 CA-C-O 124.373 2.035 . . . . 0.0 107.473 171.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.603 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.01 150.82 6.97 Favored 'Isoleucine or valine' 1 C--N 1.496 6.966 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.819 -164.84 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' ALA . 32.0 t -134.1 138.31 45.18 Favored 'General case' 1 C--N 1.476 6.104 0 O-C-N 119.884 -1.76 . . . . 0.0 110.575 171.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' A' ' 29' ' ' PHE . 20.6 m-85 -120.37 140.45 51.29 Favored 'General case' 1 C--N 1.484 6.453 0 O-C-N 120.375 -1.453 . . . . 0.0 114.601 -170.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.629 ' CE2' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -138.07 156.58 47.64 Favored 'General case' 1 C--N 1.488 6.6 0 O-C-N 121.014 -1.054 . . . . 0.0 110.559 -171.827 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.55 78.63 Favored 'General case' 1 C--N 1.484 6.421 0 O-C-N 119.932 -1.73 . . . . 0.0 113.941 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -152.3 158.66 43.09 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.972 -1.08 . . . . 0.0 112.223 -174.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.5 68.43 Favored 'General case' 1 C--N 1.483 6.385 0 CA-C-O 121.387 0.613 . . . . 0.0 111.617 -173.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -59.66 -34.34 72.71 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.761 0.791 . . . . 0.0 110.85 -174.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -55.38 17.34 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.582 0.706 . . . . 0.0 111.286 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.629 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -55.77 -28.55 56.58 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.706 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -72.54 -40.69 66.53 Favored 'General case' 1 C--N 1.477 6.114 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 171.692 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -29.07 61.4 Favored 'General case' 1 C--N 1.478 6.172 0 CA-C-O 121.753 0.787 . . . . 0.0 110.98 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.73 -33.14 73.43 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.305 1.05 . . . . 0.0 110.05 173.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.57 32.73 6.16 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 176.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.484 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -103.43 -173.24 2.27 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 122.319 -0.518 . . . . 0.0 111.958 -171.942 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.47 119.28 64.37 Favored Pre-proline 1 C--N 1.479 6.237 0 O-C-N 120.91 -1.119 . . . . 0.0 112.1 -173.018 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -61.66 97.76 0.15 Allowed 'Trans proline' 1 C--N 1.481 7.526 1 C-N-CA 126.857 5.038 . . . . 0.0 115.16 -179.009 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.69 101.13 10.05 Favored 'General case' 1 C--N 1.478 6.161 0 CA-C-O 124.83 2.252 . . . . 0.0 109.815 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -77.65 0.42 Allowed 'General case' 1 C--N 1.497 7.017 0 O-C-N 120.534 -1.354 . . . . 0.0 110.409 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -71.9 0.13 Allowed 'General case' 1 C--N 1.477 6.112 0 CA-C-O 122.764 1.269 . . . . 0.0 107.805 170.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--N 1.479 6.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.532 168.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.758 0.789 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -107.74 -64.88 1.16 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.892 0.853 . . . . 0.0 110.976 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 136.76 51.47 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.852 0.834 . . . . 0.0 110.934 178.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.24 -90.9 0.0 OUTLIER 'General case' 1 C--N 1.48 6.268 0 CA-C-O 121.735 0.779 . . . . 0.0 110.977 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -110.74 -171.3 1.8 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.735 0.779 . . . . 0.0 110.931 172.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' CB ' ' NH2' ' A' ' 12' ' ' ARG . 42.5 m -41.12 154.25 0.04 OUTLIER 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.678 0.752 . . . . 0.0 110.951 174.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.76 -79.4 0.1 Allowed 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.623 0.725 . . . . 0.0 111.352 -172.174 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -150.68 154.53 37.61 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.97 0.891 . . . . 0.0 111.608 -172.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -20.96 2.23 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 121.714 0.769 . . . . 0.0 110.803 172.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -40.92 62.99 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.346 0.593 . . . . 0.0 111.094 -176.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -48.2 81.98 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 122.536 1.16 . . . . 0.0 110.613 174.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' NH2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -41.34 -73.45 0.05 OUTLIER 'General case' 1 C--N 1.479 6.239 0 CA-C-O 124.701 2.191 . . . . 0.0 112.655 171.968 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.562 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 26.0 t-105 -68.8 -25.57 64.76 Favored 'General case' 1 C--N 1.489 6.669 0 O-C-N 120.53 -1.356 . . . . 0.0 111.089 -169.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -41.04 78.35 Favored 'General case' 1 C--N 1.482 6.364 0 CA-C-O 122.076 0.941 . . . . 0.0 109.414 171.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 t -49.5 -38.29 29.76 Favored 'General case' 1 C--N 1.483 6.375 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.18 171.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 1.4 t -65.22 -57.36 11.35 Favored 'Isoleucine or valine' 1 C--N 1.492 6.791 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.72 -46.06 10.19 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 119.914 -1.741 . . . . 0.0 109.768 -171.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.68 -96.14 0.0 OUTLIER 'General case' 1 C--N 1.488 6.616 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.088 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 179.53 -85.57 0.0 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 122.915 1.34 . . . . 0.0 110.965 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.68 148.48 95.02 Favored Pre-proline 1 C--N 1.484 6.456 0 CA-C-O 121.911 0.862 . . . . 0.0 111.049 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -48.75 104.18 0.07 OUTLIER 'Trans proline' 1 C--N 1.477 7.341 1 C-N-CA 126.662 4.908 . . . . 0.0 113.899 179.036 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.07 -55.9 3.56 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 122.62 1.2 . . . . 0.0 110.475 -171.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.17 -85.16 0.24 Allowed 'General case' 1 C--N 1.482 6.33 0 CA-C-O 122.209 1.004 . . . . 0.0 110.918 172.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 84.2 m-20 -86.31 97.94 10.69 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.93 0.872 . . . . 0.0 110.93 -171.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -17.91 4.96 Favored Glycine 1 C--N 1.479 8.505 0 O-C-N 121.331 -0.856 . . . . 0.0 112.784 -171.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.91 3.53 8.75 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 120.913 -1.345 . . . . 0.0 113.611 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 24' ' ' ASP . 16.2 p90 -70.64 151.5 44.9 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 120.859 -1.15 . . . . 0.0 110.467 -172.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.664 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 34.5 m -122.52 152.44 26.85 Favored 'Isoleucine or valine' 1 C--N 1.477 6.119 0 O-C-N 120.87 -1.144 . . . . 0.0 109.767 -170.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -135.05 132.79 38.66 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.55 -1.344 . . . . 0.0 110.489 -171.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.28 99.51 6.74 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.705 0.764 . . . . 0.0 110.729 -172.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -90.98 110.27 22.1 Favored 'Isoleucine or valine' 1 C--N 1.478 6.18 0 CA-C-O 121.583 0.706 . . . . 0.0 110.5 173.025 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -82.12 19.2 1.2 Allowed 'General case' 1 C--N 1.48 6.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.27 -33.59 10.35 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.105 -0.997 . . . . 0.0 110.786 176.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -97.15 -3.48 40.98 Favored 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.94 -0.475 . . . . 0.0 111.193 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.12 42.34 97.04 Favored Glycine 1 C--N 1.479 8.508 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.28 130.55 67.76 Favored 'Isoleucine or valine' 1 C--N 1.483 6.388 0 CA-C-O 122.398 1.094 . . . . 0.0 112.505 174.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CE2' ' CG ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -107.87 109.34 20.84 Favored 'General case' 1 C--N 1.479 6.196 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 169.921 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.51 163.51 32.35 Favored 'General case' 1 C--N 1.477 6.112 0 O-C-N 120.246 -1.534 . . . . 0.0 110.863 -169.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -74.9 140.99 74.6 Favored Pre-proline 1 C--N 1.479 6.231 0 CA-C-O 122.252 1.025 . . . . 0.0 109.386 175.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -11.5 -37.33 0.0 OUTLIER 'Trans proline' 1 C--N 1.475 7.22 2 C-N-CA 129.499 6.799 . . . . 0.0 124.518 -177.39 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -98.89 43.39 1.06 Allowed 'General case' 1 C--N 1.477 6.136 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.01 103.18 3.16 Favored 'General case' 1 C--N 1.492 6.795 0 O-C-N 120.612 -1.305 . . . . 0.0 109.234 171.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -52.48 7.35 Favored 'General case' 1 C--N 1.481 6.294 0 C-N-CA 123.588 0.755 . . . . 0.0 112.445 -171.136 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.06 143.69 0.16 Allowed 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.192 0.996 . . . . 0.0 110.222 173.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.59 95.98 0.01 OUTLIER 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.804 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -96.68 135.96 37.87 Favored 'General case' 1 C--N 1.482 6.337 0 CA-C-O 121.746 0.784 . . . . 0.0 110.875 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -48.82 172.48 0.02 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.917 0.865 . . . . 0.0 110.831 174.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.32 -172.59 4.23 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 122.753 1.263 . . . . 0.0 111.78 -171.758 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -88.43 18.53 4.44 Favored 'General case' 1 C--N 1.481 6.307 0 CA-C-O 122.122 0.963 . . . . 0.0 110.778 171.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.499 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.18 -23.2 24.88 Favored 'General case' 1 C--N 1.481 6.319 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.083 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 24.85 2.92 Favored 'General case' 1 C--N 1.471 5.876 0 CA-C-O 125.306 2.479 . . . . 0.0 107.19 -175.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' CG1' ' CE1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -99.14 142.14 15.44 Favored 'Isoleucine or valine' 1 C--N 1.498 7.054 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.679 -165.309 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.9 t -127.82 124.54 37.84 Favored 'General case' 1 C--N 1.477 6.109 0 O-C-N 120.472 -1.392 . . . . 0.0 111.648 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CE1' ' CG1' ' A' ' 52' ' ' VAL . 11.3 m-85 -102.13 149.84 23.86 Favored 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.392 1.091 . . . . 0.0 112.315 -171.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.664 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -144.08 162.82 35.29 Favored 'General case' 1 C--N 1.478 6.189 0 C-N-CA 123.271 0.629 . . . . 0.0 110.494 177.85 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.62 -41.35 65.62 Favored 'General case' 1 C--N 1.482 6.329 0 O-C-N 119.343 -2.098 . . . . 0.0 112.155 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -131.82 152.07 51.24 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.362 -0.837 . . . . 0.0 111.107 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.73 62.45 Favored 'General case' 1 C--N 1.48 6.254 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -60.65 -28.32 68.49 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.245 -0.909 . . . . 0.0 110.668 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.568 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.49 -64.53 0.88 Allowed 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.549 0.69 . . . . 0.0 111.654 173.689 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 37' ' ' PHE . . . -51.28 -24.39 4.46 Favored 'General case' 1 C--N 1.481 6.319 0 O-C-N 121.421 -0.799 . . . . 0.0 112.516 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' CG ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.62 -48.37 19.34 Favored 'General case' 1 C--N 1.477 6.149 0 O-C-N 121.216 -0.928 . . . . 0.0 110.378 171.994 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.46 -22.76 2.05 Favored 'General case' 1 C--N 1.478 6.178 0 CA-C-O 121.856 0.836 . . . . 0.0 110.763 171.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.67 -42.85 67.0 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 122.586 1.184 . . . . 0.0 109.834 172.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.02 36.71 2.48 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 175.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.55 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -106.26 -172.64 2.12 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-N 115.093 -0.554 . . . . 0.0 112.006 -171.584 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 102.46 10.9 Favored Pre-proline 1 C--N 1.479 6.235 0 O-C-N 120.875 -1.14 . . . . 0.0 112.441 -171.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.579 ' CG ' ' CE2' ' A' ' 37' ' ' PHE . 32.3 Cg_exo -63.05 95.73 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.408 1 C-N-CA 127.471 5.447 . . . . 0.0 115.53 -179.483 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.39 114.64 27.67 Favored 'General case' 1 C--N 1.483 6.393 0 CA-C-O 123.751 1.738 . . . . 0.0 113.125 170.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -120.75 26.13 9.29 Favored 'General case' 1 C--N 1.491 6.72 0 CA-C-O 122.791 1.281 . . . . 0.0 110.219 170.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -158.77 40.8 0.24 Allowed 'General case' 1 C--N 1.481 6.304 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.449 -172.759 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.353 95.6 m 6.42 55.29 0.0 OUTLIER 'General case' 1 C--N 1.484 6.434 1 CA-C-O 130.983 5.183 . . . . 0.0 108.619 -170.694 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ARG . 35.0 tt0 -41.33 99.14 0.2 Allowed Pre-proline 1 C--N 1.521 8.051 0 CA-C-N 109.583 -3.462 . . . . 0.0 114.331 170.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -66.58 169.3 14.59 Favored 'Trans proline' 1 C--N 1.479 7.404 1 C-N-CA 126.658 4.906 . . . . 0.0 113.447 178.67 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t0 167.94 95.37 0.0 OUTLIER 'General case' 1 C--N 1.478 6.176 0 CA-C-O 121.714 0.769 . . . . 0.0 111.495 172.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -123.42 119.1 29.02 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 121.405 0.622 . . . . 0.0 110.641 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 0.35 75.36 0.0 OUTLIER 'General case' 1 C--N 1.477 6.124 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 -171.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 52.61 85.21 0.19 Allowed Pre-proline 1 C--N 1.481 6.313 0 CA-C-O 121.994 0.902 . . . . 0.0 110.769 -171.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -58.81 -46.94 20.34 Favored 'Trans proline' 1 C--N 1.478 7.395 1 C-N-CA 126.474 4.782 . . . . 0.0 115.005 -179.26 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -62.36 -64.92 0.78 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.74 0.781 . . . . 0.0 110.949 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -46.93 -86.05 0.0 OUTLIER 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.837 0.827 . . . . 0.0 111.242 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -81.12 -171.51 3.27 Favored 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.766 0.793 . . . . 0.0 111.032 -172.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -175.49 -96.76 0.0 OUTLIER 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.752 0.787 . . . . 0.0 110.978 -178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 50.21 91.9 0.02 OUTLIER 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.785 0.802 . . . . 0.0 111.039 -172.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.21 -38.59 66.03 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.766 0.793 . . . . 0.0 111.027 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -117.88 -165.53 1.11 Allowed 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.729 0.776 . . . . 0.0 110.998 175.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.49 31.52 1.64 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.171 0 CA-C-O 121.77 0.795 . . . . 0.0 110.99 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.3 m -112.36 69.07 0.68 Allowed 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.783 0.802 . . . . 0.0 110.996 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.61 114.44 13.53 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.736 0.779 . . . . 0.0 111.015 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.25 -42.86 0.33 Allowed 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.756 0.789 . . . . 0.0 110.945 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -124.45 -168.88 1.87 Allowed 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.755 0.788 . . . . 0.0 110.959 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 . . . . . 1 C--N 1.479 6.235 0 CA-C-O 121.999 0.904 . . . . 0.0 111.021 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 11.6 mtm . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.843 0.83 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 59.89 175.13 0.09 Allowed 'General case' 1 C--N 1.481 6.294 0 CA-C-O 121.889 0.852 . . . . 0.0 110.992 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -102.31 73.38 1.34 Allowed 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.819 0.818 . . . . 0.0 110.974 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 162.85 1.68 Allowed 'General case' 1 C--N 1.48 6.25 0 CA-C-O 121.716 0.769 . . . . 0.0 110.96 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -138.68 -149.36 0.29 Allowed 'General case' 1 C--N 1.478 6.174 0 CA-C-O 121.22 0.533 . . . . 0.0 110.796 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p -68.09 -18.68 64.73 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.336 -0.852 . . . . 0.0 111.394 -174.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.67 21.76 2.11 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.393 -0.817 . . . . 0.0 111.863 -173.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.92 -66.7 0.47 Allowed 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.335 -0.853 . . . . 0.0 111.184 -176.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.11 -33.32 63.55 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.579 0.704 . . . . 0.0 111.374 -172.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -73.43 -51.69 16.36 Favored 'General case' 1 C--N 1.48 6.273 0 CA-C-O 121.953 0.883 . . . . 0.0 110.843 -175.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.43 -42.36 87.14 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 122.293 1.044 . . . . 0.0 110.759 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -76.72 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 123.631 1.681 . . . . 0.0 112.885 173.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 22.6 t-105 -72.0 -32.02 66.8 Favored 'General case' 1 C--N 1.487 6.544 0 O-C-N 120.743 -1.223 . . . . 0.0 111.418 -170.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -55.57 -32.2 62.82 Favored 'General case' 1 C--N 1.481 6.302 0 CA-C-O 121.965 0.888 . . . . 0.0 109.791 171.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -58.02 -41.87 84.06 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.36 171.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.56 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 16.6 t -49.97 -55.93 4.48 Favored 'Isoleucine or valine' 1 C--N 1.494 6.885 0 C-N-CA 119.594 -0.842 . . . . 0.0 111.099 171.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -49.73 -41.9 44.82 Favored 'General case' 1 C--N 1.476 6.076 0 CA-C-O 123.463 1.601 . . . . 0.0 109.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.27 51.18 2.17 Favored 'General case' 1 C--N 1.486 6.535 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.651 175.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -54.62 -12.78 0.81 Allowed 'General case' 1 C--N 1.479 6.21 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -171.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -75.28 -68.68 0.28 Allowed Pre-proline 1 C--N 1.477 6.127 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -81.58 -95.41 0.0 OUTLIER 'Trans proline' 1 C--N 1.485 7.762 2 N-CA-C 126.154 5.405 . . . . 0.0 126.154 -177.219 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' C ' ' ND2' ' A' ' 22' ' ' ASN 0.379 0.7 OUTLIER -98.83 62.27 1.33 Allowed 'General case' 1 C--N 1.483 6.379 0 CA-C-O 125.687 2.66 . . . . 0.0 105.396 -167.493 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.82 -38.97 0.1 Allowed 'General case' 1 C--N 1.485 6.481 0 CA-C-N 110.934 -2.848 . . . . 0.0 111.054 -176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.93 -100.65 0.0 OUTLIER 'General case' 1 C--N 1.478 6.166 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -176.016 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.24 16.71 21.72 Favored Glycine 1 C--N 1.484 8.796 0 O-C-N 120.827 -1.171 . . . . 0.0 113.352 -169.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.5 -12.71 45.13 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 121.535 -0.979 . . . . 0.0 110.977 171.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -173.29 178.5 2.4 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.102 0.954 . . . . 0.0 111.431 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.624 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 17.6 m -143.74 151.7 16.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.25 -0.906 . . . . 0.0 109.346 -170.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -134.16 143.45 47.92 Favored 'General case' 1 C--N 1.476 6.094 0 O-C-N 120.991 -1.068 . . . . 0.0 110.567 -175.046 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.01 97.14 4.69 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.775 0.798 . . . . 0.0 111.044 -172.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 51' ' ' ASN . 8.4 p -91.42 111.44 23.9 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-O 121.11 0.481 . . . . 0.0 110.594 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -84.26 29.22 0.59 Allowed 'General case' 1 C--N 1.481 6.307 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 -171.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -100.56 -35.01 9.67 Favored 'General case' 1 C--N 1.478 6.17 0 O-C-N 121.056 -1.027 . . . . 0.0 110.939 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 m -110.92 16.91 20.99 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-O 121.404 0.621 . . . . 0.0 111.236 172.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.76 36.51 19.31 Favored Glycine 1 C--N 1.479 8.497 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.1 pt -122.74 135.35 63.1 Favored 'Isoleucine or valine' 1 C--N 1.482 6.336 0 CA-C-O 122.56 1.172 . . . . 0.0 112.005 174.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -114.01 127.76 56.09 Favored 'General case' 1 C--N 1.478 6.158 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 171.257 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -139.39 156.32 47.06 Favored 'General case' 1 C--N 1.477 6.125 0 O-C-N 120.736 -1.227 . . . . 0.0 113.951 -169.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -76.28 113.37 27.8 Favored Pre-proline 1 C--N 1.477 6.111 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.97 82.48 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 126.251 4.634 . . . . 0.0 114.403 -177.63 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -152.48 -34.33 0.13 Allowed 'General case' 1 C--N 1.491 6.747 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 100.03 0.04 OUTLIER 'General case' 1 C--N 1.487 6.586 0 CA-C-O 122.444 1.116 . . . . 0.0 109.182 -171.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -41.28 80.34 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -169.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 177.39 0.42 Allowed 'General case' 1 C--N 1.478 6.159 0 CA-C-O 122.637 1.208 . . . . 0.0 110.183 -171.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -50.69 -27.32 6.8 Favored 'General case' 1 C--N 1.487 6.557 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.224 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t60 40.48 -96.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.514 0.673 . . . . 0.0 112.159 171.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.14 158.2 16.41 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.816 0.817 . . . . 0.0 111.076 -172.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 168.67 19.52 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.041 0.924 . . . . 0.0 111.158 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 8.84 14.78 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.817 0.818 . . . . 0.0 111.033 171.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.56 -1.18 57.43 Favored 'General case' 1 C--N 1.481 6.312 0 O-C-N 121.053 -1.029 . . . . 0.0 113.704 -170.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -139.14 23.98 2.55 Favored 'General case' 1 C--N 1.471 5.853 0 CA-C-O 125.593 2.616 . . . . 0.0 107.374 171.687 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.71 142.8 15.09 Favored 'Isoleucine or valine' 1 C--N 1.502 7.207 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.785 -165.317 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 t -105.16 173.2 6.41 Favored 'General case' 1 C--N 1.478 6.152 0 O-C-N 120.464 -1.398 . . . . 0.0 110.886 172.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -135.99 153.96 51.23 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 121.309 -0.87 . . . . 0.0 111.938 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.624 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.66 155.75 39.0 Favored 'General case' 1 C--N 1.481 6.315 0 O-C-N 121.652 -0.655 . . . . 0.0 111.001 172.869 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.35 75.76 Favored 'General case' 1 C--N 1.481 6.311 0 O-C-N 120.638 -1.289 . . . . 0.0 112.061 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -143.82 152.6 41.41 Favored 'General case' 1 C--N 1.48 6.244 0 O-C-N 121.254 -0.904 . . . . 0.0 111.396 174.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.61 -20.12 62.99 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 121.236 0.541 . . . . 0.0 111.704 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.33 -47.2 37.08 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.903 0.859 . . . . 0.0 110.741 177.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.94 -47.53 58.5 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.864 -176.874 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . . . -50.82 -29.05 10.69 Favored 'General case' 1 C--N 1.481 6.296 0 O-C-N 120.983 -1.073 . . . . 0.0 112.29 172.167 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -75.65 -43.29 48.36 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 121.353 -0.842 . . . . 0.0 110.555 173.926 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -24.14 20.08 Favored 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.282 171.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.28 86.41 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.899 1.333 . . . . 0.0 108.947 171.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.36 24.9 6.9 Favored Glycine 1 C--N 1.484 8.77 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 172.303 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -94.08 -173.43 3.11 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-N 114.895 -0.652 . . . . 0.0 112.142 -171.783 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.75 115.8 65.83 Favored Pre-proline 1 C--N 1.48 6.254 0 O-C-N 120.862 -1.149 . . . . 0.0 112.652 -171.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -59.21 104.16 0.2 Allowed 'Trans proline' 1 C--N 1.482 7.568 1 C-N-CA 126.84 5.027 . . . . 0.0 115.179 -179.071 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.3 t -106.34 104.0 13.6 Favored 'General case' 1 C--N 1.477 6.142 0 CA-C-O 124.056 1.884 . . . . 0.0 110.078 171.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.46 -80.23 0.33 Allowed 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.328 -171.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp85 -62.12 -74.29 0.09 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 171.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.68 76.47 0.01 OUTLIER 'General case' 1 C--N 1.478 6.18 0 CA-C-O 122.485 1.136 . . . . 0.0 110.893 168.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 144.76 0.47 Allowed Pre-proline 1 C--N 1.474 5.999 0 CA-C-O 122.263 1.03 . . . . 0.0 111.999 175.128 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -52.04 -72.67 0.04 OUTLIER 'Trans proline' 1 C--N 1.482 7.556 1 C-N-CA 126.789 4.992 . . . . 0.0 115.224 -179.248 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.63 -73.55 0.01 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.096 0.95 . . . . 0.0 111.624 -171.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.74 133.0 54.93 Favored 'General case' 1 C--N 1.481 6.285 0 CA-C-O 122.027 0.918 . . . . 0.0 110.781 -171.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -13.45 81.75 0.0 OUTLIER 'General case' 1 C--N 1.479 6.196 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.7 t30 39.15 87.86 0.11 Allowed Pre-proline 1 C--N 1.479 6.224 0 CA-C-O 122.058 0.933 . . . . 0.0 113.075 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -66.87 -169.64 0.19 Allowed 'Trans proline' 1 C--N 1.479 7.402 1 C-N-CA 126.255 4.637 . . . . 0.0 114.022 178.952 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.49 171.13 18.03 Favored 'General case' 1 C--N 1.477 6.127 0 CA-C-O 121.783 0.802 . . . . 0.0 110.893 -174.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 171.04 155.04 0.06 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.652 0.739 . . . . 0.0 110.82 -172.079 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 -160.21 1.01 Allowed 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.781 0.8 . . . . 0.0 110.986 177.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 111.28 1.42 Allowed 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.746 0.784 . . . . 0.0 110.958 177.132 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.53 170.23 0.22 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.737 0.779 . . . . 0.0 110.953 177.48 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 82.23 98.22 0.05 OUTLIER 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.799 0.809 . . . . 0.0 111.006 173.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 43.23 2.75 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.725 0.774 . . . . 0.0 110.917 173.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 tt -98.7 146.84 7.56 Favored 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.766 0.793 . . . . 0.0 110.96 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -125.69 72.43 1.28 Allowed 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.764 0.792 . . . . 0.0 110.995 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -135.05 103.52 5.59 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.761 0.791 . . . . 0.0 110.986 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.93 -39.66 0.02 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.826 0.822 . . . . 0.0 110.97 -174.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m 66.78 -90.62 0.03 OUTLIER 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.765 0.793 . . . . 0.0 110.893 175.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.48 6.24 0 CA-C-O 121.976 0.893 . . . . 0.0 111.002 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.859 0 CA-C-O 121.066 0.46 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -119.35 -54.71 2.18 Favored 'General case' 1 C--N 1.478 6.186 0 O-C-N 121.342 -0.849 . . . . 0.0 110.992 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -58.86 101.12 0.08 Allowed 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.728 0.775 . . . . 0.0 110.95 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.5 119.01 16.11 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.796 0.808 . . . . 0.0 111.019 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -122.37 -30.9 3.89 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.618 0.723 . . . . 0.0 111.267 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.3 t -75.55 -113.55 0.01 OUTLIER 'General case' 1 C--N 1.479 6.212 0 O-C-N 121.718 -0.614 . . . . 0.0 110.839 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.74 99.69 11.51 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 121.102 -0.999 . . . . 0.0 110.944 -173.329 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -146.66 -79.13 0.16 Allowed 'General case' 1 C--N 1.48 6.241 0 CA-C-O 121.42 0.629 . . . . 0.0 111.12 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -37.7 62.3 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.813 0.815 . . . . 0.0 110.682 174.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -47.57 -75.09 0.03 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.951 0.882 . . . . 0.0 110.638 172.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.59 -42.59 11.35 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.958 0.885 . . . . 0.0 111.237 -174.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -54.64 -78.69 0.02 OUTLIER 'General case' 1 C--N 1.478 6.16 0 CA-C-O 124.067 1.889 . . . . 0.0 113.046 -176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.493 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 16.6 t-105 -68.17 -25.57 65.32 Favored 'General case' 1 C--N 1.49 6.675 0 O-C-N 120.606 -1.309 . . . . 0.0 110.102 -170.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.67 -41.65 86.65 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 122.087 0.946 . . . . 0.0 109.567 171.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.2 t -45.52 -38.35 6.25 Favored 'General case' 1 C--N 1.484 6.423 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.574 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 1.5 t -68.15 -56.32 13.17 Favored 'Isoleucine or valine' 1 C--N 1.494 6.855 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 171.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -44.25 -44.28 7.86 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.043 -1.661 . . . . 0.0 110.252 -171.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 -99.81 0.0 OUTLIER 'General case' 1 C--N 1.488 6.618 0 CA-C-N 114.814 -1.084 . . . . 0.0 113.321 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.52 -93.74 0.0 OUTLIER 'General case' 1 C--N 1.48 6.269 0 CA-C-O 122.107 0.956 . . . . 0.0 111.423 -171.078 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.38 150.84 68.18 Favored Pre-proline 1 C--N 1.481 6.286 0 CA-C-O 121.801 0.81 . . . . 0.0 110.696 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -28.49 80.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.477 7.294 1 C-N-CA 126.583 4.855 . . . . 0.0 114.949 179.73 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -40.23 20.17 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.78 0.8 . . . . 0.0 110.878 173.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.41 21.59 1.06 Allowed 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.234 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -48.49 -82.61 0.01 OUTLIER 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.925 0.869 . . . . 0.0 110.814 172.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.66 -81.4 1.59 Allowed Glycine 1 C--N 1.479 8.526 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -150.98 16.38 0.75 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.287 0.565 . . . . 0.0 110.834 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -84.49 150.82 25.01 Favored 'General case' 1 C--N 1.481 6.309 0 O-C-N 121.048 -1.032 . . . . 0.0 111.994 -171.429 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.611 ' CG2' ' CG ' ' A' ' 55' ' ' TYR . 1.3 m -128.52 155.41 40.29 Favored 'Isoleucine or valine' 1 C--N 1.478 6.188 0 O-C-N 121.009 -1.057 . . . . 0.0 110.098 -170.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.88 136.13 36.81 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.76 -1.212 . . . . 0.0 110.371 -171.304 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.46 101.77 8.18 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.117 -0.99 . . . . 0.0 112.083 -174.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -86.13 91.9 3.42 Favored 'Isoleucine or valine' 1 C--N 1.476 6.104 0 CA-C-O 121.423 0.63 . . . . 0.0 109.604 171.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.17 31.47 0.56 Allowed 'General case' 1 C--N 1.482 6.361 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -169.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.4 t -101.46 -42.69 6.17 Favored 'General case' 1 C--N 1.478 6.182 0 O-C-N 120.761 -1.212 . . . . 0.0 109.846 -179.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 m -96.31 -14.48 22.55 Favored 'General case' 1 C--N 1.48 6.259 0 CA-C-O 122.247 1.022 . . . . 0.0 110.058 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 67' ' ' ARG . . . 84.5 61.38 1.8 Allowed Glycine 1 C--N 1.481 8.618 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.661 171.069 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -140.48 137.32 36.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.162 0 O-C-N 120.871 -1.37 . . . . 0.0 111.582 169.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -105.78 108.73 20.39 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 121.552 -0.718 . . . . 0.0 109.135 170.815 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.5 156.83 33.31 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 120.029 -1.67 . . . . 0.0 112.748 -170.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.99 118.78 73.63 Favored Pre-proline 1 C--N 1.476 6.067 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 167.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.563 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -17.35 90.13 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.007 1 C-N-CA 127.046 5.164 . . . . 0.0 115.685 -177.65 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -161.33 -80.59 0.04 OUTLIER 'General case' 1 C--N 1.488 6.621 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -0.35 90.79 0.01 OUTLIER 'General case' 1 C--N 1.482 6.37 0 C-N-CA 125.73 1.612 . . . . 0.0 113.483 -168.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -72.03 3.58 4.27 Favored 'General case' 1 C--N 1.487 6.567 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.815 -171.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 46' ' ' HIS . . . -56.76 -170.9 0.0 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 123.057 1.408 . . . . 0.0 109.829 171.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -19.5 0.03 OUTLIER 'General case' 1 C--N 1.488 6.604 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.488 172.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 44' ' ' ALA . 6.9 t-160 90.81 132.96 0.03 OUTLIER 'General case' 1 C--N 1.478 6.165 0 CA-C-O 122.273 1.035 . . . . 0.0 112.422 170.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.21 121.28 15.88 Favored 'General case' 1 C--N 1.483 6.411 0 CA-C-O 121.879 0.847 . . . . 0.0 110.958 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 157.7 4.53 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.807 0.813 . . . . 0.0 111.049 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -85.99 12.0 10.34 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.598 0.713 . . . . 0.0 111.073 171.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.9 -25.12 23.4 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.681 -0.637 . . . . 0.0 112.338 -171.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' ND2' ' N ' ' A' ' 33' ' ' THR 0.285 8.2 p-10 -131.53 18.68 4.77 Favored 'General case' 1 C--N 1.469 5.766 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -176.274 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.9 145.3 9.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.225 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.387 -163.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.53 171.65 7.39 Favored 'General case' 1 C--N 1.477 6.151 0 O-C-N 120.421 -1.425 . . . . 0.0 110.893 172.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 55' ' ' TYR . 53.0 m-85 -138.1 149.59 46.09 Favored 'General case' 1 C--N 1.483 6.4 0 CA-C-O 122.674 1.226 . . . . 0.0 112.295 176.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.634 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -146.81 157.46 43.67 Favored 'General case' 1 C--N 1.482 6.334 0 C-N-CA 123.853 0.861 . . . . 0.0 109.972 -176.748 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.36 -27.01 32.41 Favored 'General case' 1 C--N 1.479 6.203 0 O-C-N 119.874 -1.766 . . . . 0.0 112.572 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -145.94 153.58 40.97 Favored 'General case' 1 C--N 1.48 6.259 0 O-C-N 121.155 -0.966 . . . . 0.0 111.599 175.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.44 72.58 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.651 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -43.7 -33.85 1.35 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 122.001 0.905 . . . . 0.0 110.978 -174.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.634 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -67.15 -56.24 10.77 Favored 'General case' 1 C--N 1.481 6.318 0 CA-C-O 121.454 0.645 . . . . 0.0 111.295 -179.708 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.591 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -56.01 -30.0 61.19 Favored 'General case' 1 C--N 1.48 6.279 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.022 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.7 pp -78.86 -41.85 28.89 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 121.032 -1.042 . . . . 0.0 110.522 171.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.02 -23.55 5.36 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.895 0.855 . . . . 0.0 110.628 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -73.82 -41.55 62.16 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.612 1.196 . . . . 0.0 109.557 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 112.73 33.92 1.97 Allowed Glycine 1 C--N 1.482 8.68 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 173.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -102.38 -163.3 0.99 Allowed 'General case' 1 C--N 1.48 6.263 0 CA-C-N 114.731 -0.735 . . . . 0.0 111.688 -171.542 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -108.57 131.05 22.02 Favored Pre-proline 1 C--N 1.484 6.431 0 O-C-N 120.333 -1.48 . . . . 0.0 110.168 170.368 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -83.41 62.67 7.41 Favored 'Trans proline' 1 C--N 1.477 7.317 1 C-N-CA 126.321 4.681 . . . . 0.0 114.097 -179.418 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.8 t -41.63 100.51 0.02 OUTLIER 'General case' 1 C--N 1.482 6.345 0 CA-C-O 124.412 2.053 . . . . 0.0 109.791 171.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -79.5 0.34 Allowed 'General case' 1 C--N 1.496 6.953 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.128 -171.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -75.04 0.08 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.15 53.58 0.0 OUTLIER 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.821 1.296 . . . . 0.0 110.751 168.433 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.47 94.45 0.08 OUTLIER Pre-proline 1 C--N 1.475 6.025 0 CA-C-N 115.047 -0.978 . . . . 0.0 113.41 173.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -86.73 -163.2 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.401 1 C-N-CA 126.754 4.97 . . . . 0.0 113.792 178.636 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 92.34 98.34 0.02 OUTLIER 'General case' 1 C--N 1.491 6.719 0 CA-C-O 121.869 0.842 . . . . 0.0 111.32 171.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -122.57 -87.9 0.63 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.399 0.618 . . . . 0.0 110.529 171.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -23.16 -56.62 0.03 OUTLIER 'General case' 1 C--N 1.477 6.117 0 CA-C-O 121.934 0.873 . . . . 0.0 113.244 171.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -145.58 119.74 5.48 Favored Pre-proline 1 C--N 1.48 6.27 0 CA-C-O 121.892 0.853 . . . . 0.0 110.947 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.34 -27.6 16.04 Favored 'Trans proline' 1 C--N 1.479 7.419 1 C-N-CA 126.361 4.707 . . . . 0.0 115.565 -179.374 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 72.3 19.21 4.44 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.734 0.778 . . . . 0.0 110.969 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 70.99 -168.15 0.15 Allowed 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.698 0.761 . . . . 0.0 111.012 -172.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -99.49 -82.98 0.43 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.629 0.728 . . . . 0.0 110.988 -172.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -149.93 18.26 0.88 Allowed 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.732 0.777 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.06 98.87 12.02 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.766 0.794 . . . . 0.0 110.95 -174.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -135.01 55.17 1.9 Allowed 'General case' 1 C--N 1.479 6.203 0 CA-C-O 122.195 0.998 . . . . 0.0 110.928 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 -177.17 0.19 Allowed 'General case' 1 C--N 1.482 6.346 0 CA-C-O 121.863 0.84 . . . . 0.0 111.008 -177.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -152.34 145.99 15.42 Favored 'Isoleucine or valine' 1 C--N 1.479 6.236 0 CA-C-O 121.76 0.791 . . . . 0.0 110.984 -176.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.5 m -116.69 151.15 36.94 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.715 0.769 . . . . 0.0 111.01 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -102.18 129.38 48.54 Favored 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.72 0.772 . . . . 0.0 111.079 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.91 -96.85 0.04 OUTLIER 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.763 0.792 . . . . 0.0 110.992 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 73.84 162.23 0.26 Allowed 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.731 0.777 . . . . 0.0 110.93 -173.056 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 1 C--N 1.478 6.189 0 CA-C-O 122.035 0.922 . . . . 0.0 111.027 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.709 0.766 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.27 122.2 17.77 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.747 0.784 . . . . 0.0 111.0 176.405 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 -166.35 1.89 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.758 0.789 . . . . 0.0 110.98 176.126 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.2 -20.7 51.32 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.525 0.678 . . . . 0.0 111.26 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 57.57 0.73 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.826 0.822 . . . . 0.0 111.134 -172.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -86.0 20.98 2.08 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.438 0.637 . . . . 0.0 111.46 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.21 101.45 0.16 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.847 0.832 . . . . 0.0 110.926 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.45 169.52 8.47 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 121.96 0.885 . . . . 0.0 111.422 -172.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -23.62 51.2 Favored 'General case' 1 C--N 1.482 6.33 0 CA-C-O 121.858 0.837 . . . . 0.0 110.699 173.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -56.29 24.09 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.16 0.981 . . . . 0.0 110.82 173.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -33.28 75.67 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 122.214 1.007 . . . . 0.0 111.275 -171.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -46.99 -70.44 0.1 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 125.098 2.38 . . . . 0.0 112.319 171.737 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 35.9 t-105 -72.24 -18.11 61.85 Favored 'General case' 1 C--N 1.493 6.81 0 O-C-N 120.546 -1.346 . . . . 0.0 109.834 -171.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -39.01 93.26 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.277 1.037 . . . . 0.0 108.658 170.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.1 m -44.47 -48.0 10.01 Favored 'General case' 1 C--N 1.487 6.56 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.467 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -63.05 -60.84 2.12 Favored 'Isoleucine or valine' 1 C--N 1.493 6.811 0 C-N-CA 119.195 -1.002 . . . . 0.0 113.162 178.062 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.93 -49.16 20.99 Favored 'General case' 1 C--N 1.476 6.096 0 O-C-N 119.242 -2.161 . . . . 0.0 110.125 -172.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -82.68 0.01 OUTLIER 'General case' 1 C--N 1.488 6.593 0 CA-C-N 114.832 -1.076 . . . . 0.0 113.9 -170.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -178.81 29.58 0.0 OUTLIER 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.984 0.897 . . . . 0.0 110.572 -170.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.21 128.05 84.89 Favored Pre-proline 1 C--N 1.481 6.302 0 CA-C-O 122.071 0.939 . . . . 0.0 110.888 -171.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -57.32 -87.97 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.372 1 C-N-CA 125.981 4.454 . . . . 0.0 114.028 179.237 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -90.74 -77.95 0.4 Allowed 'General case' 1 C--N 1.477 6.116 0 CA-C-O 123.65 1.691 . . . . 0.0 109.032 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.28 92.5 0.99 Allowed 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.012 170.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.512 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 m-20 -38.35 131.37 1.2 Allowed 'General case' 1 C--N 1.477 6.132 0 CA-C-O 125.451 2.548 . . . . 0.0 112.281 -171.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -92.64 1.79 Allowed Glycine 1 C--N 1.491 9.185 0 N-CA-C 107.15 -2.38 . . . . 0.0 107.15 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -160.59 24.12 0.15 Allowed 'General case' 1 C--N 1.474 6.019 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.862 168.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.635 ' CE2' ' CE2' ' A' ' 54' ' ' PHE . 11.4 p90 -80.2 163.48 24.0 Favored 'General case' 1 C--N 1.504 7.307 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -169.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.698 ' CG2' ' CD2' ' A' ' 55' ' ' TYR . 2.5 m -138.32 156.7 30.51 Favored 'Isoleucine or valine' 1 C--N 1.486 6.521 0 C-N-CA 125.187 1.395 . . . . 0.0 109.35 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.52 142.74 47.11 Favored 'General case' 1 C--N 1.477 6.127 0 O-C-N 120.126 -1.608 . . . . 0.0 109.906 -175.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.15 100.79 7.4 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 121.436 -0.79 . . . . 0.0 110.846 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.84 104.18 15.3 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-O 121.86 0.838 . . . . 0.0 110.32 176.192 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -83.65 28.3 0.57 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -170.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -96.27 -41.48 8.64 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 121.207 -0.933 . . . . 0.0 110.754 175.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.5 m -101.67 -5.05 25.49 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.87 54.75 6.94 Favored Glycine 1 C--N 1.478 8.463 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.1 pt -135.72 128.59 47.28 Favored 'Isoleucine or valine' 1 C--N 1.482 6.345 0 CA-C-O 122.409 1.099 . . . . 0.0 112.569 174.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -106.58 118.34 36.42 Favored 'General case' 1 C--N 1.48 6.251 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.041 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 69' ' ' CYS . 14.6 p -159.9 -159.39 0.72 Allowed 'General case' 1 C--N 1.473 5.97 0 O-C-N 120.919 -1.113 . . . . 0.0 110.464 -174.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -94.49 160.9 30.68 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 121.406 0.622 . . . . 0.0 110.021 171.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -23.92 162.57 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.267 1 C-N-CA 128.393 6.062 . . . . 0.0 119.733 -179.241 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 p 0.67 117.1 0.0 OUTLIER 'General case' 1 C--N 1.484 6.451 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 -171.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 m -92.43 162.97 14.02 Favored 'General case' 1 C--N 1.49 6.687 0 CA-C-O 123.237 1.494 . . . . 0.0 112.745 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -6.34 -59.17 0.0 OUTLIER 'General case' 1 C--N 1.479 6.22 0 C-N-CA 126.011 1.724 . . . . 0.0 114.276 170.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.24 -174.35 3.66 Favored 'General case' 1 C--N 1.477 6.148 0 CA-C-O 124.052 1.882 . . . . 0.0 112.88 -169.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -41.86 -21.32 0.02 OUTLIER 'General case' 1 C--N 1.489 6.672 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.92 172.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 89.02 102.55 0.03 OUTLIER 'General case' 1 C--N 1.478 6.17 0 CA-C-O 122.394 1.092 . . . . 0.0 110.779 171.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -46.46 149.27 0.8 Allowed 'General case' 1 C--N 1.483 6.389 0 CA-C-O 121.953 0.882 . . . . 0.0 110.917 -172.166 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.63 174.13 8.76 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.755 0.788 . . . . 0.0 110.926 -177.847 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -83.22 9.28 11.01 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.721 -0.612 . . . . 0.0 111.686 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.515 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.4 -10.7 51.31 Favored 'General case' 1 C--N 1.479 6.236 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -170.387 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.73 21.19 2.69 Favored 'General case' 1 C--N 1.47 5.836 0 CA-C-O 124.908 2.289 . . . . 0.0 107.557 172.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -98.95 143.87 12.64 Favored 'Isoleucine or valine' 1 C--N 1.496 6.945 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.39 -165.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -111.55 177.55 4.62 Favored 'General case' 1 C--N 1.477 6.119 0 O-C-N 120.601 -1.312 . . . . 0.0 110.825 175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CE2' ' CE2' ' A' ' 27' ' ' PHE . 7.0 m-85 -148.31 141.05 24.6 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.652 1.215 . . . . 0.0 112.796 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.698 ' CD2' ' CG2' ' A' ' 28' ' ' VAL . 3.4 m-85 -145.97 156.73 43.71 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.672 -174.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -9.15 58.19 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 120.179 -1.575 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -162.09 160.27 27.19 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.772 0.796 . . . . 0.0 110.802 171.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.63 68.92 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.615 0.721 . . . . 0.0 111.269 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -55.56 -28.55 55.58 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.787 0.803 . . . . 0.0 110.845 -175.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' CG ' ' CD1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -69.51 -62.19 1.48 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.604 0.716 . . . . 0.0 111.374 173.849 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.57 ' CB ' ' CD1' ' A' ' 37' ' ' PHE . . . -54.46 -22.12 11.83 Favored 'General case' 1 C--N 1.48 6.277 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.26 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 2.4 pp -81.1 -43.39 19.52 Favored 'General case' 1 C--N 1.478 6.159 0 O-C-N 120.815 -1.178 . . . . 0.0 110.69 171.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.67 -26.43 9.16 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.916 0.865 . . . . 0.0 110.537 171.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.68 75.76 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-O 122.962 1.363 . . . . 0.0 109.392 171.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 108.61 37.74 2.02 Favored Glycine 1 C--N 1.483 8.722 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 172.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -107.47 -177.72 3.43 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-N 114.635 -0.783 . . . . 0.0 112.265 -170.808 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.9 116.11 64.97 Favored Pre-proline 1 C--N 1.479 6.204 0 CA-C-O 122.492 1.139 . . . . 0.0 113.18 -170.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -55.29 121.04 9.2 Favored 'Trans proline' 1 C--N 1.485 7.75 1 C-N-CA 127.004 5.136 . . . . 0.0 115.282 -179.574 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' CYS 0.363 7.3 t -131.25 84.37 2.17 Favored 'General case' 1 C--N 1.476 6.102 0 CA-C-O 127.33 3.443 . . . . 0.0 108.689 171.117 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -90.61 0.0 OUTLIER 'General case' 1 C--N 1.506 7.371 0 O-C-N 118.607 -2.558 . . . . 0.0 112.761 -167.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -68.3 0.29 Allowed 'General case' 1 C--N 1.482 6.332 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 171.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.92 66.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.177 0 CA-C-O 123.712 1.72 . . . . 0.0 110.351 166.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -40.95 94.02 0.07 OUTLIER Pre-proline 1 C--N 1.478 6.189 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.93 -156.5 0.07 OUTLIER 'Trans proline' 1 C--N 1.478 7.355 1 C-N-CA 127.721 5.614 . . . . 0.0 113.084 178.205 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -128.65 -96.54 0.39 Allowed 'General case' 1 C--N 1.477 6.147 0 CA-C-O 121.633 0.73 . . . . 0.0 110.808 171.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -157.63 135.88 11.05 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.463 0.649 . . . . 0.0 110.681 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.37 -52.47 0.01 OUTLIER 'General case' 1 C--N 1.477 6.114 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 171.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 168.01 104.76 0.04 OUTLIER Pre-proline 1 C--N 1.48 6.278 0 CA-C-O 121.92 0.867 . . . . 0.0 110.927 173.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -36.91 155.11 0.02 OUTLIER 'Trans proline' 1 C--N 1.477 7.305 1 C-N-CA 126.381 4.721 . . . . 0.0 114.922 -179.88 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 73.91 96.26 0.07 Allowed 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.753 0.787 . . . . 0.0 111.291 -177.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.51 169.98 0.02 OUTLIER 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.822 0.82 . . . . 0.0 111.213 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -144.34 129.91 19.04 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.728 0.775 . . . . 0.0 110.954 173.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -75.03 -37.23 61.81 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.739 0.78 . . . . 0.0 111.006 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.98 -130.92 0.01 OUTLIER 'General case' 1 C--N 1.479 6.197 0 O-C-N 121.891 -0.506 . . . . 0.0 110.737 -172.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 t0 84.04 -164.53 0.01 OUTLIER 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.052 -1.03 . . . . 0.0 110.662 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? 53.15 26.09 4.74 Favored 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.751 0.786 . . . . 0.0 110.947 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -100.95 -40.05 7.51 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.77 0.795 . . . . 0.0 110.97 -179.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.24 163.5 13.57 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.761 0.791 . . . . 0.0 110.983 173.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -102.6 -71.94 0.71 Allowed 'General case' 1 C--N 1.479 6.203 0 CA-C-O 121.777 0.798 . . . . 0.0 111.114 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.87 151.53 27.26 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.735 0.779 . . . . 0.0 111.024 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.81 125.22 14.75 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.771 0.796 . . . . 0.0 110.999 -177.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 . . . . . 1 C--N 1.479 6.226 0 CA-C-O 121.985 0.898 . . . . 0.0 110.832 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.727 0.775 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 110.33 5.27 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.76 0.791 . . . . 0.0 110.971 -179.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -151.2 70.25 0.97 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.935 0.874 . . . . 0.0 110.967 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.59 16.96 4.17 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.371 0.605 . . . . 0.0 111.466 -176.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -84.66 -39.74 18.25 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.72 0.771 . . . . 0.0 111.069 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.15 135.16 57.67 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.79 0.805 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.39 103.29 11.04 Favored 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.773 0.797 . . . . 0.0 110.962 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.42 147.83 23.82 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.866 0.841 . . . . 0.0 111.072 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.33 -19.86 9.93 Favored 'General case' 1 C--N 1.481 6.295 0 CA-C-O 121.845 0.831 . . . . 0.0 110.871 172.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.22 -49.67 68.8 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.881 0.848 . . . . 0.0 110.867 177.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -46.75 70.75 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.473 1.13 . . . . 0.0 110.934 -176.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -40.71 -70.27 0.11 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 124.69 2.186 . . . . 0.0 112.214 173.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.554 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 28.7 t-105 -72.14 -28.56 63.33 Favored 'General case' 1 C--N 1.489 6.639 0 O-C-N 120.622 -1.298 . . . . 0.0 111.204 -170.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.22 -34.25 63.79 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 122.097 0.951 . . . . 0.0 109.572 171.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -58.85 -41.2 86.43 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.647 171.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.554 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 2.8 t -53.86 -57.26 5.95 Favored 'Isoleucine or valine' 1 C--N 1.494 6.851 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.017 171.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.28 -45.56 34.86 Favored 'General case' 1 C--N 1.476 6.097 0 CA-C-O 123.75 1.738 . . . . 0.0 109.084 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.94 62.12 6.72 Favored 'General case' 1 C--N 1.486 6.538 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.163 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -29.37 -45.49 0.05 OUTLIER 'General case' 1 C--N 1.48 6.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.868 172.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -51.22 110.44 1.79 Allowed Pre-proline 1 C--N 1.479 6.218 0 O-C-N 121.275 -0.891 . . . . 0.0 110.671 172.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -39.19 80.11 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.387 1 C-N-CA 126.588 4.859 . . . . 0.0 115.281 -179.115 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -87.84 -74.48 0.45 Allowed 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.92 0.866 . . . . 0.0 110.916 173.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.1 12.08 34.42 Favored 'General case' 1 C--N 1.48 6.272 0 CA-C-O 121.476 0.655 . . . . 0.0 111.383 177.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -83.82 0.01 OUTLIER 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.776 0.798 . . . . 0.0 110.706 -174.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.35 -83.14 1.5 Allowed Glycine 1 C--N 1.478 8.442 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 171.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.53 10.59 1.1 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.299 0.571 . . . . 0.0 111.054 172.116 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -77.09 161.16 28.49 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 123.049 1.404 . . . . 0.0 112.925 -170.509 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 58' ' ' ALA . 1.7 m -128.99 160.35 39.95 Favored 'Isoleucine or valine' 1 C--N 1.483 6.383 0 C-N-CA 124.432 1.093 . . . . 0.0 109.876 -172.144 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -134.88 159.63 40.79 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.523 -1.361 . . . . 0.0 109.895 174.283 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.92 5.57 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 120.971 -1.081 . . . . 0.0 111.6 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 7.7 p -96.35 102.27 13.32 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.007 176.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.21 50.65 2.02 Favored 'General case' 1 C--N 1.478 6.153 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -44.18 8.02 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 120.434 -1.416 . . . . 0.0 110.043 178.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.4 m -112.27 -40.55 4.13 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-O 122.47 1.129 . . . . 0.0 110.013 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.03 72.14 0.14 Allowed Glycine 1 C--N 1.486 8.869 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.368 171.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -137.75 136.3 45.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.235 0 O-C-N 121.077 -1.249 . . . . 0.0 111.482 171.455 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 7.4 p90 -112.94 111.58 22.44 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.417 -0.802 . . . . 0.0 109.167 171.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.8 t -127.47 159.19 35.3 Favored 'General case' 1 C--N 1.478 6.167 0 O-C-N 120.242 -1.536 . . . . 0.0 112.79 -170.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.19 122.8 87.51 Favored Pre-proline 1 C--N 1.475 6.046 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 167.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.578 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -13.69 59.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.887 1 C-N-CA 128.577 6.185 . . . . 0.0 120.083 -176.56 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.48 118.41 0.04 OUTLIER 'General case' 1 C--N 1.48 6.277 0 O-C-N 120.814 -1.179 . . . . 0.0 113.147 171.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 m -142.43 96.37 2.94 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 120.408 -1.433 . . . . 0.0 109.981 168.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -2.19 -74.04 0.0 OUTLIER 'General case' 1 C--N 1.477 6.109 0 C-N-CA 125.63 1.572 . . . . 0.0 113.085 170.506 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 102.17 0.04 OUTLIER 'General case' 1 C--N 1.483 6.384 0 O-C-N 121.443 -0.785 . . . . 0.0 110.175 172.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.37 98.23 0.01 OUTLIER 'General case' 1 C--N 1.481 6.304 0 CA-C-O 122.824 1.297 . . . . 0.0 110.81 -170.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.33 156.15 0.12 Allowed 'General case' 1 C--N 1.484 6.413 0 CA-C-O 122.644 1.212 . . . . 0.0 112.605 -171.166 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -54.97 -173.19 0.0 OUTLIER 'General case' 1 C--N 1.483 6.405 0 CA-C-O 121.949 0.88 . . . . 0.0 110.836 173.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.89 176.5 8.85 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.895 0.855 . . . . 0.0 110.863 -176.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 14.11 7.46 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.321 1.058 . . . . 0.0 111.4 171.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.49 -16.56 32.39 Favored 'General case' 1 C--N 1.483 6.4 0 O-C-N 121.273 -0.892 . . . . 0.0 112.831 -170.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.76 24.0 3.37 Favored 'General case' 1 C--N 1.471 5.86 0 CA-C-O 125.443 2.544 . . . . 0.0 107.102 178.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.54 153.41 4.68 Favored 'Isoleucine or valine' 1 C--N 1.5 7.121 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.122 -165.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 172.45 7.77 Favored 'General case' 1 C--N 1.476 6.092 0 O-C-N 119.814 -1.804 . . . . 0.0 110.919 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 55' ' ' TYR . 26.1 m-85 -143.75 132.97 23.1 Favored 'General case' 1 C--N 1.481 6.314 0 CA-C-O 123.006 1.384 . . . . 0.0 111.585 -176.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.645 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -139.63 160.66 39.36 Favored 'General case' 1 C--N 1.481 6.283 0 C-N-CA 124.148 0.979 . . . . 0.0 110.073 -171.478 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -28.72 55.96 Favored 'General case' 1 C--N 1.48 6.27 0 O-C-N 119.381 -2.074 . . . . 0.0 112.884 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -146.12 159.11 43.74 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.1 -1.0 . . . . 0.0 112.054 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 37' ' ' PHE . . . -68.04 -8.88 41.54 Favored 'General case' 1 C--N 1.482 6.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.145 173.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -66.24 -32.48 73.93 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.296 -0.878 . . . . 0.0 110.752 173.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.645 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -70.1 -57.01 5.45 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.441 0.638 . . . . 0.0 111.452 173.507 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.562 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -57.25 -16.62 8.83 Favored 'General case' 1 C--N 1.479 6.202 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -49.35 9.81 Favored 'General case' 1 C--N 1.476 6.088 0 O-C-N 120.598 -1.314 . . . . 0.0 109.865 170.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.21 -22.11 4.04 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.712 0.768 . . . . 0.0 111.091 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -71.74 -42.35 67.38 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.682 1.23 . . . . 0.0 109.544 172.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.82 36.05 2.87 Favored Glycine 1 C--N 1.483 8.737 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 173.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.99 -165.46 1.19 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-N 114.601 -0.8 . . . . 0.0 111.716 -171.182 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -97.61 117.74 64.99 Favored Pre-proline 1 C--N 1.479 6.209 0 O-C-N 120.728 -1.232 . . . . 0.0 112.302 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 103.43 0.31 Allowed 'Trans proline' 1 C--N 1.48 7.495 1 C-N-CA 126.963 5.109 . . . . 0.0 114.915 -178.823 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.47 96.72 6.04 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.43 -89.64 0.12 Allowed 'General case' 1 C--N 1.495 6.905 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.946 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -68.75 0.24 Allowed 'General case' 1 C--N 1.477 6.141 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 169.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.78 66.71 0.01 OUTLIER 'General case' 1 C--N 1.479 6.215 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 169.044 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.53 -64.38 0.53 Allowed Pre-proline 1 C--N 1.473 5.969 0 CA-C-O 122.244 1.021 . . . . 0.0 112.083 -172.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.49 -179.94 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.378 1 C-N-CA 126.391 4.727 . . . . 0.0 114.682 -179.62 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 t70 166.69 88.01 0.0 OUTLIER 'General case' 1 C--N 1.478 6.156 0 CA-C-O 121.706 0.765 . . . . 0.0 110.806 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -77.0 -15.39 59.65 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 -172.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -22.06 -82.19 0.01 OUTLIER 'General case' 1 C--N 1.477 6.123 0 CA-C-O 121.946 0.879 . . . . 0.0 113.359 171.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.93 59.49 0.02 OUTLIER Pre-proline 1 C--N 1.481 6.325 0 CA-C-O 122.818 1.294 . . . . 0.0 110.853 172.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -73.02 -27.0 14.53 Favored 'Trans proline' 1 C--N 1.483 7.636 1 C-N-CA 126.324 4.682 . . . . 0.0 115.624 -179.321 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 87.05 -20.66 0.21 Allowed 'General case' 1 C--N 1.478 6.176 0 CA-C-O 121.294 0.569 . . . . 0.0 111.882 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 61.29 87.47 0.09 Allowed 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.689 0.757 . . . . 0.0 111.011 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.92 130.12 37.74 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 122.021 0.915 . . . . 0.0 110.958 175.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 43.05 -106.15 0.08 Allowed 'General case' 1 C--N 1.48 6.265 0 O-C-N 121.845 -0.534 . . . . 0.0 111.557 172.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 46.83 53.21 10.59 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.046 -1.034 . . . . 0.0 111.242 172.071 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.5 146.4 24.14 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.773 0.797 . . . . 0.0 110.984 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -76.27 137.2 39.77 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.781 0.801 . . . . 0.0 110.999 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 tt -133.44 -51.84 0.67 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.221 0 CA-C-O 121.775 0.798 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 t -121.04 156.06 33.01 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.727 0.775 . . . . 0.0 110.949 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -101.6 103.15 13.96 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.742 0.782 . . . . 0.0 111.094 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.7 -147.5 0.21 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.69 0.757 . . . . 0.0 111.025 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.34 36.63 2.09 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.729 0.776 . . . . 0.0 110.94 174.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 1 C--N 1.479 6.202 0 CA-C-O 122.044 0.926 . . . . 0.0 110.956 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.431 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 121.94 0.876 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -134.55 141.86 46.81 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.735 0.778 . . . . 0.0 111.45 -171.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.15 119.08 0.04 OUTLIER 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.53 1.157 . . . . 0.0 111.047 171.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.75 -147.8 0.13 Allowed 'General case' 1 C--N 1.484 6.436 0 O-C-N 121.081 -1.012 . . . . 0.0 111.082 -176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 p -104.68 -167.51 1.36 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.787 0.803 . . . . 0.0 111.021 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.83 117.18 21.91 Favored 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.756 0.789 . . . . 0.0 110.98 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 mt -85.51 4.97 33.41 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.256 0.55 . . . . 0.0 111.599 -172.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.82 -56.97 1.36 Allowed 'General case' 1 C--N 1.479 6.199 0 O-C-N 121.432 -0.792 . . . . 0.0 110.855 -173.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -39.38 61.38 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 122.203 1.001 . . . . 0.0 110.95 -178.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -29.42 36.8 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.975 -173.287 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -68.72 -47.04 67.36 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 122.443 1.116 . . . . 0.0 110.812 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -71.06 0.09 Allowed 'General case' 1 C--N 1.479 6.212 0 CA-C-O 124.028 1.871 . . . . 0.0 113.131 177.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.541 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 50.3 t-105 -77.36 -32.12 54.83 Favored 'General case' 1 C--N 1.484 6.417 0 O-C-N 120.678 -1.264 . . . . 0.0 112.905 -168.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.4 -22.29 19.29 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-O 122.204 1.002 . . . . 0.0 109.444 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.9 m -71.45 -44.33 65.01 Favored 'General case' 1 C--N 1.483 6.404 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.707 171.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.541 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 7.5 t -49.98 -56.84 2.83 Favored 'Isoleucine or valine' 1 C--N 1.496 6.944 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.014 171.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -49.37 -43.64 44.23 Favored 'General case' 1 C--N 1.476 6.098 0 CA-C-O 123.489 1.614 . . . . 0.0 109.791 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.43 55.58 3.61 Favored 'General case' 1 C--N 1.486 6.514 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.198 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -35.96 0.23 Allowed 'General case' 1 C--N 1.479 6.214 0 O-C-N 121.468 -0.77 . . . . 0.0 111.37 171.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -39.64 103.3 0.28 Allowed Pre-proline 1 C--N 1.479 6.197 0 CA-C-O 121.759 0.79 . . . . 0.0 110.212 171.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -23.19 69.81 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.268 1 C-N-CA 127.967 5.778 . . . . 0.0 117.736 -178.454 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -89.2 -74.69 0.46 Allowed 'General case' 1 C--N 1.482 6.338 0 CA-C-O 122.277 1.037 . . . . 0.0 110.961 171.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.67 35.15 2.0 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 121.652 0.739 . . . . 0.0 111.209 -172.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -41.75 83.2 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.815 0.817 . . . . 0.0 110.822 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -16.44 64.13 Favored Glycine 1 C--N 1.479 8.505 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.74 13.46 26.45 Favored 'General case' 1 C--N 1.482 6.335 0 O-C-N 121.314 -1.11 . . . . 0.0 112.181 -171.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -169.11 158.94 8.77 Favored 'General case' 1 C--N 1.48 6.241 0 CA-C-O 123.064 1.412 . . . . 0.0 113.139 175.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.649 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 1.4 m -136.5 153.57 31.07 Favored 'Isoleucine or valine' 1 C--N 1.486 6.543 0 O-C-N 120.902 -1.124 . . . . 0.0 109.7 -172.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -135.72 142.33 45.03 Favored 'General case' 1 C--N 1.477 6.115 0 O-C-N 121.059 -1.025 . . . . 0.0 110.083 -172.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' CB ' ' CE2' ' A' ' 66' ' ' PHE . . . -122.14 107.14 11.83 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.378 -0.826 . . . . 0.0 111.3 -175.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 ' CG2' ' ND2' ' A' ' 51' ' ' ASN . 3.3 p -84.1 106.62 14.6 Favored 'Isoleucine or valine' 1 C--N 1.479 6.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.061 171.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -80.39 10.28 4.81 Favored 'General case' 1 C--N 1.48 6.243 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -91.14 -33.24 15.52 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 120.95 -1.094 . . . . 0.0 110.759 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -102.92 2.68 35.52 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 171.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.78 45.62 93.26 Favored Glycine 1 C--N 1.48 8.569 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 174.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.5 pt -132.6 142.7 41.82 Favored 'Isoleucine or valine' 1 C--N 1.481 6.321 0 CA-C-O 122.156 0.979 . . . . 0.0 112.3 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 7.1 p90 -116.99 129.85 56.3 Favored 'General case' 1 C--N 1.479 6.209 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.1 t -146.15 159.68 42.97 Favored 'General case' 1 C--N 1.475 6.045 0 O-C-N 120.944 -1.097 . . . . 0.0 111.682 -171.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -74.82 114.48 34.98 Favored Pre-proline 1 C--N 1.477 6.139 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 168.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -20.36 79.58 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.091 1 C-N-CA 127.013 5.142 . . . . 0.0 116.406 -177.613 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.19 14.47 0.0 OUTLIER 'General case' 1 C--N 1.489 6.663 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 174.408 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.9 m -44.27 138.41 3.08 Favored 'General case' 1 C--N 1.478 6.152 0 CA-C-N 122.411 2.369 . . . . 0.0 110.413 171.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -95.53 -3.07 47.24 Favored 'General case' 1 C--N 1.479 6.216 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.72 -178.93 3.87 Favored 'General case' 1 C--N 1.477 6.144 0 CA-C-O 122.946 1.355 . . . . 0.0 109.728 170.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 94.07 0.01 OUTLIER 'General case' 1 C--N 1.489 6.671 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.618 172.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -23.69 112.16 0.03 OUTLIER 'General case' 1 C--N 1.477 6.149 0 C-N-CA 124.365 1.066 . . . . 0.0 113.753 -170.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.05 156.65 0.02 OUTLIER 'General case' 1 C--N 1.482 6.339 0 CA-C-O 121.863 0.84 . . . . 0.0 111.043 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.12 129.48 34.49 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.48 0.657 . . . . 0.0 111.096 -174.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -62.97 -15.16 55.02 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.734 0.778 . . . . 0.0 111.602 171.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 0.62 54.76 Favored 'General case' 1 C--N 1.48 6.273 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' ND2' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.26 21.37 2.98 Favored 'General case' 1 C--N 1.47 5.805 0 CA-C-O 125.275 2.464 . . . . 0.0 107.327 171.018 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.48 145.29 11.27 Favored 'Isoleucine or valine' 1 C--N 1.497 7.013 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.327 -164.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 176.63 5.08 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 120.33 -1.481 . . . . 0.0 110.901 175.352 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.11 148.87 42.33 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 123.384 1.564 . . . . 0.0 113.111 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.649 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -146.93 161.46 40.7 Favored 'General case' 1 C--N 1.482 6.331 0 C-N-CA 124.728 1.211 . . . . 0.0 109.844 -178.742 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.0 54.08 Favored 'General case' 1 C--N 1.48 6.276 0 O-C-N 119.105 -2.247 . . . . 0.0 113.136 172.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -160.96 162.6 31.98 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.008 -1.057 . . . . 0.0 112.063 178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.17 -21.76 2.19 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-O 121.706 0.765 . . . . 0.0 111.179 175.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -51.62 -56.02 15.95 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.141 0.972 . . . . 0.0 110.984 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -74.82 -41.79 59.26 Favored 'General case' 1 C--N 1.482 6.333 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.263 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.82 62.29 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 120.812 -1.18 . . . . 0.0 113.573 171.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -81.43 -52.65 7.03 Favored 'General case' 1 C--N 1.477 6.135 0 O-C-N 120.633 -1.292 . . . . 0.0 110.57 173.364 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.49 -19.63 3.91 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.534 0.683 . . . . 0.0 110.776 171.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -68.01 -43.77 78.09 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.143 1.449 . . . . 0.0 108.115 171.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 109.74 36.72 1.99 Allowed Glycine 1 C--N 1.486 8.88 0 CA-C-N 113.834 -1.53 . . . . 0.0 109.394 171.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.469 ' CE2' ' C ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -105.45 -174.09 2.45 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.709 -0.746 . . . . 0.0 112.472 -171.01 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -94.79 118.39 66.78 Favored Pre-proline 1 C--N 1.479 6.203 0 O-C-N 121.134 -0.979 . . . . 0.0 111.232 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -65.84 91.43 0.25 Allowed 'Trans proline' 1 C--N 1.486 7.791 1 C-N-CA 127.771 5.647 . . . . 0.0 119.828 -177.882 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.4 t -103.31 93.92 5.23 Favored 'General case' 1 C--N 1.479 6.239 0 CA-C-O 125.011 2.338 . . . . 0.0 110.215 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -122.14 31.41 6.19 Favored 'General case' 1 C--N 1.5 7.123 0 CA-C-O 123.011 1.386 . . . . 0.0 111.371 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER 179.49 47.22 0.0 OUTLIER 'General case' 1 C--N 1.482 6.362 0 CA-C-O 121.927 0.87 . . . . 0.0 109.419 -176.561 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.397 85.9 m 7.74 54.28 0.0 OUTLIER 'General case' 1 C--N 1.477 6.14 1 CA-C-O 131.719 5.533 . . . . 0.0 107.227 -167.29 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -41.19 91.56 0.05 OUTLIER Pre-proline 1 C--N 1.53 8.42 0 CA-C-N 109.104 -3.68 . . . . 0.0 116.41 177.684 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -97.85 12.95 0.84 Allowed 'Trans proline' 1 C--N 1.479 7.402 1 C-N-CA 128.014 5.809 . . . . 0.0 115.613 177.98 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.62 46.04 1.0 Allowed 'General case' 1 C--N 1.48 6.24 0 O-C-N 120.737 -1.227 . . . . 0.0 112.707 -170.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -32.3 20.71 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.269 -0.894 . . . . 0.0 110.555 171.591 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -21.6 -49.07 0.01 OUTLIER 'General case' 1 C--N 1.477 6.15 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 71.92 56.99 0.39 Allowed Pre-proline 1 C--N 1.481 6.321 0 CA-C-O 122.597 1.189 . . . . 0.0 110.725 -174.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.86 -89.36 0.0 OUTLIER 'Trans proline' 1 C--N 1.48 7.455 1 C-N-CA 126.347 4.698 . . . . 0.0 114.843 -179.88 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -172.92 -41.16 0.01 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.736 0.779 . . . . 0.0 111.066 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -46.16 119.02 2.12 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.696 0.76 . . . . 0.0 111.126 -172.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 69.54 0.01 OUTLIER 'General case' 1 C--N 1.479 6.21 0 CA-C-O 122.644 1.212 . . . . 0.0 110.715 173.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -91.12 148.96 22.01 Favored 'General case' 1 C--N 1.482 6.365 0 CA-C-O 121.8 0.81 . . . . 0.0 111.222 -173.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.74 4.33 44.61 Favored 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.781 -0.574 . . . . 0.0 111.575 172.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -165.94 93.58 0.54 Allowed 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.842 0.829 . . . . 0.0 111.113 -172.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -174.76 -40.07 0.01 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.748 0.785 . . . . 0.0 111.155 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 30.99 0.46 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-O 121.856 0.836 . . . . 0.0 110.911 -173.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 p -120.54 167.07 12.77 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.747 0.784 . . . . 0.0 111.059 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.21 98.11 7.44 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.758 0.789 . . . . 0.0 111.005 172.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.74 -152.94 0.37 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.747 0.784 . . . . 0.0 110.999 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.22 133.62 38.83 Favored 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.824 0.821 . . . . 0.0 110.961 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 . . . . . 1 C--N 1.479 6.23 0 CA-C-O 122.006 0.907 . . . . 0.0 111.006 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.643 0 CA-C-O 121.533 0.682 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -153.93 42.52 0.54 Allowed 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.727 0.775 . . . . 0.0 111.039 -172.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -113.18 -170.03 1.6 Allowed 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.776 0.798 . . . . 0.0 110.992 174.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.03 9.36 17.36 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.433 0.635 . . . . 0.0 111.553 -172.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -129.03 -42.78 1.36 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.729 0.776 . . . . 0.0 111.02 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -86.03 106.01 16.88 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.8 0.81 . . . . 0.0 111.003 173.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.66 -100.27 0.02 OUTLIER 'General case' 1 C--N 1.48 6.265 0 CA-C-O 121.46 0.648 . . . . 0.0 110.96 -175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.12 -172.36 4.22 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.941 0.877 . . . . 0.0 111.86 -174.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -22.51 32.92 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 121.772 0.796 . . . . 0.0 111.013 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.39 -41.9 96.42 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.536 0.684 . . . . 0.0 110.985 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -46.46 68.28 Favored 'General case' 1 C--N 1.48 6.244 0 CA-C-O 122.547 1.165 . . . . 0.0 111.111 -178.291 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.28 0.19 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 125.195 2.426 . . . . 0.0 112.59 174.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.541 ' CB ' ' CZ ' ' A' ' 54' ' ' PHE . 44.6 t-105 -75.58 -17.52 60.01 Favored 'General case' 1 C--N 1.491 6.732 0 O-C-N 120.432 -1.418 . . . . 0.0 110.686 -170.363 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -65.56 -32.76 74.53 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.473 1.13 . . . . 0.0 108.911 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -40.05 72.66 Favored 'General case' 1 C--N 1.483 6.379 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.194 170.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t -64.95 -57.91 9.24 Favored 'Isoleucine or valine' 1 C--N 1.499 7.085 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.254 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.79 -50.88 59.86 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 119.279 -2.138 . . . . 0.0 112.315 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 1.26 27.36 Favored 'General case' 1 C--N 1.487 6.577 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -168.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 0.96 63.01 0.0 OUTLIER 'General case' 1 C--N 1.476 6.099 0 C-N-CA 125.387 1.475 . . . . 0.0 114.476 -170.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 22.4 t0 -84.95 -47.26 0.64 Allowed Pre-proline 1 C--N 1.478 6.16 0 CA-C-O 122.456 1.122 . . . . 0.0 109.418 170.341 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 20' ' ' ASP . 11.4 Cg_endo -93.71 -173.94 0.38 Allowed 'Trans proline' 2 C--N 1.477 7.304 1 C-N-CA 126.856 5.037 . . . . 0.0 113.065 178.045 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -89.25 -74.01 0.49 Allowed 'General case' 1 C--N 1.476 6.079 0 CA-C-O 123.472 1.606 . . . . 0.0 109.702 171.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' CB ' ' CD ' ' A' ' 39' ' ' ARG . . . -152.0 89.4 1.45 Allowed 'General case' 1 C--N 1.481 6.314 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.344 170.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -38.8 114.23 0.37 Allowed 'General case' 1 C--N 1.478 6.173 0 CA-C-O 123.776 1.75 . . . . 0.0 111.416 -171.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.25 -84.1 1.0 Allowed Glycine 1 C--N 1.478 8.429 0 N-CA-C 104.797 -3.321 . . . . 0.0 104.797 170.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.26 21.57 0.1 Allowed 'General case' 1 C--N 1.474 5.994 0 CA-C-N 114.054 -1.073 . . . . 0.0 110.626 166.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.03 172.91 0.24 Allowed 'General case' 1 C--N 1.487 6.556 0 CA-C-O 122.136 0.97 . . . . 0.0 112.782 -170.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -150.84 159.54 4.42 Favored 'Isoleucine or valine' 1 C--N 1.48 6.279 0 O-C-N 121.316 -0.865 . . . . 0.0 111.096 -169.006 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -138.83 132.13 30.05 Favored 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 178.822 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.45 107.98 14.47 Favored 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.836 0.827 . . . . 0.0 111.563 -172.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 7.3 p -95.28 96.78 6.08 Favored 'Isoleucine or valine' 1 C--N 1.478 6.196 0 O-C-N 121.913 -0.492 . . . . 0.0 110.407 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -86.15 79.34 9.15 Favored 'General case' 1 C--N 1.48 6.277 0 O-C-N 121.273 -0.892 . . . . 0.0 112.29 -171.413 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.52 -54.21 0.61 Allowed 'General case' 1 C--N 1.478 6.165 0 CA-C-O 121.9 0.857 . . . . 0.0 110.574 173.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.91 3.1 49.74 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 171.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.38 51.14 6.85 Favored Glycine 1 C--N 1.479 8.504 0 O-C-N 121.364 -0.835 . . . . 0.0 111.566 172.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -131.85 132.67 61.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.238 0 O-C-N 121.458 -1.025 . . . . 0.0 110.913 171.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 2.1 p90 -119.96 146.43 45.84 Favored 'General case' 1 C--N 1.477 6.135 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t -156.74 157.92 35.97 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -168.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -77.33 105.01 2.08 Favored Pre-proline 1 C--N 1.475 6.052 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 166.745 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.36 83.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.023 1 C-N-CA 127.391 5.394 . . . . 0.0 118.17 -176.633 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 26.06 0.0 OUTLIER 'General case' 1 C--N 1.489 6.647 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 172.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.04 118.92 6.87 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-N 122.417 2.371 . . . . 0.0 109.209 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -34.02 57.58 Favored 'General case' 1 C--N 1.479 6.224 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -168.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -170.88 0.01 OUTLIER 'General case' 1 C--N 1.479 6.205 0 O-C-N 120.567 -1.333 . . . . 0.0 109.34 170.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.6 87.49 0.01 OUTLIER 'General case' 1 C--N 1.488 6.601 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.686 171.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -68.29 155.05 40.54 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.58 1.181 . . . . 0.0 113.288 -170.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -49.58 147.52 3.43 Favored 'General case' 1 C--N 1.485 6.477 0 CA-C-O 121.795 0.807 . . . . 0.0 111.006 -172.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 159.07 27.47 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.736 0.779 . . . . 0.0 110.627 172.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.05 13.16 9.77 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.337 0.589 . . . . 0.0 110.872 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.88 -25.52 23.22 Favored 'General case' 1 C--N 1.479 6.232 0 O-C-N 121.653 -0.655 . . . . 0.0 112.467 -171.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.403 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.28 8.6 p-10 -130.39 18.69 5.33 Favored 'General case' 1 C--N 1.468 5.72 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -172.965 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -98.58 145.45 9.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.473 -163.415 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -116.68 -177.52 3.21 Favored 'General case' 1 C--N 1.477 6.138 0 O-C-N 120.235 -1.54 . . . . 0.0 110.881 173.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.541 ' CZ ' ' CB ' ' A' ' 13' ' ' TRP . 33.6 m-85 -150.46 133.03 15.74 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.152 -0.968 . . . . 0.0 112.188 -176.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.532 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -135.37 154.33 51.53 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 121.714 -0.616 . . . . 0.0 110.261 -179.67 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -17.62 61.4 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.419 -1.425 . . . . 0.0 111.918 -175.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.19 166.6 29.37 Favored 'General case' 1 C--N 1.481 6.319 0 CA-C-O 122.837 1.303 . . . . 0.0 112.296 171.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.81 -54.46 9.79 Favored 'General case' 1 C--N 1.483 6.371 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t -48.52 -19.45 0.33 Allowed 'General case' 1 C--N 1.479 6.227 0 O-C-N 121.067 -1.021 . . . . 0.0 112.862 -170.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.532 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -77.59 -69.04 0.56 Allowed 'General case' 1 C--N 1.477 6.144 0 O-C-N 121.054 -1.028 . . . . 0.0 111.166 171.975 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.554 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . . . -50.25 -15.72 0.26 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -86.88 -44.36 11.74 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 174.804 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -30.36 25.7 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.801 0.81 . . . . 0.0 110.644 171.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.23 89.12 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.875 1.322 . . . . 0.0 108.746 171.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 100.33 46.2 1.88 Allowed Glycine 1 C--N 1.485 8.846 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 171.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.592 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -110.15 -178.14 3.44 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-N 115.089 -0.555 . . . . 0.0 112.15 -171.113 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 98.43 3.57 Favored Pre-proline 1 C--N 1.478 6.185 0 O-C-N 120.936 -1.103 . . . . 0.0 111.242 -171.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 54.9 Cg_endo -73.13 103.82 1.67 Allowed 'Trans proline' 1 C--N 1.483 7.624 1 C-N-CA 127.066 5.177 . . . . 0.0 121.415 -177.83 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . 0.26 28.2 p -104.39 93.68 4.93 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 124.191 1.948 . . . . 0.0 108.877 166.241 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -65.59 -47.5 75.51 Favored 'General case' 1 C--N 1.496 6.962 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.652 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -79.41 0.13 Allowed 'General case' 1 C--N 1.477 6.137 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 168.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.89 50.98 0.0 OUTLIER 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.294 1.045 . . . . 0.0 111.009 169.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 103.92 0.31 Allowed Pre-proline 1 C--N 1.474 5.997 0 CA-C-O 121.998 0.904 . . . . 0.0 113.058 -177.321 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -94.32 138.98 1.17 Allowed 'Trans proline' 1 C--N 1.478 7.377 1 C-N-CA 127.422 5.415 . . . . 0.0 114.591 179.15 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t0 163.42 84.23 0.0 OUTLIER 'General case' 1 C--N 1.48 6.269 0 O-C-N 121.293 -0.879 . . . . 0.0 111.455 171.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.87 -94.65 0.49 Allowed 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.985 -0.447 . . . . 0.0 110.107 171.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -29.76 113.5 0.09 Allowed 'General case' 1 C--N 1.475 6.04 0 O-C-N 121.701 -0.624 . . . . 0.0 111.436 170.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -40.23 102.0 0.25 Allowed Pre-proline 1 C--N 1.478 6.177 0 CA-C-O 122.05 0.929 . . . . 0.0 111.843 -171.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -64.62 -36.1 43.96 Favored 'Trans proline' 1 C--N 1.479 7.397 1 C-N-CA 126.298 4.665 . . . . 0.0 114.797 -179.331 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.6 mtm105 -47.61 153.52 0.56 Allowed 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.727 0.775 . . . . 0.0 110.944 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 76.6 153.5 0.14 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.742 0.782 . . . . 0.0 111.0 176.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -90.9 131.82 36.3 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.769 0.795 . . . . 0.0 110.973 -174.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -77.38 139.78 39.79 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.772 0.796 . . . . 0.0 111.003 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.96 108.7 20.99 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.826 0.822 . . . . 0.0 111.012 174.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -169.38 166.49 10.37 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.763 0.792 . . . . 0.0 111.041 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.19 85.15 2.44 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.698 0.761 . . . . 0.0 110.982 -176.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 tp -109.05 142.13 22.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.182 0 CA-C-O 121.805 0.812 . . . . 0.0 110.957 173.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 m -107.3 98.84 8.43 Favored 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.77 0.795 . . . . 0.0 110.958 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -126.99 -37.21 2.12 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.732 0.777 . . . . 0.0 110.983 -177.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 51.62 -148.42 0.38 Allowed 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.75 0.786 . . . . 0.0 110.953 173.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.54 -40.96 20.24 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.769 0.795 . . . . 0.0 110.958 -178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 . . . . . 1 C--N 1.479 6.199 0 CA-C-O 122.013 0.911 . . . . 0.0 110.989 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.432 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 121.778 0.799 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 144.31 24.9 Favored 'General case' 1 C--N 1.48 6.241 0 CA-C-O 121.808 0.813 . . . . 0.0 110.953 177.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt 46.22 47.25 13.4 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.807 0.813 . . . . 0.0 110.961 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.58 -157.24 0.05 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.568 0.699 . . . . 0.0 110.976 -172.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m 92.81 -54.51 0.01 OUTLIER 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.471 0.653 . . . . 0.0 111.389 173.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.93 179.71 6.96 Favored 'General case' 1 C--N 1.478 6.177 0 CA-C-O 122.089 0.947 . . . . 0.0 111.36 -172.131 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.24 113.15 22.02 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.367 1.079 . . . . 0.0 110.672 -178.05 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -76.08 148.04 38.21 Favored 'General case' 1 C--N 1.482 6.366 0 CA-C-O 122.008 0.908 . . . . 0.0 111.263 -172.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -15.87 6.76 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.913 177.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -50.23 41.88 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.793 0.806 . . . . 0.0 110.929 174.598 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -47.94 75.16 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 123.039 1.399 . . . . 0.0 110.521 177.291 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -42.08 -71.27 0.08 Allowed 'General case' 1 C--N 1.48 6.245 0 CA-C-O 124.491 2.091 . . . . 0.0 113.697 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.9 t-105 -78.52 -27.3 46.0 Favored 'General case' 1 C--N 1.485 6.478 0 O-C-N 120.275 -1.516 . . . . 0.0 111.615 -169.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -57.63 -26.06 61.04 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 122.544 1.164 . . . . 0.0 109.041 170.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -67.77 -41.88 82.58 Favored 'General case' 1 C--N 1.485 6.481 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.143 172.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.255 2.5 t -59.49 -57.53 11.13 Favored 'Isoleucine or valine' 1 C--N 1.494 6.863 0 CA-C-O 121.964 0.888 . . . . 0.0 112.493 171.694 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.09 -36.06 12.49 Favored 'General case' 1 C--N 1.476 6.096 0 O-C-N 119.291 -2.131 . . . . 0.0 109.867 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.2 57.95 4.51 Favored 'General case' 1 C--N 1.488 6.619 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.693 172.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -31.17 -29.82 0.01 OUTLIER 'General case' 1 C--N 1.479 6.225 0 C-N-CA 123.87 0.868 . . . . 0.0 112.514 171.072 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -39.19 141.12 0.67 Allowed Pre-proline 1 C--N 1.478 6.172 0 O-C-N 121.145 -0.972 . . . . 0.0 110.907 175.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -80.82 42.63 1.38 Allowed 'Trans proline' 1 C--N 1.478 7.394 1 C-N-CA 126.737 4.958 . . . . 0.0 115.336 -178.919 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -84.07 -53.29 5.65 Favored 'General case' 1 C--N 1.482 6.352 0 O-C-N 121.219 -0.926 . . . . 0.0 110.93 171.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -118.99 11.63 12.55 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-O 121.483 0.659 . . . . 0.0 111.389 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.22 -64.89 0.78 Allowed 'General case' 1 C--N 1.479 6.216 0 CA-C-O 122.423 1.106 . . . . 0.0 110.898 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.76 12.91 39.13 Favored Glycine 1 C--N 1.481 8.631 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -173.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -92.42 -5.98 50.91 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 121.538 -0.977 . . . . 0.0 111.387 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -169.44 152.62 4.88 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.566 -0.709 . . . . 0.0 111.967 -174.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.49 168.46 2.95 Favored 'Isoleucine or valine' 1 C--N 1.481 6.309 0 O-C-N 120.407 -1.433 . . . . 0.0 110.831 -177.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.533 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -140.17 134.69 31.55 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.777 -0.577 . . . . 0.0 110.282 175.913 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -124.18 90.76 3.32 Favored 'General case' 1 C--N 1.478 6.195 0 O-C-N 121.309 -0.869 . . . . 0.0 111.287 -171.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.73 99.87 1.54 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.179 0 CA-C-O 121.548 0.69 . . . . 0.0 110.155 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 10.2 ttm180 -85.87 37.42 0.71 Allowed 'General case' 1 C--N 1.481 6.321 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.3 m -114.32 -38.08 4.19 Favored 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.216 -0.927 . . . . 0.0 110.496 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -97.53 4.14 50.46 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 171.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.65 47.69 87.23 Favored Glycine 1 C--N 1.481 8.589 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 172.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -134.03 136.22 53.86 Favored 'Isoleucine or valine' 1 C--N 1.481 6.325 0 CA-C-O 122.371 1.082 . . . . 0.0 112.141 177.426 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 2.2 p90 -119.59 125.1 47.97 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.367 172.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.07 161.06 42.18 Favored 'General case' 1 C--N 1.476 6.108 0 O-C-N 120.515 -1.366 . . . . 0.0 111.209 -170.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 119.54 77.46 Favored Pre-proline 1 C--N 1.477 6.146 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 170.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -21.26 91.93 0.0 OUTLIER 'Trans proline' 2 C--N 1.475 7.207 1 C-N-CA 127.248 5.299 . . . . 0.0 116.166 -178.216 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -174.53 -21.03 0.01 OUTLIER 'General case' 1 C--N 1.489 6.639 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -36.1 102.42 0.02 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-N 121.057 1.753 . . . . 0.0 112.703 -171.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -78.36 -0.94 31.0 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.586 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.59 -173.59 0.01 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.941 1.353 . . . . 0.0 110.32 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.9 -27.92 0.02 OUTLIER 'General case' 1 C--N 1.489 6.657 0 CA-C-N 114.084 -1.416 . . . . 0.0 110.457 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 59.19 92.36 0.04 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.45 1.119 . . . . 0.0 110.786 171.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 178.47 0.24 Allowed 'General case' 1 C--N 1.483 6.382 0 CA-C-O 121.936 0.874 . . . . 0.0 110.929 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -82.2 166.28 19.74 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.714 0.769 . . . . 0.0 110.761 -173.527 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.14 11.04 8.73 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.302 0.572 . . . . 0.0 111.499 174.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.19 -13.86 42.76 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.5 -0.75 . . . . 0.0 112.926 -171.028 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.273 7.9 p-10 -131.48 15.75 4.95 Favored 'General case' 1 C--N 1.468 5.743 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -174.636 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -96.9 132.33 41.6 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 -162.54 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' ALA . 43.9 t -113.62 127.86 56.22 Favored 'General case' 1 C--N 1.478 6.19 0 O-C-N 120.559 -1.338 . . . . 0.0 110.818 -173.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -101.49 138.9 37.89 Favored 'General case' 1 C--N 1.481 6.283 0 CA-C-O 122.954 1.359 . . . . 0.0 112.433 -171.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.571 ' CE2' ' CB ' ' A' ' 61' ' ' ALA . 3.0 m-85 -125.85 165.17 19.18 Favored 'General case' 1 C--N 1.479 6.211 0 C-N-CA 124.705 1.202 . . . . 0.0 110.47 174.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.26 43.65 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 119.127 -2.233 . . . . 0.0 112.566 170.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -148.19 157.75 43.68 Favored 'General case' 1 C--N 1.48 6.278 0 O-C-N 120.798 -1.189 . . . . 0.0 111.834 173.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.38 0.02 7.35 Favored 'General case' 1 C--N 1.482 6.34 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.833 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -59.32 -51.15 71.18 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 122.051 0.929 . . . . 0.0 110.796 172.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' ALA . 3.6 pt-20 -72.06 -36.04 69.47 Favored 'General case' 1 C--N 1.482 6.352 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 176.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -59.74 -41.24 90.51 Favored 'General case' 1 C--N 1.479 6.214 0 O-C-N 120.611 -1.306 . . . . 0.0 113.69 172.277 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -73.67 -51.77 15.56 Favored 'General case' 1 C--N 1.477 6.148 0 O-C-N 121.156 -0.965 . . . . 0.0 110.2 177.839 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.16 -22.13 6.01 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.678 0.752 . . . . 0.0 110.983 171.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -67.27 -39.41 86.06 Favored 'General case' 1 C--N 1.481 6.29 0 CA-C-O 122.814 1.292 . . . . 0.0 109.162 172.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.43 29.32 4.52 Favored Glycine 1 C--N 1.485 8.834 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 173.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -101.98 -173.98 2.47 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-N 114.618 -0.791 . . . . 0.0 111.871 -171.775 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 98.83 3.54 Favored Pre-proline 1 C--N 1.479 6.239 0 O-C-N 120.343 -1.473 . . . . 0.0 112.195 -171.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.519 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 71.3 Cg_exo -56.76 109.41 0.44 Allowed 'Trans proline' 1 C--N 1.482 7.603 1 C-N-CA 127.675 5.583 . . . . 0.0 118.859 -178.625 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.78 115.52 24.63 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.463 1.601 . . . . 0.0 110.601 168.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -119.78 25.24 10.11 Favored 'General case' 1 C--N 1.489 6.633 0 CA-C-O 122.51 1.148 . . . . 0.0 110.112 170.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' GLN . 15.9 ttm180 -174.52 46.02 0.01 OUTLIER 'General case' 1 C--N 1.481 6.322 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.842 -172.031 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.265 95.5 m 6.77 56.23 0.0 OUTLIER 'General case' 1 C--N 1.482 6.356 1 CA-C-O 131.109 5.242 . . . . 0.0 107.359 -170.255 . . . . . . . . 4 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ARG . 1.5 tm0? -40.55 -54.0 5.28 Favored Pre-proline 1 C--N 1.524 8.191 0 CA-C-N 109.24 -3.618 . . . . 0.0 116.488 173.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -28.32 85.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.119 1 C-N-CA 126.485 4.79 . . . . 0.0 115.641 -178.459 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.15 70.92 1.05 Allowed 'General case' 1 C--N 1.483 6.38 0 CA-C-O 121.699 0.761 . . . . 0.0 111.063 -178.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -94.3 -18.58 21.49 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.401 -0.812 . . . . 0.0 111.265 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.54 -71.31 0.02 OUTLIER 'General case' 1 C--N 1.477 6.128 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.54 74.62 0.04 OUTLIER Pre-proline 1 C--N 1.48 6.264 0 CA-C-O 122.35 1.072 . . . . 0.0 111.1 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -68.84 167.5 22.98 Favored 'Trans proline' 1 C--N 1.48 7.448 1 C-N-CA 126.337 4.691 . . . . 0.0 114.656 179.201 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 61.49 75.15 0.42 Allowed 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.783 0.802 . . . . 0.0 110.952 174.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.08 -68.64 0.18 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.746 0.784 . . . . 0.0 110.981 178.26 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.48 -153.24 0.02 OUTLIER 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.771 0.796 . . . . 0.0 110.958 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -68.39 114.77 7.12 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.694 0.759 . . . . 0.0 110.95 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.38 28.01 2.52 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.866 0.841 . . . . 0.0 110.981 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 t0 65.67 91.47 0.08 Allowed 'General case' 1 C--N 1.481 6.324 0 CA-C-O 121.787 0.803 . . . . 0.0 110.972 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.62 -79.58 0.22 Allowed 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.761 0.791 . . . . 0.0 110.927 177.166 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.42 179.75 3.62 Favored 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.868 0.842 . . . . 0.0 111.061 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -132.61 36.06 3.57 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.811 0.815 . . . . 0.0 110.995 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.87 -173.43 3.03 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.822 0.82 . . . . 0.0 110.867 177.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.98 177.63 0.43 Allowed 'General case' 1 C--N 1.48 6.244 0 CA-C-O 121.927 0.87 . . . . 0.0 110.957 177.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -134.93 79.82 1.81 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.768 0.794 . . . . 0.0 111.009 -175.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 1 C--N 1.479 6.222 0 CA-C-O 122.034 0.921 . . . . 0.0 111.015 -173.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 2.8 ttp . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.851 0.834 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.03 -178.59 0.22 Allowed 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -129.76 98.51 4.83 Favored 'General case' 1 C--N 1.48 6.27 0 CA-C-O 121.825 0.821 . . . . 0.0 111.001 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.16 -36.42 61.51 Favored 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.658 0.742 . . . . 0.0 110.983 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 81.84 -14.65 0.77 Allowed 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.182 0.515 . . . . 0.0 111.516 -177.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.0 m -80.88 11.83 3.69 Favored 'General case' 1 C--N 1.478 6.185 0 O-C-N 121.461 -0.774 . . . . 0.0 111.605 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.22 66.31 9.49 Favored 'General case' 1 C--N 1.479 6.237 0 O-C-N 121.342 -0.848 . . . . 0.0 110.857 172.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.24 134.47 36.23 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.786 0.803 . . . . 0.0 110.938 -175.207 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -25.11 66.8 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.859 0.838 . . . . 0.0 110.879 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.22 -46.01 18.71 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.973 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -43.74 58.76 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 122.476 1.131 . . . . 0.0 110.795 -177.124 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -40.54 -70.75 0.1 Allowed 'General case' 1 C--N 1.481 6.289 0 CA-C-O 124.974 2.321 . . . . 0.0 111.801 172.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CZ3' ' CG1' ' A' ' 16' ' ' VAL . 26.3 t-105 -72.23 -28.23 63.03 Favored 'General case' 1 C--N 1.489 6.672 0 O-C-N 120.471 -1.393 . . . . 0.0 111.34 -170.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.32 -35.56 62.81 Favored 'General case' 1 C--N 1.483 6.406 0 CA-C-O 122.209 1.004 . . . . 0.0 109.299 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -57.96 -41.25 82.5 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.442 171.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 3.5 t -59.54 -49.74 82.54 Favored 'Isoleucine or valine' 1 C--N 1.492 6.799 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 172.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mt -50.23 -53.77 25.84 Favored 'General case' 1 C--N 1.474 6.001 0 CA-C-O 123.827 1.775 . . . . 0.0 109.704 178.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -89.53 18.04 5.76 Favored 'General case' 1 C--N 1.486 6.533 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.724 -171.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 3.62 49.18 0.0 OUTLIER 'General case' 1 C--N 1.476 6.085 0 C-N-CA 126.895 2.078 . . . . 0.0 115.329 -166.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ALA . 5.1 t70 -89.83 128.6 49.61 Favored Pre-proline 1 C--N 1.485 6.473 0 O-C-N 120.672 -1.267 . . . . 0.0 111.457 171.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -83.97 34.59 0.53 Allowed 'Trans proline' 2 C--N 1.475 7.205 1 C-N-CA 125.892 4.395 . . . . 0.0 113.766 178.003 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.99 -51.26 5.7 Favored 'General case' 1 C--N 1.485 6.459 0 CA-C-O 122.487 1.137 . . . . 0.0 110.75 -171.161 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.73 -77.17 0.15 Allowed 'General case' 1 C--N 1.483 6.383 0 CA-C-O 122.235 1.017 . . . . 0.0 110.458 -173.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' CB ' ' CG ' ' A' ' 27' ' ' PHE . 1.2 m-20 -86.71 99.89 12.09 Favored 'General case' 1 C--N 1.479 6.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.023 -171.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -24.49 -55.18 0.05 OUTLIER Glycine 1 C--N 1.478 8.447 0 C-N-CA 124.132 0.872 . . . . 0.0 114.333 -171.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -157.49 41.87 0.31 Allowed 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.571 -0.959 . . . . 0.0 110.987 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.43 ' CG ' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -63.5 154.07 33.55 Favored 'General case' 1 C--N 1.48 6.269 0 O-C-N 121.595 -0.691 . . . . 0.0 111.193 -172.092 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.68 161.58 5.21 Favored 'Isoleucine or valine' 1 C--N 1.482 6.342 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -176.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -140.4 133.56 29.56 Favored 'General case' 1 C--N 1.483 6.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.354 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.6 102.86 7.82 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 121.368 -0.832 . . . . 0.0 110.937 -172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 5.5 p -88.81 100.32 10.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.192 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 174.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 41.7 ttp180 -88.23 59.18 5.12 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.464 0.65 . . . . 0.0 112.352 -173.581 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.33 -45.11 2.35 Favored 'General case' 1 C--N 1.479 6.21 0 O-C-N 120.405 -1.434 . . . . 0.0 110.638 171.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -100.33 -19.07 16.49 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 171.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.9 61.44 1.15 Allowed Glycine 1 C--N 1.48 8.537 0 O-C-N 121.952 -0.468 . . . . 0.0 112.784 172.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.03 133.21 53.5 Favored 'Isoleucine or valine' 1 C--N 1.478 6.189 0 O-C-N 121.16 -1.2 . . . . 0.0 110.714 171.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 1.2 p90 -113.41 115.1 27.55 Favored 'General case' 1 C--N 1.477 6.15 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.1 t -135.01 160.77 37.28 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 120.212 -1.555 . . . . 0.0 111.918 -170.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -75.09 107.84 4.57 Favored Pre-proline 1 C--N 1.475 6.051 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 167.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -17.86 93.04 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.084 1 C-N-CA 126.959 5.106 . . . . 0.0 117.322 -176.738 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 p -168.29 -56.82 0.02 OUTLIER 'General case' 1 C--N 1.49 6.688 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m 0.49 82.8 0.0 OUTLIER 'General case' 1 C--N 1.483 6.411 0 CA-C-O 123.931 1.824 . . . . 0.0 113.871 -168.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 0.36 -81.46 0.0 OUTLIER 'General case' 1 C--N 1.485 6.472 0 C-N-CA 126.53 1.932 . . . . 0.0 115.063 171.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.2 179.62 0.1 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 122.673 1.225 . . . . 0.0 110.892 -170.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.81 91.96 0.01 OUTLIER 'General case' 1 C--N 1.487 6.584 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.518 176.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -161.76 0.04 OUTLIER 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.942 0.877 . . . . 0.0 111.557 -171.39 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -83.71 166.97 17.62 Favored 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.852 0.834 . . . . 0.0 110.847 -172.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.52 157.51 23.52 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 172.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -1.85 27.44 Favored 'General case' 1 C--N 1.482 6.365 0 O-C-N 121.663 -0.648 . . . . 0.0 111.409 175.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -24.92 56.74 Favored 'General case' 1 C--N 1.478 6.188 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -169.147 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.257 5.7 p-10 -131.42 17.75 4.87 Favored 'General case' 1 C--N 1.467 5.71 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -171.915 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.93 150.0 4.93 Favored 'Isoleucine or valine' 1 C--N 1.478 6.184 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.195 -163.226 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.3 t -129.99 127.88 40.91 Favored 'General case' 1 C--N 1.476 6.092 0 CA-C-N 120.953 1.706 . . . . 0.0 111.98 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -103.19 132.71 49.24 Favored 'General case' 1 C--N 1.483 6.386 0 CA-C-O 122.637 1.208 . . . . 0.0 111.907 -172.076 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.34 164.55 18.6 Favored 'General case' 1 C--N 1.478 6.165 0 C-N-CA 124.373 1.069 . . . . 0.0 110.624 172.682 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.55 -28.76 46.08 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 119.521 -1.987 . . . . 0.0 112.545 170.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -145.7 147.2 31.69 Favored 'General case' 1 C--N 1.479 6.205 0 O-C-N 121.062 -1.024 . . . . 0.0 111.669 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.07 -36.01 17.31 Favored 'General case' 1 C--N 1.48 6.267 0 O-C-N 121.744 -0.598 . . . . 0.0 111.85 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -42.55 -46.88 5.04 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.066 0.936 . . . . 0.0 111.621 -171.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' ALA . 1.2 pt-20 -70.67 -39.98 73.24 Favored 'General case' 1 C--N 1.48 6.268 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -32.64 72.17 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 120.78 -1.2 . . . . 0.0 113.798 177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -76.68 -42.42 41.73 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 120.708 -1.245 . . . . 0.0 110.486 171.744 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.83 -26.2 23.14 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.035 0.922 . . . . 0.0 110.413 171.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -67.75 -38.16 83.09 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-O 122.867 1.317 . . . . 0.0 109.234 171.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.47 34.4 3.36 Favored Glycine 1 C--N 1.484 8.796 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 172.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -104.03 -175.01 2.68 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.847 -0.677 . . . . 0.0 112.187 -171.423 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 105.84 26.16 Favored Pre-proline 1 C--N 1.48 6.257 0 CA-C-O 122.3 1.048 . . . . 0.0 112.727 -171.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 59.8 Cg_exo -50.11 114.54 1.45 Allowed 'Trans proline' 1 C--N 1.483 7.652 1 C-N-CA 126.89 5.06 . . . . 0.0 114.908 179.489 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.79 97.68 5.24 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.411 2.053 . . . . 0.0 109.313 171.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -76.45 -92.6 0.03 OUTLIER 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.902 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -69.95 0.15 Allowed 'General case' 1 C--N 1.478 6.154 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 171.024 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.84 67.79 0.01 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 168.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.723 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 6.6 tp-100 -41.07 -99.25 0.0 OUTLIER Pre-proline 1 C--N 1.476 6.102 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -169.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.723 ' CD ' ' CB ' ' A' ' 73' ' ' GLN . 7.4 Cg_exo -74.46 175.42 11.06 Favored 'Trans proline' 1 C--N 1.477 7.302 1 C-N-CA 127.515 5.476 . . . . 0.0 118.13 -176.798 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.75 -68.32 0.41 Allowed 'General case' 1 C--N 1.485 6.49 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.726 171.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -46.32 5.48 Favored 'General case' 1 C--N 1.481 6.316 0 O-C-N 121.64 -0.662 . . . . 0.0 111.522 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.8 71.87 0.01 OUTLIER 'General case' 1 C--N 1.475 6.025 0 CA-C-O 121.59 0.71 . . . . 0.0 112.471 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 50.6 m-80 44.13 48.19 4.14 Favored Pre-proline 1 C--N 1.478 6.182 0 CA-C-O 121.713 0.768 . . . . 0.0 111.366 172.207 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 78' ' ' ASN . 73.5 Cg_exo -54.92 -147.76 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.369 1 C-N-CA 126.814 5.009 . . . . 0.0 114.554 179.257 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 146.52 18.03 Favored 'General case' 1 C--N 1.477 6.138 0 CA-C-O 121.667 0.746 . . . . 0.0 110.549 174.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 177.55 109.51 0.03 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 121.699 0.761 . . . . 0.0 110.722 -171.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -86.59 -87.75 0.13 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.771 0.796 . . . . 0.0 111.018 -177.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.79 150.77 1.73 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.768 0.794 . . . . 0.0 110.929 -173.126 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tp -91.3 139.26 30.9 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.787 0.803 . . . . 0.0 110.996 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -122.13 175.1 6.54 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.079 0.942 . . . . 0.0 111.306 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.84 27.46 6.47 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.802 0.811 . . . . 0.0 111.008 -174.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 tp -153.44 43.0 0.06 OUTLIER 'Isoleucine or valine' 1 C--N 1.479 6.23 0 CA-C-O 121.745 0.783 . . . . 0.0 110.996 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.94 21.84 7.47 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.645 0.736 . . . . 0.0 111.227 -179.224 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -102.26 -141.81 0.35 Allowed 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.447 0.642 . . . . 0.0 110.876 174.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 78.99 -173.1 0.06 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.714 0.768 . . . . 0.0 110.871 173.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.96 -27.04 0.81 Allowed 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.733 0.778 . . . . 0.0 110.909 177.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--N 1.479 6.197 0 CA-C-O 121.99 0.9 . . . . 0.0 111.05 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.797 0.808 . . . . 0.0 110.973 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -125.91 42.58 3.27 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.775 0.798 . . . . 0.0 111.04 -173.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.66 -175.0 5.02 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.789 0.804 . . . . 0.0 111.045 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.77 16.72 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.817 0.818 . . . . 0.0 111.004 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -49.57 153.48 1.14 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.749 0.785 . . . . 0.0 110.932 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.82 -170.57 2.73 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.752 0.786 . . . . 0.0 111.025 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mp -47.73 102.46 0.03 OUTLIER 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.905 0.86 . . . . 0.0 110.949 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.14 135.1 38.53 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-O 121.863 0.839 . . . . 0.0 111.097 -173.235 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -25.51 23.81 Favored 'General case' 1 C--N 1.48 6.279 0 CA-C-O 121.837 0.827 . . . . 0.0 110.804 172.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -49.35 63.25 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.904 0.859 . . . . 0.0 110.885 -176.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -63.12 -44.13 96.47 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.505 1.145 . . . . 0.0 110.722 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.92 -73.4 0.05 OUTLIER 'General case' 1 C--N 1.479 6.206 0 CA-C-O 124.757 2.218 . . . . 0.0 112.736 174.059 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -75.54 -27.53 58.7 Favored 'General case' 1 C--N 1.488 6.598 0 O-C-N 120.354 -1.466 . . . . 0.0 111.338 -169.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.52 -27.16 69.08 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.207 1.003 . . . . 0.0 108.896 170.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -57.52 -36.97 72.25 Favored 'General case' 1 C--N 1.486 6.505 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.396 170.948 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.8 t -73.9 -60.75 2.1 Favored 'Isoleucine or valine' 1 C--N 1.5 7.133 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 171.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -39.06 -42.2 0.87 Allowed 'General case' 1 C--N 1.477 6.118 0 O-C-N 119.286 -2.134 . . . . 0.0 108.92 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.73 -104.68 0.07 Allowed 'General case' 1 C--N 1.485 6.493 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.806 171.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 tpp85 177.57 19.7 0.0 OUTLIER 'General case' 1 C--N 1.486 6.503 0 O-C-N 121.229 -0.919 . . . . 0.0 111.19 -168.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.05 118.37 13.64 Favored Pre-proline 1 C--N 1.477 6.119 0 O-C-N 119.455 -2.028 . . . . 0.0 114.775 -166.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.12 -43.51 47.19 Favored 'Trans proline' 1 C--N 1.48 7.499 1 C-N-CA 126.615 4.877 . . . . 0.0 113.909 178.867 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.48 45.17 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.838 0.828 . . . . 0.0 110.904 -173.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.47 -12.91 60.01 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.139 0.495 . . . . 0.0 111.272 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.43 -95.22 0.03 OUTLIER 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.845 0.831 . . . . 0.0 110.636 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.5 -80.34 1.04 Allowed Glycine 1 C--N 1.474 8.237 0 N-CA-C 104.979 -3.248 . . . . 0.0 104.979 171.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -160.8 21.74 0.14 Allowed 'General case' 1 C--N 1.476 6.087 0 CA-C-N 114.14 -1.03 . . . . 0.0 110.986 168.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -67.85 148.94 50.49 Favored 'General case' 1 C--N 1.482 6.347 0 O-C-N 121.26 -0.9 . . . . 0.0 111.965 -170.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 55' ' ' TYR . 4.2 m -115.12 157.91 15.63 Favored 'Isoleucine or valine' 1 C--N 1.477 6.125 0 O-C-N 120.695 -1.253 . . . . 0.0 109.954 -171.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -137.88 132.52 32.61 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 119.999 -1.688 . . . . 0.0 110.289 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.92 92.66 4.01 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.119 -0.988 . . . . 0.0 111.346 -172.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 7.2 p -76.05 101.77 2.7 Favored 'Isoleucine or valine' 1 C--N 1.479 6.211 0 O-C-N 121.719 -0.613 . . . . 0.0 110.805 173.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 90.9 mtt-85 -87.76 44.56 1.2 Allowed 'General case' 1 C--N 1.478 6.188 0 O-C-N 121.708 -0.62 . . . . 0.0 112.61 -173.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.424 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 1.4 m -108.66 -47.85 3.41 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.783 -1.198 . . . . 0.0 110.518 -179.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.6 m -106.66 -17.65 14.17 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.634 0.731 . . . . 0.0 110.679 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 65.02 0.83 Allowed Glycine 1 C--N 1.48 8.536 0 O-C-N 121.914 -0.491 . . . . 0.0 113.18 171.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.51 125.94 43.45 Favored 'Isoleucine or valine' 1 C--N 1.48 6.259 0 O-C-N 121.081 -1.247 . . . . 0.0 112.529 171.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -100.16 105.14 16.71 Favored 'General case' 1 C--N 1.477 6.11 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.394 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.582 ' CB ' ' CB ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -124.33 152.27 43.32 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 120.001 -1.687 . . . . 0.0 114.708 -167.837 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.93 107.61 5.16 Favored Pre-proline 1 C--N 1.476 6.084 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 167.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -21.04 88.99 0.0 OUTLIER 'Trans proline' 1 C--N 1.473 7.096 1 C-N-CA 127.748 5.632 . . . . 0.0 118.133 -177.448 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.95 17.53 0.0 OUTLIER 'General case' 1 C--N 1.484 6.442 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 171.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.62 103.25 0.06 Allowed 'General case' 1 C--N 1.482 6.348 0 CA-C-N 122.05 2.205 . . . . 0.0 109.675 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.39 -17.29 61.82 Favored 'General case' 1 C--N 1.478 6.155 0 C-N-CA 123.237 0.615 . . . . 0.0 112.634 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.77 -175.57 5.64 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 122.395 1.093 . . . . 0.0 110.087 171.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -53.33 89.41 0.01 OUTLIER 'General case' 1 C--N 1.486 6.523 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.363 172.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.86 -163.91 0.79 Allowed 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.027 0.918 . . . . 0.0 111.989 -171.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -102.03 161.03 13.99 Favored 'General case' 1 C--N 1.481 6.296 0 CA-C-O 121.936 0.874 . . . . 0.0 111.289 -172.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.78 159.19 19.81 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.592 0.71 . . . . 0.0 110.827 179.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.18 -5.34 41.26 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.601 0.715 . . . . 0.0 111.686 176.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.65 -24.26 61.01 Favored 'General case' 1 C--N 1.479 6.211 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -168.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.424 ' ND2' ' N ' ' A' ' 33' ' ' THR 0.266 6.9 p-10 -130.36 17.26 5.44 Favored 'General case' 1 C--N 1.467 5.675 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -175.49 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.63 139.04 20.81 Favored 'Isoleucine or valine' 1 C--N 1.479 6.22 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.61 -162.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -100.82 172.68 6.91 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.874 -1.141 . . . . 0.0 110.789 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 55' ' ' TYR . 87.3 m-85 -140.6 138.15 34.19 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-O 122.853 1.311 . . . . 0.0 112.247 177.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.611 ' CD2' ' CG2' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -136.01 163.08 31.11 Favored 'General case' 1 C--N 1.478 6.176 0 C-N-CA 124.426 1.091 . . . . 0.0 110.003 174.299 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.61 56.35 Favored 'General case' 1 C--N 1.48 6.262 0 O-C-N 119.323 -2.111 . . . . 0.0 112.657 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -142.24 150.3 40.75 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.002 0.906 . . . . 0.0 111.62 -176.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -19.18 65.72 Favored 'General case' 1 C--N 1.482 6.349 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -31.98 71.95 Favored 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.254 -0.904 . . . . 0.0 110.649 177.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -58.18 5.22 Favored 'General case' 1 C--N 1.481 6.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.213 173.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -51.17 -25.62 5.62 Favored 'General case' 1 C--N 1.481 6.286 0 O-C-N 121.646 -0.659 . . . . 0.0 112.59 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -77.42 -43.91 30.93 Favored 'General case' 1 C--N 1.478 6.172 0 O-C-N 121.21 -0.931 . . . . 0.0 110.837 173.045 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.94 -34.86 13.71 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.571 0.7 . . . . 0.0 111.47 171.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.81 81.19 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.417 1.103 . . . . 0.0 109.82 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 97.86 36.73 4.66 Favored Glycine 1 C--N 1.484 8.772 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 175.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.12 -172.13 2.12 Favored 'General case' 1 C--N 1.48 6.243 0 O-C-N 122.329 -0.512 . . . . 0.0 111.901 -171.877 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -96.2 105.03 19.4 Favored Pre-proline 1 C--N 1.478 6.181 0 O-C-N 120.67 -1.269 . . . . 0.0 111.958 -171.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.427 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 43.9 Cg_endo -60.2 98.27 0.12 Allowed 'Trans proline' 1 C--N 1.481 7.534 1 C-N-CA 127.109 5.206 . . . . 0.0 116.713 -178.85 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.582 ' CB ' ' CB ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -80.11 101.9 9.03 Favored 'General case' 1 C--N 1.481 6.287 0 O-C-N 120.761 -1.212 . . . . 0.0 110.049 171.085 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.22 -89.45 0.03 OUTLIER 'General case' 1 C--N 1.486 6.502 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.634 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -73.23 0.11 Allowed 'General case' 1 C--N 1.477 6.15 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.95 75.06 0.01 OUTLIER 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.799 1.285 . . . . 0.0 110.667 169.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.99 132.35 1.14 Allowed Pre-proline 1 C--N 1.475 6.058 0 CA-C-O 122.218 1.008 . . . . 0.0 111.542 -179.626 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -45.05 -76.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.482 7.587 1 C-N-CA 126.661 4.907 . . . . 0.0 115.924 -179.01 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 30.3 46.12 0.03 OUTLIER 'General case' 1 C--N 1.489 6.64 0 CA-C-O 122.309 1.052 . . . . 0.0 110.441 -171.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.94 -170.25 2.91 Favored 'General case' 1 C--N 1.478 6.163 0 CA-C-O 122.365 1.079 . . . . 0.0 111.353 -171.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.76 87.19 0.0 OUTLIER 'General case' 1 C--N 1.479 6.217 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -176.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 42.8 86.22 0.14 Allowed Pre-proline 1 C--N 1.478 6.194 0 CA-C-O 122.042 0.925 . . . . 0.0 112.018 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -41.22 -37.08 2.76 Favored 'Trans proline' 1 C--N 1.478 7.378 1 C-N-CA 126.341 4.694 . . . . 0.0 114.883 -179.628 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.88 158.75 6.15 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.688 0.756 . . . . 0.0 111.058 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 171.2 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.919 0.866 . . . . 0.0 111.447 177.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -95.75 67.61 2.78 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.747 0.784 . . . . 0.0 111.029 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 47.14 60.01 3.69 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.753 0.787 . . . . 0.0 111.021 172.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mt 75.12 115.97 0.06 Allowed 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.804 0.811 . . . . 0.0 110.946 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -136.35 -42.65 0.63 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.776 0.798 . . . . 0.0 110.994 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 113.79 19.21 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.785 0.802 . . . . 0.0 110.972 177.254 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.26 96.8 1.76 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.765 0.793 . . . . 0.0 110.97 174.025 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.6 p -101.38 -13.18 18.1 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.58 96.12 7.43 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 121.831 0.824 . . . . 0.0 111.14 -174.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.27 34.98 0.38 Allowed 'General case' 1 C--N 1.48 6.264 0 CA-C-O 121.781 0.8 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.4 m -114.92 158.27 22.23 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.751 0.786 . . . . 0.0 111.007 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 1 C--N 1.479 6.199 0 CA-C-O 121.999 0.904 . . . . 0.0 111.004 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.79 0.805 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 113.86 22.22 Favored 'General case' 1 C--N 1.48 6.25 0 CA-C-O 121.79 0.805 . . . . 0.0 111.017 176.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.62 161.19 0.21 Allowed 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.928 -175.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.7 147.11 30.75 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.801 0.81 . . . . 0.0 110.942 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.58 130.82 34.35 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.666 0.746 . . . . 0.0 110.96 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -74.06 -22.16 59.65 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.786 0.803 . . . . 0.0 111.04 -173.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.68 98.71 0.13 Allowed 'General case' 1 C--N 1.479 6.214 0 CA-C-O 121.797 0.808 . . . . 0.0 110.903 173.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -108.56 145.34 34.98 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.813 0.815 . . . . 0.0 111.332 -172.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -22.31 0.55 Allowed 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.872 0.844 . . . . 0.0 110.722 171.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.21 -54.32 18.59 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.952 0.882 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.88 -36.88 84.65 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 122.739 1.257 . . . . 0.0 110.591 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' SER . 5.7 mmt-85 -45.77 -70.95 0.08 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 125.264 2.459 . . . . 0.0 112.431 171.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -71.36 -22.37 61.91 Favored 'General case' 1 C--N 1.494 6.879 0 O-C-N 120.361 -1.462 . . . . 0.0 109.746 -171.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -39.88 83.3 Favored 'General case' 1 C--N 1.483 6.387 0 CA-C-O 121.825 0.822 . . . . 0.0 108.893 170.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.2 m -42.89 -55.48 3.69 Favored 'General case' 1 C--N 1.487 6.555 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.43 -53.61 46.43 Favored 'Isoleucine or valine' 1 C--N 1.495 6.914 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 mt -42.38 -44.65 4.04 Favored 'General case' 1 C--N 1.477 6.119 0 CA-C-O 123.885 1.802 . . . . 0.0 109.603 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.11 -98.62 0.02 OUTLIER 'General case' 1 C--N 1.489 6.631 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.294 -176.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.06 31.55 0.0 OUTLIER 'General case' 1 C--N 1.48 6.279 0 O-C-N 121.762 -0.586 . . . . 0.0 110.658 -169.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.26 140.78 0.91 Allowed Pre-proline 1 C--N 1.478 6.161 0 CA-C-O 122.008 0.909 . . . . 0.0 111.814 -170.307 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -28.61 -101.76 0.0 OUTLIER 'Trans proline' 2 C--N 1.477 7.331 1 C-N-CA 126.376 4.717 . . . . 0.0 114.654 -179.299 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.25 -76.54 0.44 Allowed 'General case' 1 C--N 1.474 6.003 0 CA-C-O 124.289 1.995 . . . . 0.0 108.023 171.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -159.83 98.24 1.34 Allowed 'General case' 1 C--N 1.483 6.412 0 C-N-CA 124.924 1.289 . . . . 0.0 109.305 168.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -35.55 114.62 0.27 Allowed 'General case' 1 C--N 1.478 6.174 0 CA-C-O 124.851 2.263 . . . . 0.0 109.969 -171.495 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.49 -90.14 1.51 Allowed Glycine 1 C--N 1.483 8.711 0 N-CA-C 103.429 -3.868 . . . . 0.0 103.429 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.76 24.72 0.1 Allowed 'General case' 1 C--N 1.471 5.864 0 CA-C-N 113.591 -1.304 . . . . 0.0 109.597 165.026 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 160.89 15.73 Favored 'General case' 1 C--N 1.492 6.791 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -168.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.656 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 4.9 m -146.41 152.28 13.74 Favored 'Isoleucine or valine' 1 C--N 1.488 6.624 0 O-C-N 121.025 -1.047 . . . . 0.0 109.725 -171.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CB ' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.24 145.07 51.07 Favored 'General case' 1 C--N 1.476 6.08 0 O-C-N 120.67 -1.269 . . . . 0.0 109.716 -171.938 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.23 100.82 6.24 Favored 'General case' 1 C--N 1.477 6.133 0 CA-C-O 121.846 0.832 . . . . 0.0 110.801 -171.51 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -86.62 103.15 12.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.882 0.848 . . . . 0.0 110.341 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.52 23.74 0.5 Allowed 'General case' 1 C--N 1.483 6.393 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.572 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -107.42 -35.19 6.84 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 120.778 -1.201 . . . . 0.0 110.766 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -97.48 -2.89 41.0 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.117 0.484 . . . . 0.0 111.218 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.68 43.65 96.05 Favored Glycine 1 C--N 1.48 8.534 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.3 pt -136.13 141.47 41.49 Favored 'Isoleucine or valine' 1 C--N 1.48 6.272 0 O-C-N 121.602 -0.94 . . . . 0.0 111.733 172.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 7.7 p90 -114.93 124.37 51.51 Favored 'General case' 1 C--N 1.478 6.168 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.424 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 41.8 t -138.03 162.92 32.86 Favored 'General case' 1 C--N 1.476 6.068 0 O-C-N 120.531 -1.356 . . . . 0.0 112.824 -170.022 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.48 121.79 78.44 Favored Pre-proline 1 C--N 1.475 6.048 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 165.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -18.79 99.9 0.01 OUTLIER 'Trans proline' 2 C--N 1.47 6.944 1 C-N-CA 127.387 5.391 . . . . 0.0 116.693 -177.579 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 p -178.15 -58.32 0.01 OUTLIER 'General case' 1 C--N 1.487 6.548 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m 0.57 90.09 0.01 OUTLIER 'General case' 1 C--N 1.482 6.328 0 CA-C-O 123.967 1.841 . . . . 0.0 114.54 -167.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -17.56 -44.67 0.0 OUTLIER 'General case' 1 C--N 1.487 6.55 0 C-N-CA 126.552 1.941 . . . . 0.0 114.019 170.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -178.18 0.03 OUTLIER 'General case' 1 C--N 1.477 6.132 0 CA-C-O 123.396 1.57 . . . . 0.0 111.077 -171.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -51.78 -12.42 0.2 Allowed 'General case' 1 C--N 1.488 6.61 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.785 -175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 86.02 151.37 0.07 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 121.976 0.893 . . . . 0.0 111.276 171.049 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.2 142.58 28.51 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 -172.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 142.77 57.51 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.523 0.677 . . . . 0.0 110.548 172.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 3.83 14.47 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.14 0.495 . . . . 0.0 111.713 175.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.22 -15.91 36.84 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.459 -0.776 . . . . 0.0 112.567 -171.177 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.275 8.2 p-10 -132.27 15.43 4.59 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -176.844 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.5 142.63 14.8 Favored 'Isoleucine or valine' 1 C--N 1.48 6.256 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.443 -163.089 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 7.7 t -127.14 139.94 52.61 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.14 -1.6 . . . . 0.0 111.495 -177.359 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' A' ' 29' ' ' PHE . 2.2 m-85 -109.86 155.64 21.41 Favored 'General case' 1 C--N 1.488 6.602 0 CA-C-O 123.246 1.498 . . . . 0.0 113.468 -170.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -149.23 158.42 44.17 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.941 -179.793 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -19.51 59.14 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 120.128 -1.608 . . . . 0.0 112.16 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 174.77 14.08 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.088 -1.008 . . . . 0.0 111.464 171.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.77 79.75 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.51 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -52.3 -14.94 0.51 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.366 0.603 . . . . 0.0 111.392 -171.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.563 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -80.52 -63.05 1.49 Allowed 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.539 0.685 . . . . 0.0 111.484 172.882 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . . . -49.43 -13.84 0.09 Allowed 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.693 -0.63 . . . . 0.0 112.165 172.377 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -84.13 -49.17 9.11 Favored 'General case' 1 C--N 1.478 6.169 0 O-C-N 121.091 -1.006 . . . . 0.0 110.476 171.764 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.38 5.36 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.531 0.681 . . . . 0.0 111.313 171.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.35 75.29 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 122.826 1.298 . . . . 0.0 109.446 172.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.12 25.15 6.23 Favored Glycine 1 C--N 1.484 8.756 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 172.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -89.35 -172.97 3.82 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-N 114.911 -0.645 . . . . 0.0 112.037 -171.802 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.17 111.48 56.61 Favored Pre-proline 1 C--N 1.479 6.198 0 O-C-N 121.044 -1.035 . . . . 0.0 111.752 -172.216 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -54.28 107.22 0.2 Allowed 'Trans proline' 1 C--N 1.483 7.606 1 C-N-CA 127.123 5.215 . . . . 0.0 115.324 -178.993 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.6 t -115.63 95.35 5.1 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.585 2.136 . . . . 0.0 109.849 171.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -76.88 -91.9 0.03 OUTLIER 'General case' 1 C--N 1.498 7.026 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.392 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.85 -70.16 0.16 Allowed 'General case' 1 C--N 1.479 6.211 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.71 73.04 0.01 OUTLIER 'General case' 1 C--N 1.478 6.166 0 CA-C-O 123.86 1.791 . . . . 0.0 110.181 169.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -40.62 -36.02 0.66 Allowed Pre-proline 1 C--N 1.477 6.14 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -170.846 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 73' ' ' GLN . 2.4 Cg_exo -35.38 -42.88 0.47 Allowed 'Trans proline' 1 C--N 1.475 7.23 1 C-N-CA 126.588 4.859 . . . . 0.0 114.814 -179.014 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 t0 169.25 74.69 0.0 OUTLIER 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.893 0.854 . . . . 0.0 110.917 171.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -79.91 -9.24 59.66 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.537 -171.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.79 -110.12 0.0 OUTLIER 'General case' 1 C--N 1.474 5.984 0 O-C-N 121.437 -0.79 . . . . 0.0 112.539 172.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.05 79.25 8.2 Favored Pre-proline 1 C--N 1.478 6.181 0 CA-C-O 121.922 0.868 . . . . 0.0 111.264 -171.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -43.09 85.53 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.357 1 C-N-CA 126.259 4.639 . . . . 0.0 114.718 179.315 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -49.46 120.84 4.43 Favored 'General case' 1 C--N 1.478 6.177 0 CA-C-O 121.712 0.767 . . . . 0.0 111.005 -173.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.69 132.15 8.72 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.755 0.788 . . . . 0.0 111.037 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -69.6 109.35 4.26 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.735 0.779 . . . . 0.0 110.967 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -161.52 32.52 0.13 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.739 0.78 . . . . 0.0 110.952 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.55 -160.36 0.56 Allowed 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.805 0.812 . . . . 0.0 110.961 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.8 150.29 28.58 Favored 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.752 0.787 . . . . 0.0 111.002 177.365 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.11 69.36 1.3 Allowed 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.742 0.782 . . . . 0.0 110.944 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.1 pp -116.53 17.88 7.38 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.563 0.697 . . . . 0.0 111.24 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.2 m -132.45 135.03 45.79 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.757 0.789 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -124.6 34.44 5.01 Favored 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.768 0.794 . . . . 0.0 110.831 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.21 109.86 10.72 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.804 0.811 . . . . 0.0 110.95 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 90.8 m -94.11 -50.72 5.16 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.775 0.798 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 . . . . . 1 C--N 1.479 6.201 0 CA-C-O 121.954 0.883 . . . . 0.0 110.998 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 121.706 0.765 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -123.83 27.98 7.05 Favored 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.79 0.805 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -88.56 -60.0 2.08 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.947 0.879 . . . . 0.0 110.939 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.43 96.01 1.85 Allowed 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.718 0.77 . . . . 0.0 111.016 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -63.63 1.2 Allowed 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.906 0.86 . . . . 0.0 111.073 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.6 p -82.54 124.2 29.89 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.262 1.029 . . . . 0.0 111.118 173.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.68 -150.97 0.16 Allowed 'General case' 1 C--N 1.482 6.327 0 CA-C-O 121.777 0.798 . . . . 0.0 111.043 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -156.59 -74.87 0.1 Allowed 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.709 0.766 . . . . 0.0 111.119 172.257 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' N ' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -78.1 -24.56 47.49 Favored 'General case' 1 C--N 1.48 6.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.783 -172.461 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.25 -62.76 1.26 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.245 1.021 . . . . 0.0 110.936 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -40.18 27.95 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.595 1.188 . . . . 0.0 110.446 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.47 -77.67 0.02 OUTLIER 'General case' 1 C--N 1.48 6.253 0 CA-C-O 123.468 1.604 . . . . 0.0 113.07 178.425 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 25.7 t-105 -73.0 -30.68 63.96 Favored 'General case' 1 C--N 1.486 6.531 0 O-C-N 120.774 -1.203 . . . . 0.0 110.973 -170.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.58 -35.51 60.9 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 121.983 0.897 . . . . 0.0 109.938 171.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -42.59 82.28 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 171.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.571 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 2.0 t -54.8 -52.58 41.05 Favored 'Isoleucine or valine' 1 C--N 1.489 6.655 0 CA-C-O 121.436 0.636 . . . . 0.0 112.703 172.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -51.8 -50.43 60.79 Favored 'General case' 1 C--N 1.476 6.084 0 CA-C-O 123.527 1.632 . . . . 0.0 110.861 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.77 14.51 8.5 Favored 'General case' 1 C--N 1.485 6.488 0 C-N-CA 124.137 0.975 . . . . 0.0 113.308 -169.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 0.83 65.16 0.0 OUTLIER 'General case' 1 C--N 1.477 6.132 0 C-N-CA 125.403 1.481 . . . . 0.0 113.701 -170.29 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -86.13 137.69 35.0 Favored Pre-proline 1 C--N 1.484 6.448 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -52.46 -22.55 16.64 Favored 'Trans proline' 1 C--N 1.478 7.394 1 C-N-CA 126.386 4.724 . . . . 0.0 115.831 179.229 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -46.07 57.24 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.83 10.44 24.53 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 121.229 -0.919 . . . . 0.0 112.518 -171.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -47.73 -76.11 0.02 OUTLIER 'General case' 1 C--N 1.478 6.195 0 CA-C-O 122.222 1.01 . . . . 0.0 110.821 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.09 4.41 54.43 Favored Glycine 1 C--N 1.481 8.607 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -172.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.68 -10.5 58.9 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.486 -1.008 . . . . 0.0 111.182 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.45 152.87 7.33 Favored 'General case' 1 C--N 1.48 6.266 0 O-C-N 121.746 -0.596 . . . . 0.0 111.922 178.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.24 168.83 2.32 Favored 'Isoleucine or valine' 1 C--N 1.483 6.376 0 O-C-N 120.431 -1.418 . . . . 0.0 111.045 -178.094 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.89 140.66 36.51 Favored 'General case' 1 C--N 1.481 6.304 0 O-C-N 121.746 -0.597 . . . . 0.0 110.235 172.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -129.41 98.61 4.92 Favored 'General case' 1 C--N 1.478 6.179 0 CA-C-O 122.147 0.975 . . . . 0.0 111.471 -171.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.516 ' CG1' ' CB ' ' A' ' 47' ' ' ALA . 13.1 p -88.57 97.34 6.74 Favored 'Isoleucine or valine' 1 C--N 1.481 6.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.801 177.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.39 79.94 8.84 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.702 0.763 . . . . 0.0 111.405 -172.486 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -134.42 -53.2 0.83 Allowed 'General case' 1 C--N 1.478 6.187 0 CA-C-O 122.442 1.115 . . . . 0.0 110.006 173.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -97.88 -15.25 20.28 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.858 0.837 . . . . 0.0 110.436 170.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.64 66.16 1.1 Allowed Glycine 1 C--N 1.48 8.551 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 172.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.62 132.81 51.65 Favored 'Isoleucine or valine' 1 C--N 1.48 6.243 0 O-C-N 121.564 -0.962 . . . . 0.0 111.549 174.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CB ' ' CD2' ' A' ' 66' ' ' PHE . 6.0 p90 -114.3 110.3 19.71 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.559 -0.713 . . . . 0.0 109.263 171.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.37 162.31 25.07 Favored 'General case' 1 C--N 1.477 6.122 0 O-C-N 120.002 -1.686 . . . . 0.0 112.286 -170.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 114.11 27.65 Favored Pre-proline 1 C--N 1.475 6.038 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 167.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -13.76 61.09 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 127.78 5.653 . . . . 0.0 120.075 -175.943 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 119.98 0.05 OUTLIER 'General case' 1 C--N 1.484 6.455 0 O-C-N 121.656 -0.653 . . . . 0.0 112.329 171.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -138.05 128.42 26.22 Favored 'General case' 1 C--N 1.478 6.175 0 O-C-N 120.604 -1.31 . . . . 0.0 109.785 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -72.27 -14.95 61.9 Favored 'General case' 1 C--N 1.478 6.155 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.54 -174.06 0.5 Allowed 'General case' 1 C--N 1.477 6.135 0 CA-C-O 122.498 1.142 . . . . 0.0 109.597 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -45.74 94.64 0.01 OUTLIER 'General case' 1 C--N 1.487 6.576 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.991 171.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -43.67 111.83 0.32 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.935 0.874 . . . . 0.0 111.722 -170.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.516 ' CB ' ' CG1' ' A' ' 31' ' ' VAL . . . -32.48 109.15 0.06 Allowed 'General case' 1 C--N 1.481 6.312 0 CA-C-O 121.87 0.843 . . . . 0.0 112.079 173.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' CD1' ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -51.5 137.74 23.57 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.798 0.809 . . . . 0.0 110.943 172.249 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -74.44 -4.35 36.12 Favored 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.217 0.532 . . . . 0.0 111.678 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 4.6 pt-20 -82.56 -9.95 59.19 Favored 'General case' 1 C--N 1.478 6.177 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.429 ' ND2' ' N ' ' A' ' 32' ' ' ARG 0.27 7.7 p-10 -133.22 18.74 4.04 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 178.7 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.34 150.45 4.57 Favored 'Isoleucine or valine' 1 C--N 1.479 6.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.421 -163.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ALA . 33.1 t -132.52 137.42 47.15 Favored 'General case' 1 C--N 1.477 6.136 0 O-C-N 120.234 -1.541 . . . . 0.0 111.949 177.303 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -106.21 135.96 46.77 Favored 'General case' 1 C--N 1.483 6.407 0 CA-C-O 123.242 1.496 . . . . 0.0 111.819 -172.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.517 ' CD2' ' CG ' ' A' ' 60' ' ' GLU . 1.4 m-85 -123.99 167.86 13.6 Favored 'General case' 1 C--N 1.477 6.137 0 C-N-CA 125.362 1.465 . . . . 0.0 110.141 172.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.51 -26.34 32.62 Favored 'General case' 1 C--N 1.48 6.249 0 O-C-N 118.339 -2.726 . . . . 0.0 112.876 170.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -145.59 157.93 43.91 Favored 'General case' 1 C--N 1.48 6.239 0 O-C-N 120.878 -1.139 . . . . 0.0 112.494 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.01 -16.4 64.34 Favored 'General case' 1 C--N 1.483 6.401 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.547 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -36.31 78.53 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.183 -0.948 . . . . 0.0 110.694 173.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.66 -57.79 3.85 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.547 0.689 . . . . 0.0 111.725 178.389 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' CB ' ' CD1' ' A' ' 37' ' ' PHE . . . -56.38 -27.26 55.72 Favored 'General case' 1 C--N 1.481 6.299 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -75.37 -48.65 21.98 Favored 'General case' 1 C--N 1.477 6.141 0 O-C-N 120.9 -1.125 . . . . 0.0 110.42 172.091 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.88 -24.21 5.94 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.671 0.748 . . . . 0.0 111.075 171.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -69.35 -40.21 77.65 Favored 'General case' 1 C--N 1.481 6.288 0 CA-C-O 122.67 1.224 . . . . 0.0 109.531 172.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.26 30.62 4.66 Favored Glycine 1 C--N 1.485 8.815 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 173.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.478 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -97.65 -168.84 1.74 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-N 114.906 -0.647 . . . . 0.0 111.49 -171.931 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' C ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -95.81 108.0 37.65 Favored Pre-proline 1 C--N 1.479 6.196 0 O-C-N 120.585 -1.322 . . . . 0.0 111.72 -176.63 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.455 ' N ' ' CE2' ' A' ' 37' ' ' PHE . 27.5 Cg_endo -56.85 104.7 0.15 Allowed 'Trans proline' 1 C--N 1.48 7.458 1 C-N-CA 127.45 5.433 . . . . 0.0 114.691 -179.243 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.0 t -113.58 100.35 8.43 Favored 'General case' 1 C--N 1.477 6.15 0 CA-C-O 124.077 1.894 . . . . 0.0 109.698 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -86.54 0.2 Allowed 'General case' 1 C--N 1.495 6.921 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.222 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -59.05 -71.14 0.13 Allowed 'General case' 1 C--N 1.477 6.144 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 170.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.79 62.34 0.01 OUTLIER 'General case' 1 C--N 1.48 6.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.933 168.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.74 139.0 0.96 Allowed Pre-proline 1 C--N 1.473 5.959 0 CA-C-O 122.345 1.069 . . . . 0.0 112.526 -171.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -76.53 -166.35 0.37 Allowed 'Trans proline' 1 C--N 1.483 7.646 1 C-N-CA 126.581 4.854 . . . . 0.0 114.518 179.135 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.46 -88.41 0.03 OUTLIER 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.825 0.821 . . . . 0.0 110.921 176.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -108.1 -99.71 0.37 Allowed 'General case' 1 C--N 1.479 6.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 177.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' C ' ' CD ' ' A' ' 79' ' ' PRO . . . -46.2 -168.97 0.0 OUTLIER 'General case' 1 C--N 1.476 6.101 0 CA-C-O 123.551 1.643 . . . . 0.0 113.03 169.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 6.6 p30 -110.64 39.72 0.16 Allowed Pre-proline 1 C--N 1.49 6.68 0 O-C-N 120.731 -1.231 . . . . 0.0 112.694 172.096 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 78' ' ' ASN . 22.6 Cg_endo -92.15 115.08 0.35 Allowed 'Trans proline' 2 C--N 1.476 7.285 1 C-N-CA 126.732 4.955 . . . . 0.0 114.561 179.288 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 54.4 3.1 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 120.672 -1.268 . . . . 0.0 111.463 171.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -42.56 105.89 0.05 Allowed 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.745 0.783 . . . . 0.0 111.009 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 -75.31 0.01 OUTLIER 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.746 0.784 . . . . 0.0 111.015 175.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -172.53 114.16 0.29 Allowed 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.713 0.768 . . . . 0.0 110.977 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.35 148.93 46.64 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.741 0.781 . . . . 0.0 111.039 -172.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -151.44 142.75 23.37 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.755 0.788 . . . . 0.0 110.942 172.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.58 100.77 6.37 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 121.809 0.814 . . . . 0.0 111.027 -172.39 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -44.24 1.97 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.231 0 CA-C-O 121.729 0.776 . . . . 0.0 110.935 172.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.29 172.47 6.9 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.767 0.794 . . . . 0.0 110.977 174.059 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -101.72 -19.44 15.38 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.732 0.777 . . . . 0.0 111.077 -172.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.68 131.68 41.89 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.758 0.79 . . . . 0.0 110.985 176.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.0 t -145.89 98.39 3.11 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.722 0.772 . . . . 0.0 110.97 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--N 1.478 6.173 0 CA-C-O 121.988 0.899 . . . . 0.0 110.98 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.432 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.749 0.785 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -106.63 -170.36 1.71 Allowed 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.767 0.794 . . . . 0.0 110.974 -173.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -27.26 0.22 Allowed 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.749 0.785 . . . . 0.0 110.988 177.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.19 -71.96 0.06 Allowed 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.775 0.797 . . . . 0.0 110.998 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -149.82 141.42 23.5 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.769 0.795 . . . . 0.0 110.994 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -165.03 0.19 Allowed 'General case' 1 C--N 1.478 6.188 0 CA-C-O 121.713 0.768 . . . . 0.0 111.005 173.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.59 94.61 5.68 Favored 'General case' 1 C--N 1.478 6.17 0 CA-C-O 121.688 0.756 . . . . 0.0 110.996 178.144 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -147.6 -75.54 0.19 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.751 0.786 . . . . 0.0 111.009 -175.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.74 -30.1 71.17 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.754 0.788 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.27 -56.51 7.35 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.036 0.922 . . . . 0.0 110.917 -176.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -57.54 -47.95 80.62 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 122.463 1.125 . . . . 0.0 111.052 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.68 -72.91 0.05 Allowed 'General case' 1 C--N 1.48 6.251 0 CA-C-O 123.915 1.817 . . . . 0.0 112.367 175.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.552 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 54.7 t-105 -76.23 -23.46 54.55 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 120.713 -1.242 . . . . 0.0 111.541 -169.235 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.75 -32.71 71.99 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.46 1.124 . . . . 0.0 108.727 170.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 m -61.45 -33.34 73.57 Favored 'General case' 1 C--N 1.483 6.398 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.214 171.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.552 ' CG2' ' CE3' ' A' ' 13' ' ' TRP 0.272 1.3 t -67.06 -65.42 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.492 6.762 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.023 171.274 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.2 mt -51.78 -49.08 63.4 Favored 'General case' 1 C--N 1.476 6.066 0 O-C-N 119.01 -2.307 . . . . 0.0 109.996 -171.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.86 -21.95 23.42 Favored 'General case' 1 C--N 1.489 6.634 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -168.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 2.06 62.86 0.0 OUTLIER 'General case' 1 C--N 1.475 6.055 0 CA-C-O 124.105 1.907 . . . . 0.0 113.725 -167.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -56.35 -54.43 53.15 Favored Pre-proline 1 C--N 1.493 6.813 0 O-C-N 120.593 -1.317 . . . . 0.0 109.739 170.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.19 -159.65 0.09 OUTLIER 'Trans proline' 2 C--N 1.479 7.433 1 C-N-CA 125.512 4.142 . . . . 0.0 112.502 178.171 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -89.92 -79.24 0.34 Allowed 'General case' 1 C--N 1.475 6.046 0 CA-C-O 123.069 1.414 . . . . 0.0 108.82 171.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.45 91.45 1.24 Allowed 'General case' 1 C--N 1.483 6.407 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.529 170.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -37.76 106.98 0.06 Allowed 'General case' 1 C--N 1.479 6.204 0 CA-C-O 124.238 1.97 . . . . 0.0 111.715 -171.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 -86.35 0.96 Allowed Glycine 1 C--N 1.48 8.553 0 N-CA-C 105.03 -3.228 . . . . 0.0 105.03 170.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -161.28 23.83 0.13 Allowed 'General case' 1 C--N 1.474 5.984 0 CA-C-N 113.72 -1.24 . . . . 0.0 109.802 167.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.42 157.16 1.07 Allowed 'General case' 1 C--N 1.485 6.476 0 CA-C-O 123.355 1.55 . . . . 0.0 112.864 -170.337 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 55' ' ' TYR . 2.3 m -141.4 157.42 21.76 Favored 'Isoleucine or valine' 1 C--N 1.487 6.58 0 O-C-N 120.993 -1.067 . . . . 0.0 110.452 -169.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -139.91 136.85 34.31 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 120.849 -1.157 . . . . 0.0 110.21 -178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' SER . . . -122.63 111.33 16.63 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.18 -0.95 . . . . 0.0 111.106 -172.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 47' ' ' ALA . 6.8 p -95.8 110.18 23.91 Favored 'Isoleucine or valine' 1 C--N 1.479 6.212 0 CA-C-O 121.304 0.574 . . . . 0.0 110.487 175.578 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.8 ptt180 -84.83 26.97 0.78 Allowed 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.478 -0.764 . . . . 0.0 112.824 -171.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 2.1 m -106.89 -38.52 6.04 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 121.113 -0.992 . . . . 0.0 110.285 -178.665 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.4 m -101.4 -9.47 21.09 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.878 171.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.95 51.04 11.13 Favored Glycine 1 C--N 1.479 8.521 0 O-C-N 121.549 -0.719 . . . . 0.0 112.277 171.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.86 141.1 42.87 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.433 -1.04 . . . . 0.0 110.574 171.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -111.09 104.8 13.38 Favored 'General case' 1 C--N 1.478 6.18 0 O-C-N 120.657 -1.277 . . . . 0.0 109.344 171.993 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.1 t -122.67 168.08 12.64 Favored 'General case' 1 C--N 1.478 6.157 0 O-C-N 119.698 -1.876 . . . . 0.0 110.775 -169.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 175.27 3.18 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 122.758 1.266 . . . . 0.0 108.066 166.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -14.47 -31.5 0.0 OUTLIER 'Trans proline' 1 C--N 1.474 7.163 2 C-N-CA 128.916 6.411 . . . . 0.0 122.578 -178.205 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 t -164.61 160.28 19.95 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-N 122.002 2.183 . . . . 0.0 113.963 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 m -127.89 132.17 49.36 Favored 'General case' 1 C--N 1.49 6.683 0 O-C-N 121.074 -1.016 . . . . 0.0 109.252 170.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.27 5.72 5.24 Favored 'General case' 1 C--N 1.475 6.049 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.637 -171.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.18 -176.35 5.65 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.648 1.213 . . . . 0.0 110.146 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -42.09 1.06 Allowed 'General case' 1 C--N 1.486 6.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.859 174.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 55.96 173.73 0.03 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.797 0.808 . . . . 0.0 111.08 -177.407 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -131.98 175.08 9.53 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 122.134 0.969 . . . . 0.0 111.694 -171.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' CD2' ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -86.69 178.58 6.99 Favored 'General case' 1 C--N 1.481 6.293 0 CA-C-O 122.203 1.002 . . . . 0.0 111.747 -172.035 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -88.02 15.38 7.39 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.691 0.758 . . . . 0.0 111.521 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' CG ' ' CD2' ' A' ' 48' ' ' LEU . 6.5 mm-40 -86.24 -22.47 26.86 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.805 -0.56 . . . . 0.0 112.358 -171.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 33' ' ' THR 0.288 9.5 p-10 -132.77 18.1 4.24 Favored 'General case' 1 C--N 1.469 5.776 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -176.417 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -94.87 165.16 1.99 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.083 -162.423 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' ALA . 27.1 t -126.22 172.11 10.34 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.428 -1.42 . . . . 0.0 111.173 172.027 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CZ ' ' CB ' ' A' ' 13' ' ' TRP . 33.4 m-85 -141.24 149.05 40.84 Favored 'General case' 1 C--N 1.482 6.358 0 CA-C-O 122.707 1.242 . . . . 0.0 112.106 174.112 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.68 160.36 43.65 Favored 'General case' 1 C--N 1.481 6.296 0 C-N-CA 123.743 0.817 . . . . 0.0 109.927 -178.182 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.13 -25.51 39.86 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 119.646 -1.909 . . . . 0.0 112.004 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -143.33 159.5 42.24 Favored 'General case' 1 C--N 1.479 6.219 0 O-C-N 121.291 -0.88 . . . . 0.0 111.143 174.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.69 -30.78 71.51 Favored 'General case' 1 C--N 1.482 6.327 0 O-C-N 121.455 -0.778 . . . . 0.0 112.172 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -32.12 7.83 Favored 'General case' 1 C--N 1.479 6.211 0 O-C-N 121.245 -0.909 . . . . 0.0 111.186 176.258 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.554 ' CG ' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -73.66 -64.74 0.93 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.724 0.773 . . . . 0.0 111.445 -179.471 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.662 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . . . -52.31 -12.92 0.29 Allowed 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.542 -0.724 . . . . 0.0 112.241 172.038 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -83.49 -42.56 16.74 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.787 -1.196 . . . . 0.0 110.438 171.533 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.42 -26.16 7.52 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 122.164 0.983 . . . . 0.0 110.233 171.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.58 70.95 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.699 1.238 . . . . 0.0 109.724 171.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 102.6 40.21 2.59 Favored Glycine 1 C--N 1.483 8.703 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 172.585 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.556 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -97.86 -173.12 2.53 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -171.248 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 67' ' ' ARG . 0.5 OUTLIER -97.44 108.41 44.75 Favored Pre-proline 1 C--N 1.478 6.189 0 CA-C-O 122.449 1.118 . . . . 0.0 113.444 -170.982 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -42.1 110.13 0.14 Allowed 'Trans proline' 1 C--N 1.485 7.737 1 C-N-CA 127.468 5.445 . . . . 0.0 117.1 179.499 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.0 t -131.06 91.36 3.03 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 125.193 2.425 . . . . 0.0 109.518 171.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -85.78 -79.05 0.25 Allowed 'General case' 1 C--N 1.499 7.081 0 CA-C-N 114.125 -1.398 . . . . 0.0 109.905 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -71.81 0.17 Allowed 'General case' 1 C--N 1.477 6.119 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 169.107 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 178.99 75.72 0.01 OUTLIER 'General case' 1 C--N 1.479 6.228 0 CA-C-O 122.158 0.98 . . . . 0.0 110.736 168.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -41.84 173.22 0.03 OUTLIER Pre-proline 1 C--N 1.474 6.006 0 CA-C-O 122.923 1.344 . . . . 0.0 114.208 178.318 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -34.01 169.05 0.0 OUTLIER 'Trans proline' 1 C--N 1.484 7.686 1 C-N-CA 127.618 5.546 . . . . 0.0 118.306 -178.94 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -153.22 79.14 1.18 Allowed 'General case' 1 C--N 1.484 6.434 0 CA-C-O 122.149 0.976 . . . . 0.0 110.402 -171.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 86.7 2.82 Favored 'General case' 1 C--N 1.481 6.322 0 CA-C-O 122.155 0.979 . . . . 0.0 110.611 175.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.96 -27.25 0.01 OUTLIER 'General case' 1 C--N 1.476 6.086 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.343 -171.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 90.36 103.92 0.02 OUTLIER Pre-proline 1 C--N 1.477 6.151 0 CA-C-O 122.078 0.942 . . . . 0.0 110.702 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -69.87 -42.89 2.91 Favored 'Trans proline' 1 C--N 1.48 7.448 1 C-N-CA 126.375 4.717 . . . . 0.0 115.489 -179.091 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -175.57 89.9 0.05 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.729 0.776 . . . . 0.0 111.484 -172.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.99 177.76 0.01 OUTLIER 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.832 0.825 . . . . 0.0 111.066 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 65.75 24.57 11.45 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.675 0.75 . . . . 0.0 110.97 172.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -162.69 131.29 4.03 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.732 0.777 . . . . 0.0 110.98 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.27 90.56 0.07 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.727 0.775 . . . . 0.0 110.997 -174.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.52 23.83 0.9 Allowed 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.781 0.801 . . . . 0.0 110.997 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -108.95 73.99 0.88 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.963 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.39 -22.87 4.67 Favored 'Isoleucine or valine' 1 C--N 1.479 6.201 0 CA-C-O 121.752 0.787 . . . . 0.0 110.998 -178.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 m -131.59 101.83 5.66 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.668 0.747 . . . . 0.0 111.018 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.84 71.68 1.68 Allowed 'General case' 1 C--N 1.478 6.163 0 CA-C-O 121.74 0.781 . . . . 0.0 111.083 175.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.81 93.04 0.97 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.739 0.78 . . . . 0.0 110.987 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.39 -84.69 0.1 Allowed 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.777 0.799 . . . . 0.0 110.989 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 . . . . . 1 C--N 1.479 6.224 0 CA-C-O 121.964 0.888 . . . . 0.0 110.998 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mtt . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 121.752 0.787 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -74.76 -41.88 59.25 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.2 133.8 23.17 Favored 'General case' 1 C--N 1.48 6.248 0 CA-C-O 121.792 0.806 . . . . 0.0 110.889 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.54 123.77 24.59 Favored 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.787 0.803 . . . . 0.0 110.951 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t -136.83 6.12 2.89 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.116 0.484 . . . . 0.0 111.347 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.7 m -86.04 90.98 8.27 Favored 'General case' 1 C--N 1.478 6.194 0 O-C-N 121.52 -0.737 . . . . 0.0 111.635 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.94 95.43 0.06 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.624 0.725 . . . . 0.0 110.313 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -157.61 -52.18 0.07 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.802 0.81 . . . . 0.0 111.369 -171.295 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.82 -38.72 92.13 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.544 0.688 . . . . 0.0 111.476 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -38.25 52.98 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.448 0.642 . . . . 0.0 111.469 -172.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.1 -51.2 68.89 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 123.15 1.452 . . . . 0.0 110.753 172.212 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -40.91 -59.29 1.47 Allowed 'General case' 1 C--N 1.482 6.344 0 CA-C-O 125.233 2.444 . . . . 0.0 111.942 171.751 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CE3' ' CG2' ' A' ' 16' ' ' VAL . 61.5 t-105 -78.19 -27.27 47.88 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-N 114.074 -1.421 . . . . 0.0 113.292 -167.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.65 -23.85 60.01 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 122.507 1.146 . . . . 0.0 109.066 170.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.9 m -70.07 -42.98 72.1 Favored 'General case' 1 C--N 1.483 6.399 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.826 171.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.577 ' CG2' ' CE3' ' A' ' 13' ' ' TRP . 1.6 t -56.23 -55.06 20.77 Favored 'Isoleucine or valine' 1 C--N 1.489 6.646 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 172.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.14 -47.78 54.0 Favored 'General case' 1 C--N 1.475 6.063 0 O-C-N 119.773 -1.829 . . . . 0.0 109.408 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.96 58.91 5.06 Favored 'General case' 1 C--N 1.484 6.414 0 C-N-CA 124.184 0.994 . . . . 0.0 112.384 -177.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -30.65 -36.84 0.01 OUTLIER 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.213 -0.929 . . . . 0.0 111.727 171.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -43.12 104.8 0.39 Allowed Pre-proline 1 C--N 1.479 6.219 0 O-C-N 121.417 -0.802 . . . . 0.0 110.703 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -33.84 76.04 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.352 1 C-N-CA 127.265 5.31 . . . . 0.0 117.093 -178.909 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.49 -62.9 1.39 Allowed 'General case' 1 C--N 1.48 6.241 0 CA-C-O 122.127 0.965 . . . . 0.0 110.685 171.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.25 48.35 2.42 Favored 'General case' 1 C--N 1.481 6.297 0 CA-C-O 121.804 0.812 . . . . 0.0 110.955 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.3 -58.19 5.89 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.322 1.058 . . . . 0.0 110.901 -173.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 6.08 53.81 Favored Glycine 1 C--N 1.482 8.654 0 O-C-N 121.607 -0.683 . . . . 0.0 111.662 -175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -107.47 0.81 23.06 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.398 -1.06 . . . . 0.0 111.53 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.36 171.36 19.92 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 123.372 1.558 . . . . 0.0 112.488 171.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.6 m -141.5 155.32 20.49 Favored 'Isoleucine or valine' 1 C--N 1.481 6.298 0 C-N-CA 124.989 1.316 . . . . 0.0 109.415 -169.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -135.88 135.92 40.11 Favored 'General case' 1 C--N 1.477 6.133 0 O-C-N 119.726 -1.859 . . . . 0.0 109.071 -171.742 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.19 102.43 6.93 Favored 'General case' 1 C--N 1.478 6.174 0 O-C-N 121.011 -1.055 . . . . 0.0 111.474 -171.042 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.53 104.25 15.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.208 0 CA-C-O 121.689 0.757 . . . . 0.0 110.406 175.164 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -86.0 31.79 0.62 Allowed 'General case' 1 C--N 1.481 6.302 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -171.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -102.27 -41.77 6.25 Favored 'General case' 1 C--N 1.478 6.168 0 O-C-N 121.135 -0.978 . . . . 0.0 111.191 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -100.44 -23.18 14.8 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 122.146 0.974 . . . . 0.0 110.691 172.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.34 56.92 1.41 Allowed Glycine 1 C--N 1.482 8.656 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 171.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -135.24 134.73 52.63 Favored 'Isoleucine or valine' 1 C--N 1.481 6.29 0 O-C-N 120.633 -1.51 . . . . 0.0 112.089 170.672 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 1.3 p90 -102.39 94.07 5.5 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.4 t -115.95 165.02 13.58 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 120.123 -1.611 . . . . 0.0 111.399 -170.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.72 153.63 94.77 Favored Pre-proline 1 C--N 1.475 6.036 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 165.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -14.63 145.23 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.916 1 C-N-CA 127.277 5.318 . . . . 0.0 118.875 -176.908 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m 2.72 114.84 0.0 OUTLIER 'General case' 1 C--N 1.487 6.578 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.54 156.18 38.52 Favored 'General case' 1 C--N 1.491 6.76 0 CA-C-O 122.665 1.221 . . . . 0.0 109.254 169.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -10.32 18.82 Favored 'General case' 1 C--N 1.477 6.115 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.318 -171.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.02 -174.57 4.93 Favored 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.594 1.187 . . . . 0.0 109.612 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.73 95.99 0.01 OUTLIER 'General case' 1 C--N 1.488 6.599 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.116 172.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 151.83 20.02 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.097 0.951 . . . . 0.0 112.046 -171.172 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 165.61 11.38 Favored 'General case' 1 C--N 1.481 6.326 0 CA-C-O 121.833 0.825 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 171.94 11.4 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.977 0.894 . . . . 0.0 110.853 -173.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -13.26 62.35 Favored 'General case' 1 C--N 1.482 6.35 0 CA-C-O 121.458 0.646 . . . . 0.0 111.964 172.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 10.93 17.15 Favored 'General case' 1 C--N 1.482 6.341 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -170.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.92 17.38 3.03 Favored 'General case' 1 C--N 1.469 5.777 0 CA-C-O 124.373 2.035 . . . . 0.0 107.473 171.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.01 150.82 6.97 Favored 'Isoleucine or valine' 1 C--N 1.496 6.966 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.819 -164.84 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' ALA . 32.0 t -134.1 138.31 45.18 Favored 'General case' 1 C--N 1.476 6.104 0 O-C-N 119.884 -1.76 . . . . 0.0 110.575 171.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' A' ' 29' ' ' PHE . 20.6 m-85 -120.37 140.45 51.29 Favored 'General case' 1 C--N 1.484 6.453 0 O-C-N 120.375 -1.453 . . . . 0.0 114.601 -170.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.629 ' CE2' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -138.07 156.58 47.64 Favored 'General case' 1 C--N 1.488 6.6 0 O-C-N 121.014 -1.054 . . . . 0.0 110.559 -171.827 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.55 78.63 Favored 'General case' 1 C--N 1.484 6.421 0 O-C-N 119.932 -1.73 . . . . 0.0 113.941 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -152.3 158.66 43.09 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.972 -1.08 . . . . 0.0 112.223 -174.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.5 68.43 Favored 'General case' 1 C--N 1.483 6.385 0 CA-C-O 121.387 0.613 . . . . 0.0 111.617 -173.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -59.66 -34.34 72.71 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.761 0.791 . . . . 0.0 110.85 -174.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -55.38 17.34 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.582 0.706 . . . . 0.0 111.286 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.629 ' CB ' ' CE2' ' A' ' 55' ' ' TYR . . . -55.77 -28.55 56.58 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.706 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -72.54 -40.69 66.53 Favored 'General case' 1 C--N 1.477 6.114 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 171.692 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -29.07 61.4 Favored 'General case' 1 C--N 1.478 6.172 0 CA-C-O 121.753 0.787 . . . . 0.0 110.98 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.73 -33.14 73.43 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.305 1.05 . . . . 0.0 110.05 173.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.57 32.73 6.16 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 176.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.484 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -103.43 -173.24 2.27 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 122.319 -0.518 . . . . 0.0 111.958 -171.942 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' C ' ' CD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.47 119.28 64.37 Favored Pre-proline 1 C--N 1.479 6.237 0 O-C-N 120.91 -1.119 . . . . 0.0 112.1 -173.018 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -61.66 97.76 0.15 Allowed 'Trans proline' 1 C--N 1.481 7.526 1 C-N-CA 126.857 5.038 . . . . 0.0 115.16 -179.009 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 4.3 t -109.69 101.13 10.05 Favored 'General case' 1 C--N 1.478 6.161 0 CA-C-O 124.83 2.252 . . . . 0.0 109.815 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -77.65 0.42 Allowed 'General case' 1 C--N 1.497 7.017 0 O-C-N 120.534 -1.354 . . . . 0.0 110.409 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -71.9 0.13 Allowed 'General case' 1 C--N 1.477 6.112 0 CA-C-O 122.764 1.269 . . . . 0.0 107.805 170.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.43 52.53 0.0 OUTLIER 'General case' 1 C--N 1.479 6.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.532 168.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -40.09 111.66 0.76 Allowed Pre-proline 1 C--N 1.474 5.992 0 CA-C-O 122.03 0.919 . . . . 0.0 112.901 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -75.38 -100.89 0.01 OUTLIER 'Trans proline' 1 C--N 1.481 7.533 1 C-N-CA 126.481 4.788 . . . . 0.0 115.004 179.185 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.18 82.95 0.17 Allowed 'General case' 1 C--N 1.495 6.922 0 CA-C-N 119.22 0.918 . . . . 0.0 110.182 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -30.91 19.23 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.608 176.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.02 64.38 0.01 OUTLIER 'General case' 1 C--N 1.475 6.035 0 O-C-N 121.674 -0.641 . . . . 0.0 112.458 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.48 72.21 1.02 Allowed Pre-proline 1 C--N 1.478 6.193 0 CA-C-O 121.977 0.894 . . . . 0.0 111.244 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -42.71 146.63 0.76 Allowed 'Trans proline' 1 C--N 1.479 7.395 1 C-N-CA 126.259 4.639 . . . . 0.0 114.58 -179.201 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.59 174.93 0.08 Allowed 'General case' 1 C--N 1.48 6.247 0 O-C-N 121.286 -0.883 . . . . 0.0 111.3 173.055 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.99 -174.86 0.0 OUTLIER 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.083 0.944 . . . . 0.0 111.584 172.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 83' ' ' ARG . 32.4 p80 -79.88 -46.42 16.86 Favored 'General case' 1 C--N 1.48 6.269 0 CA-C-O 121.674 0.749 . . . . 0.0 111.056 -173.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' A' ' 82' ' ' HIS . 0.1 OUTLIER 63.23 113.76 0.02 OUTLIER 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.648 0.737 . . . . 0.0 111.023 -172.669 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 83.78 64.97 0.01 OUTLIER 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.755 0.788 . . . . 0.0 110.952 173.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -168.98 65.23 0.06 Allowed 'General case' 1 C--N 1.479 6.202 0 CA-C-O 121.91 0.862 . . . . 0.0 110.918 172.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 172.06 15.96 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.789 0.804 . . . . 0.0 110.976 -176.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.03 -75.19 0.12 Allowed 'Isoleucine or valine' 1 C--N 1.48 6.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 -174.015 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 p -137.54 93.71 2.83 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.773 0.796 . . . . 0.0 111.027 -175.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 28.09 9.07 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.757 0.789 . . . . 0.0 111.053 178.307 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 45.95 52.31 10.02 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.707 0.765 . . . . 0.0 111.013 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.73 -58.47 0.16 Allowed 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.902 0.858 . . . . 0.0 110.958 -173.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 . . . . . 1 C--N 1.479 6.201 0 CA-C-O 122.046 0.927 . . . . 0.0 111.032 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.97 0.891 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -20.96 2.23 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 121.714 0.769 . . . . 0.0 110.803 172.013 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -40.92 62.99 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.346 0.593 . . . . 0.0 111.094 -176.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -48.2 81.98 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 122.536 1.16 . . . . 0.0 110.613 174.282 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.34 -73.45 0.05 OUTLIER 'General case' 1 C--N 1.479 6.239 0 CA-C-O 124.701 2.191 . . . . 0.0 112.655 171.968 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.876 ' HA ' HG23 ' A' ' 16' ' ' VAL . 26.0 t-105 -68.8 -25.57 64.76 Favored 'General case' 1 C--N 1.489 6.669 0 O-C-N 120.53 -1.356 . . . . 0.0 111.089 -169.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -41.04 78.35 Favored 'General case' 1 C--N 1.482 6.364 0 CA-C-O 122.076 0.941 . . . . 0.0 109.414 171.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.785 ' HB3' ' O ' ' A' ' 12' ' ' ARG . 9.9 t -49.5 -38.29 29.76 Favored 'General case' 1 C--N 1.483 6.375 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.18 171.336 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.4 t -65.22 -57.36 11.35 Favored 'Isoleucine or valine' 1 C--N 1.492 6.791 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 ' HE1' ' A' ' 13' ' ' TRP . 10.3 mt . . . . . 1 C--N 1.477 6.128 0 O-C-N 119.914 -1.741 . . . . 0.0 109.768 -171.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' HE1' ' HG ' ' A' ' 15' ' ' SER . 16.2 p90 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 121.886 0.851 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.131 HG23 ' CD1' ' A' ' 55' ' ' TYR . 34.5 m -122.52 152.44 26.85 Favored 'Isoleucine or valine' 1 C--N 1.477 6.119 0 O-C-N 120.87 -1.144 . . . . 0.0 109.767 -170.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' HD1' HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -135.05 132.79 38.66 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.55 -1.344 . . . . 0.0 110.489 -171.761 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.28 99.51 6.74 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.705 0.764 . . . . 0.0 110.729 -172.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -90.98 110.27 22.1 Favored 'Isoleucine or valine' 1 C--N 1.478 6.18 0 CA-C-O 121.583 0.706 . . . . 0.0 110.5 173.025 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -82.12 19.2 1.2 Allowed 'General case' 1 C--N 1.48 6.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' CB ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -100.27 -33.59 10.35 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.105 -0.997 . . . . 0.0 110.786 176.66 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.862 HG22 HG23 ' A' ' 36' ' ' ILE . 16.6 m -97.15 -3.48 40.98 Favored 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.94 -0.475 . . . . 0.0 111.193 172.012 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.12 42.34 97.04 Favored Glycine 1 C--N 1.479 8.508 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 34' ' ' THR . 1.0 OUTLIER -129.28 130.55 67.76 Favored 'Isoleucine or valine' 1 C--N 1.483 6.388 0 CA-C-O 122.398 1.094 . . . . 0.0 112.505 174.713 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.977 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -107.87 109.34 20.84 Favored 'General case' 1 C--N 1.479 6.196 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 169.921 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.013 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -139.51 163.51 32.35 Favored 'General case' 1 C--N 1.477 6.112 0 O-C-N 120.246 -1.534 . . . . 0.0 110.863 -169.595 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -74.9 140.99 74.6 Favored Pre-proline 1 C--N 1.479 6.231 0 CA-C-O 122.252 1.025 . . . . 0.0 109.386 175.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -11.5 -37.33 0.0 OUTLIER 'Trans proline' 1 C--N 1.475 7.22 2 C-N-CA 129.499 6.799 . . . . 0.0 124.518 -177.39 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -98.89 43.39 1.06 Allowed 'General case' 1 C--N 1.477 6.136 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -72.01 103.18 3.16 Favored 'General case' 1 C--N 1.492 6.795 0 O-C-N 120.612 -1.305 . . . . 0.0 109.234 171.653 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.08 -52.48 7.35 Favored 'General case' 1 C--N 1.481 6.294 0 C-N-CA 123.588 0.755 . . . . 0.0 112.445 -171.136 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.06 143.69 0.16 Allowed 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.192 0.996 . . . . 0.0 110.222 173.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.59 95.98 0.01 OUTLIER 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.804 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -96.68 135.96 37.87 Favored 'General case' 1 C--N 1.482 6.337 0 CA-C-O 121.746 0.784 . . . . 0.0 110.875 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.957 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -48.82 172.48 0.02 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.917 0.865 . . . . 0.0 110.831 174.7 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.847 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.32 -172.59 4.23 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 122.753 1.263 . . . . 0.0 111.78 -171.758 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 7.2 ttm180 -88.43 18.53 4.44 Favored 'General case' 1 C--N 1.481 6.307 0 CA-C-O 122.122 0.963 . . . . 0.0 110.778 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.847 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.18 -23.2 24.88 Favored 'General case' 1 C--N 1.481 6.319 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.083 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.683 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.46 24.85 2.92 Favored 'General case' 1 C--N 1.471 5.876 0 CA-C-O 125.306 2.479 . . . . 0.0 107.19 -175.017 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.714 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -99.14 142.14 15.44 Favored 'Isoleucine or valine' 1 C--N 1.498 7.054 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.679 -165.309 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.9 t -127.82 124.54 37.84 Favored 'General case' 1 C--N 1.477 6.109 0 O-C-N 120.472 -1.392 . . . . 0.0 111.648 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' CE1' HG13 ' A' ' 52' ' ' VAL . 11.3 m-85 -102.13 149.84 23.86 Favored 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.392 1.091 . . . . 0.0 112.315 -171.633 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.131 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -144.08 162.82 35.29 Favored 'General case' 1 C--N 1.478 6.189 0 C-N-CA 123.271 0.629 . . . . 0.0 110.494 177.85 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.62 -41.35 65.62 Favored 'General case' 1 C--N 1.482 6.329 0 O-C-N 119.343 -2.098 . . . . 0.0 112.155 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.535 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 21.4 t-20 -131.82 152.07 51.24 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.362 -0.837 . . . . 0.0 111.107 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.17 -13.73 62.45 Favored 'General case' 1 C--N 1.48 6.254 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.291 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.535 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 5.1 t -60.65 -28.32 68.49 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.245 -0.909 . . . . 0.0 110.668 177.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.832 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.49 -64.53 0.88 Allowed 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.549 0.69 . . . . 0.0 111.654 173.689 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -51.28 -24.39 4.46 Favored 'General case' 1 C--N 1.481 6.319 0 O-C-N 121.421 -0.799 . . . . 0.0 112.516 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' CD2' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.62 -48.37 19.34 Favored 'General case' 1 C--N 1.477 6.149 0 O-C-N 121.216 -0.928 . . . . 0.0 110.378 171.994 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.46 -22.76 2.05 Favored 'General case' 1 C--N 1.478 6.178 0 CA-C-O 121.856 0.836 . . . . 0.0 110.763 171.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.67 -42.85 67.0 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 122.586 1.184 . . . . 0.0 109.834 172.119 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.02 36.71 2.48 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 175.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.977 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -106.26 -172.64 2.12 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-N 115.093 -0.554 . . . . 0.0 112.006 -171.584 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.16 102.46 10.9 Favored Pre-proline 1 C--N 1.479 6.235 0 O-C-N 120.875 -1.14 . . . . 0.0 112.441 -171.912 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.815 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 32.3 Cg_exo -63.05 95.73 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.408 1 C-N-CA 127.471 5.447 . . . . 0.0 115.53 -179.483 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 1.013 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -99.39 114.64 27.67 Favored 'General case' 1 C--N 1.483 6.393 0 CA-C-O 123.751 1.738 . . . . 0.0 113.125 170.487 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -120.75 26.13 9.29 Favored 'General case' 1 C--N 1.491 6.72 0 CA-C-O 122.791 1.281 . . . . 0.0 110.219 170.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.77 40.8 0.24 Allowed 'General case' 1 C--N 1.481 6.304 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.449 -172.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 42' ' ' CYS 0.353 95.6 m . . . . . 1 C--N 1.484 6.434 1 CA-C-O 130.983 5.183 . . . . 0.0 108.619 -170.694 . . . . . . . . 4 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.11 -33.32 63.55 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.579 0.704 . . . . 0.0 111.374 -172.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -73.43 -51.69 16.36 Favored 'General case' 1 C--N 1.48 6.273 0 CA-C-O 121.953 0.883 . . . . 0.0 110.843 -175.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.43 -42.36 87.14 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 122.293 1.044 . . . . 0.0 110.759 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.8 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.6 -76.72 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 123.631 1.681 . . . . 0.0 112.885 173.25 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.827 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 22.6 t-105 -72.0 -32.02 66.8 Favored 'General case' 1 C--N 1.487 6.544 0 O-C-N 120.743 -1.223 . . . . 0.0 111.418 -170.173 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -55.57 -32.2 62.82 Favored 'General case' 1 C--N 1.481 6.302 0 CA-C-O 121.965 0.888 . . . . 0.0 109.791 171.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.8 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.7 m -58.02 -41.87 84.06 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.36 171.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.827 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 16.6 t -49.97 -55.93 4.48 Favored 'Isoleucine or valine' 1 C--N 1.494 6.885 0 C-N-CA 119.594 -0.842 . . . . 0.0 111.099 171.594 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' NE1' ' A' ' 13' ' ' TRP . 11.8 mt . . . . . 1 C--N 1.476 6.076 0 CA-C-O 123.463 1.601 . . . . 0.0 109.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 CA--C 1.507 -0.701 0 CA-C-O 122.102 0.954 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.121 HG23 ' HD1' ' A' ' 55' ' ' TYR . 17.6 m -143.74 151.7 16.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.25 -0.906 . . . . 0.0 109.346 -170.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -134.16 143.45 47.92 Favored 'General case' 1 C--N 1.476 6.094 0 O-C-N 120.991 -1.068 . . . . 0.0 110.567 -175.046 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -128.01 97.14 4.69 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.775 0.798 . . . . 0.0 111.044 -172.326 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.745 ' HB ' HG23 ' A' ' 52' ' ' VAL . 8.4 p -91.42 111.44 23.9 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-O 121.11 0.481 . . . . 0.0 110.594 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -84.26 29.22 0.59 Allowed 'General case' 1 C--N 1.481 6.307 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 -171.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -100.56 -35.01 9.67 Favored 'General case' 1 C--N 1.478 6.17 0 O-C-N 121.056 -1.027 . . . . 0.0 110.939 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 36' ' ' ILE . 10.3 m -110.92 16.91 20.99 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-O 121.404 0.621 . . . . 0.0 111.236 172.505 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 48.76 36.51 19.31 Favored Glycine 1 C--N 1.479 8.497 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 174.42 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 34' ' ' THR . 1.1 pt -122.74 135.35 63.1 Favored 'Isoleucine or valine' 1 C--N 1.482 6.336 0 CA-C-O 122.56 1.172 . . . . 0.0 112.005 174.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.957 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -114.01 127.76 56.09 Favored 'General case' 1 C--N 1.478 6.158 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 171.257 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 43.4 t -139.39 156.32 47.06 Favored 'General case' 1 C--N 1.477 6.125 0 O-C-N 120.736 -1.227 . . . . 0.0 113.951 -169.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -76.28 113.37 27.8 Favored Pre-proline 1 C--N 1.477 6.111 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.97 82.48 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 126.251 4.634 . . . . 0.0 114.403 -177.63 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -152.48 -34.33 0.13 Allowed 'General case' 1 C--N 1.491 6.747 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -56.14 100.03 0.04 OUTLIER 'General case' 1 C--N 1.487 6.586 0 CA-C-O 122.444 1.116 . . . . 0.0 109.182 -171.637 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -68.48 -41.28 80.34 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -169.636 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 177.39 0.42 Allowed 'General case' 1 C--N 1.478 6.159 0 CA-C-O 122.637 1.208 . . . . 0.0 110.183 -171.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -50.69 -27.32 6.8 Favored 'General case' 1 C--N 1.487 6.557 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.224 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CE1' HG11 ' A' ' 31' ' ' VAL . 1.4 t60 40.48 -96.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.514 0.673 . . . . 0.0 112.159 171.691 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -165.14 158.2 16.41 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.816 0.817 . . . . 0.0 111.076 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -75.13 168.67 19.52 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.041 0.924 . . . . 0.0 111.158 179.677 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -84.35 8.84 14.78 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.817 0.818 . . . . 0.0 111.033 171.913 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.88 ' HB2' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -86.56 -1.18 57.43 Favored 'General case' 1 C--N 1.481 6.312 0 O-C-N 121.053 -1.029 . . . . 0.0 113.704 -170.378 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.459 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -139.14 23.98 2.55 Favored 'General case' 1 C--N 1.471 5.853 0 CA-C-O 125.593 2.616 . . . . 0.0 107.374 171.687 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -100.71 142.8 15.09 Favored 'Isoleucine or valine' 1 C--N 1.502 7.207 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.785 -165.317 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 21.2 t -105.16 173.2 6.41 Favored 'General case' 1 C--N 1.478 6.152 0 O-C-N 120.464 -1.398 . . . . 0.0 110.886 172.101 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 21.1 m-85 -135.99 153.96 51.23 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 121.309 -0.87 . . . . 0.0 111.938 174.289 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.121 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.66 155.75 39.0 Favored 'General case' 1 C--N 1.481 6.315 0 O-C-N 121.652 -0.655 . . . . 0.0 111.001 172.869 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.35 75.76 Favored 'General case' 1 C--N 1.481 6.311 0 O-C-N 120.638 -1.289 . . . . 0.0 112.061 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.662 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 22.7 t-20 -143.82 152.6 41.41 Favored 'General case' 1 C--N 1.48 6.244 0 O-C-N 121.254 -0.904 . . . . 0.0 111.396 174.202 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -61.61 -20.12 62.99 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 121.236 0.541 . . . . 0.0 111.704 -177.322 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -48.33 -47.2 37.08 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.903 0.859 . . . . 0.0 110.741 177.371 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.763 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.94 -47.53 58.5 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.864 -176.874 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.81 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -50.82 -29.05 10.69 Favored 'General case' 1 C--N 1.481 6.296 0 O-C-N 120.983 -1.073 . . . . 0.0 112.29 172.167 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -75.65 -43.29 48.36 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 121.353 -0.842 . . . . 0.0 110.555 173.926 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -24.14 20.08 Favored 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.282 171.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.18 -39.28 86.41 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.899 1.333 . . . . 0.0 108.947 171.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.36 24.9 6.9 Favored Glycine 1 C--N 1.484 8.77 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 172.303 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.957 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -94.08 -173.43 3.11 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-N 114.895 -0.652 . . . . 0.0 112.142 -171.783 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -96.75 115.8 65.83 Favored Pre-proline 1 C--N 1.48 6.254 0 O-C-N 120.862 -1.149 . . . . 0.0 112.652 -171.736 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' ARG . 36.1 Cg_endo -59.21 104.16 0.2 Allowed 'Trans proline' 1 C--N 1.482 7.568 1 C-N-CA 126.84 5.027 . . . . 0.0 115.179 -179.071 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 17.3 t -106.34 104.0 13.6 Favored 'General case' 1 C--N 1.477 6.142 0 CA-C-O 124.056 1.884 . . . . 0.0 110.078 171.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.46 -80.23 0.33 Allowed 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.328 -171.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp85 -62.12 -74.29 0.09 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 171.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--N 1.478 6.18 0 CA-C-O 122.485 1.136 . . . . 0.0 110.893 168.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.243 0.733 0 CA-C-O 121.42 0.629 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -37.7 62.3 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.813 0.815 . . . . 0.0 110.682 174.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -47.57 -75.09 0.03 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.951 0.882 . . . . 0.0 110.638 172.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -45.59 -42.59 11.35 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.958 0.885 . . . . 0.0 111.237 -174.909 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mtm-85 -54.64 -78.69 0.02 OUTLIER 'General case' 1 C--N 1.478 6.16 0 CA-C-O 124.067 1.889 . . . . 0.0 113.046 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.864 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.6 t-105 -68.17 -25.57 65.32 Favored 'General case' 1 C--N 1.49 6.675 0 O-C-N 120.606 -1.309 . . . . 0.0 110.102 -170.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.67 -41.65 86.65 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 122.087 0.946 . . . . 0.0 109.567 171.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.803 ' HB3' ' O ' ' A' ' 12' ' ' ARG . 10.2 t -45.52 -38.35 6.25 Favored 'General case' 1 C--N 1.484 6.423 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.574 171.026 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.5 t -68.15 -56.32 13.17 Favored 'Isoleucine or valine' 1 C--N 1.494 6.855 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 171.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.0 mt . . . . . 1 C--N 1.477 6.128 0 O-C-N 120.043 -1.661 . . . . 0.0 110.252 -171.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.552 0.691 . . . . 0.0 111.994 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.937 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.3 m -128.52 155.41 40.29 Favored 'Isoleucine or valine' 1 C--N 1.478 6.188 0 O-C-N 121.009 -1.057 . . . . 0.0 110.098 -170.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -137.88 136.13 36.81 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.76 -1.212 . . . . 0.0 110.371 -171.304 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.54 ' HB2' ' OH ' ' A' ' 55' ' ' TYR . . . -119.46 101.77 8.18 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.117 -0.99 . . . . 0.0 112.083 -174.049 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 47' ' ' ALA . 9.6 p -86.13 91.9 3.42 Favored 'Isoleucine or valine' 1 C--N 1.476 6.104 0 CA-C-O 121.423 0.63 . . . . 0.0 109.604 171.294 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.17 31.47 0.56 Allowed 'General case' 1 C--N 1.482 6.361 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -169.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.484 ' HB ' ' ND2' ' A' ' 51' ' ' ASN . 11.4 t -101.46 -42.69 6.17 Favored 'General case' 1 C--N 1.478 6.182 0 O-C-N 120.761 -1.212 . . . . 0.0 109.846 -179.47 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 m -96.31 -14.48 22.55 Favored 'General case' 1 C--N 1.48 6.259 0 CA-C-O 122.247 1.022 . . . . 0.0 110.058 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 67' ' ' ARG . . . 84.5 61.38 1.8 Allowed Glycine 1 C--N 1.481 8.618 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.661 171.069 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -140.48 137.32 36.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.162 0 O-C-N 120.871 -1.37 . . . . 0.0 111.582 169.742 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.973 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -105.78 108.73 20.39 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 121.552 -0.718 . . . . 0.0 109.135 170.815 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 42.3 t -122.5 156.83 33.31 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 120.029 -1.67 . . . . 0.0 112.748 -170.668 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.99 118.78 73.63 Favored Pre-proline 1 C--N 1.476 6.067 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 167.343 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.563 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -17.35 90.13 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.007 1 C-N-CA 127.046 5.164 . . . . 0.0 115.685 -177.65 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -161.33 -80.59 0.04 OUTLIER 'General case' 1 C--N 1.488 6.621 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -0.35 90.79 0.01 OUTLIER 'General case' 1 C--N 1.482 6.37 0 C-N-CA 125.73 1.612 . . . . 0.0 113.483 -168.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -72.03 3.58 4.27 Favored 'General case' 1 C--N 1.487 6.567 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.815 -171.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 46' ' ' HIS . . . -56.76 -170.9 0.0 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 123.057 1.408 . . . . 0.0 109.829 171.505 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -19.5 0.03 OUTLIER 'General case' 1 C--N 1.488 6.604 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.488 172.144 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 44' ' ' ALA . 6.9 t-160 90.81 132.96 0.03 OUTLIER 'General case' 1 C--N 1.478 6.165 0 CA-C-O 122.273 1.035 . . . . 0.0 112.422 170.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -68.21 121.28 15.88 Favored 'General case' 1 C--N 1.483 6.411 0 CA-C-O 121.879 0.847 . . . . 0.0 110.958 177.378 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.503 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.14 157.7 4.53 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.807 0.813 . . . . 0.0 111.049 -179.556 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -85.99 12.0 10.34 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.598 0.713 . . . . 0.0 111.073 171.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.9 -25.12 23.4 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.681 -0.637 . . . . 0.0 112.338 -171.392 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.285 8.2 p-10 -131.53 18.68 4.77 Favored 'General case' 1 C--N 1.469 5.766 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -176.274 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -97.9 145.3 9.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.225 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.387 -163.64 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.53 171.65 7.39 Favored 'General case' 1 C--N 1.477 6.151 0 O-C-N 120.421 -1.425 . . . . 0.0 110.893 172.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.864 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 53.0 m-85 -138.1 149.59 46.09 Favored 'General case' 1 C--N 1.483 6.4 0 CA-C-O 122.674 1.226 . . . . 0.0 112.295 176.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.937 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.81 157.46 43.67 Favored 'General case' 1 C--N 1.482 6.334 0 C-N-CA 123.853 0.861 . . . . 0.0 109.972 -176.748 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.36 -27.01 32.41 Favored 'General case' 1 C--N 1.479 6.203 0 O-C-N 119.874 -1.766 . . . . 0.0 112.572 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.495 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 5.5 t-20 -145.94 153.58 40.97 Favored 'General case' 1 C--N 1.48 6.259 0 O-C-N 121.155 -0.966 . . . . 0.0 111.599 175.514 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' CA ' HG11 ' A' ' 28' ' ' VAL . . . -60.48 -33.44 72.58 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.651 -174.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.495 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 19.6 m -43.7 -33.85 1.35 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 122.001 0.905 . . . . 0.0 110.978 -174.171 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -67.15 -56.24 10.77 Favored 'General case' 1 C--N 1.481 6.318 0 CA-C-O 121.454 0.645 . . . . 0.0 111.295 -179.708 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -56.01 -30.0 61.19 Favored 'General case' 1 C--N 1.48 6.279 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.022 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 63' ' ' ALA . 2.7 pp -78.86 -41.85 28.89 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 121.032 -1.042 . . . . 0.0 110.522 171.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.64 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -52.02 -23.55 5.36 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.895 0.855 . . . . 0.0 110.628 171.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -73.82 -41.55 62.16 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.612 1.196 . . . . 0.0 109.557 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 112.73 33.92 1.97 Allowed Glycine 1 C--N 1.482 8.68 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 173.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.973 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -102.38 -163.3 0.99 Allowed 'General case' 1 C--N 1.48 6.263 0 CA-C-N 114.731 -0.735 . . . . 0.0 111.688 -171.542 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.539 ' NH1' ' HD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -108.57 131.05 22.02 Favored Pre-proline 1 C--N 1.484 6.431 0 O-C-N 120.333 -1.48 . . . . 0.0 110.168 170.368 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 20.4 Cg_endo -83.41 62.67 7.41 Favored 'Trans proline' 1 C--N 1.477 7.317 1 C-N-CA 126.321 4.681 . . . . 0.0 114.097 -179.418 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 16.8 t -41.63 100.51 0.02 OUTLIER 'General case' 1 C--N 1.482 6.345 0 CA-C-O 124.412 2.053 . . . . 0.0 109.791 171.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -79.5 0.34 Allowed 'General case' 1 C--N 1.496 6.953 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.128 -171.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -75.04 0.08 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.169 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.478 6.178 0 CA-C-O 122.821 1.296 . . . . 0.0 110.751 168.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.96 0.885 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -23.62 51.2 Favored 'General case' 1 C--N 1.482 6.33 0 CA-C-O 121.858 0.837 . . . . 0.0 110.699 173.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -56.29 24.09 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.16 0.981 . . . . 0.0 110.82 173.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -33.28 75.67 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 122.214 1.007 . . . . 0.0 111.275 -171.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.99 -70.44 0.1 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 125.098 2.38 . . . . 0.0 112.319 171.737 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HA ' HG23 ' A' ' 16' ' ' VAL . 35.9 t-105 -72.24 -18.11 61.85 Favored 'General case' 1 C--N 1.493 6.81 0 O-C-N 120.546 -1.346 . . . . 0.0 109.834 -171.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -39.01 93.26 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.277 1.037 . . . . 0.0 108.658 170.069 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 4.1 m -44.47 -48.0 10.01 Favored 'General case' 1 C--N 1.487 6.56 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.114 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -63.05 -60.84 2.12 Favored 'Isoleucine or valine' 1 C--N 1.493 6.811 0 C-N-CA 119.195 -1.002 . . . . 0.0 113.162 178.062 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD21 ' HE1' ' A' ' 13' ' ' TRP . 11.5 mt . . . . . 1 C--N 1.476 6.096 0 O-C-N 119.242 -2.161 . . . . 0.0 110.125 -172.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.774 ' CE2' ' HE2' ' A' ' 54' ' ' PHE . 11.4 p90 . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.06 HG23 ' HD2' ' A' ' 55' ' ' TYR . 2.5 m -138.32 156.7 30.51 Favored 'Isoleucine or valine' 1 C--N 1.486 6.521 0 C-N-CA 125.187 1.395 . . . . 0.0 109.35 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' HE1' ' HG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -134.52 142.74 47.11 Favored 'General case' 1 C--N 1.477 6.127 0 O-C-N 120.126 -1.608 . . . . 0.0 109.906 -175.672 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -120.15 100.79 7.4 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 121.436 -0.79 . . . . 0.0 110.846 -174.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.963 HG21 ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.84 104.18 15.3 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-O 121.86 0.838 . . . . 0.0 110.32 176.192 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -83.65 28.3 0.57 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -170.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 31' ' ' VAL . 8.7 t -96.27 -41.48 8.64 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 121.207 -0.933 . . . . 0.0 110.754 175.573 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.5 m -101.67 -5.05 25.49 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 72.87 54.75 6.94 Favored Glycine 1 C--N 1.478 8.463 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.125 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.1 pt -135.72 128.59 47.28 Favored 'Isoleucine or valine' 1 C--N 1.482 6.345 0 CA-C-O 122.409 1.099 . . . . 0.0 112.569 174.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.9 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -106.58 118.34 36.42 Favored 'General case' 1 C--N 1.48 6.251 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.041 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.029 ' HB2' ' O ' ' A' ' 69' ' ' CYS . 14.6 p -159.9 -159.39 0.72 Allowed 'General case' 1 C--N 1.473 5.97 0 O-C-N 120.919 -1.113 . . . . 0.0 110.464 -174.752 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 14.8 mmt85 -94.49 160.9 30.68 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 121.406 0.622 . . . . 0.0 110.021 171.508 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -23.92 162.57 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.267 1 C-N-CA 128.393 6.062 . . . . 0.0 119.733 -179.241 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 46' ' ' HIS . 25.1 p 0.67 117.1 0.0 OUTLIER 'General case' 1 C--N 1.484 6.451 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 -171.418 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 m -92.43 162.97 14.02 Favored 'General case' 1 C--N 1.49 6.687 0 CA-C-O 123.237 1.494 . . . . 0.0 112.745 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -6.34 -59.17 0.0 OUTLIER 'General case' 1 C--N 1.479 6.22 0 C-N-CA 126.011 1.724 . . . . 0.0 114.276 170.809 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -78.24 -174.35 3.66 Favored 'General case' 1 C--N 1.477 6.148 0 CA-C-O 124.052 1.882 . . . . 0.0 112.88 -169.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.742 ' O ' ' HB3' ' A' ' 46' ' ' HIS . 3.9 ttm180 -41.86 -21.32 0.02 OUTLIER 'General case' 1 C--N 1.489 6.672 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.92 172.088 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER 89.02 102.55 0.03 OUTLIER 'General case' 1 C--N 1.478 6.17 0 CA-C-O 122.394 1.092 . . . . 0.0 110.779 171.76 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.963 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -46.46 149.27 0.8 Allowed 'General case' 1 C--N 1.483 6.389 0 CA-C-O 121.953 0.882 . . . . 0.0 110.917 -172.166 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.63 174.13 8.76 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.755 0.788 . . . . 0.0 110.926 -177.847 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.3 ptt180 -83.22 9.28 11.01 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.721 -0.612 . . . . 0.0 111.686 173.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.007 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.4 -10.7 51.31 Favored 'General case' 1 C--N 1.479 6.236 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -170.387 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.861 HD21 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.73 21.19 2.69 Favored 'General case' 1 C--N 1.47 5.836 0 CA-C-O 124.908 2.289 . . . . 0.0 107.557 172.168 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -98.95 143.87 12.64 Favored 'Isoleucine or valine' 1 C--N 1.496 6.945 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.39 -165.125 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.595 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -111.55 177.55 4.62 Favored 'General case' 1 C--N 1.477 6.119 0 O-C-N 120.601 -1.312 . . . . 0.0 110.825 175.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HE2' ' CE2' ' A' ' 27' ' ' PHE . 7.0 m-85 -148.31 141.05 24.6 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.652 1.215 . . . . 0.0 112.796 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.06 ' HD2' HG23 ' A' ' 28' ' ' VAL . 3.4 m-85 -145.97 156.73 43.71 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.672 -174.361 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -9.15 58.19 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 120.179 -1.575 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -162.09 160.27 27.19 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.772 0.796 . . . . 0.0 110.802 171.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -58.97 -31.63 68.92 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.615 0.721 . . . . 0.0 111.269 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.625 ' HA ' HD21 ' A' ' 62' ' ' LEU . 3.4 t -55.56 -28.55 55.58 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.787 0.803 . . . . 0.0 110.845 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.793 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -69.51 -62.19 1.48 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.604 0.716 . . . . 0.0 111.374 173.849 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -54.46 -22.12 11.83 Favored 'General case' 1 C--N 1.48 6.277 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.26 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 59' ' ' SER . 2.4 pp -81.1 -43.39 19.52 Favored 'General case' 1 C--N 1.478 6.159 0 O-C-N 120.815 -1.178 . . . . 0.0 110.69 171.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.67 -26.43 9.16 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.916 0.865 . . . . 0.0 110.537 171.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.82 -40.68 75.76 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-O 122.962 1.363 . . . . 0.0 109.392 171.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 108.61 37.74 2.02 Favored Glycine 1 C--N 1.483 8.722 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 172.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.9 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -107.47 -177.72 3.43 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-N 114.635 -0.783 . . . . 0.0 112.265 -170.808 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.9 116.11 64.97 Favored Pre-proline 1 C--N 1.479 6.204 0 CA-C-O 122.492 1.139 . . . . 0.0 113.18 -170.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -55.29 121.04 9.2 Favored 'Trans proline' 1 C--N 1.485 7.75 1 C-N-CA 127.004 5.136 . . . . 0.0 115.282 -179.574 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 1.029 ' O ' ' HB2' ' A' ' 38' ' ' CYS 0.363 7.3 t -131.25 84.37 2.17 Favored 'General case' 1 C--N 1.476 6.102 0 CA-C-O 127.33 3.443 . . . . 0.0 108.689 171.117 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -90.61 0.0 OUTLIER 'General case' 1 C--N 1.506 7.371 0 O-C-N 118.607 -2.558 . . . . 0.0 112.761 -167.639 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -68.3 0.29 Allowed 'General case' 1 C--N 1.482 6.332 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 171.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 0.5 OUTLIER . . . . . 1 C--N 1.478 6.177 0 CA-C-O 123.712 1.72 . . . . 0.0 110.351 166.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.866 0.841 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.417 ' OD2' ' HD2' ' A' ' 54' ' ' PHE . 1.8 m-20 -55.33 -19.86 9.93 Favored 'General case' 1 C--N 1.481 6.295 0 CA-C-O 121.845 0.831 . . . . 0.0 110.871 172.204 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.22 -49.67 68.8 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.881 0.848 . . . . 0.0 110.867 177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.79 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -67.89 -46.75 70.75 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.473 1.13 . . . . 0.0 110.934 -176.737 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.79 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.8 mpt_? -40.71 -70.27 0.11 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 124.69 2.186 . . . . 0.0 112.214 173.495 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.7 t-105 -72.14 -28.56 63.33 Favored 'General case' 1 C--N 1.489 6.639 0 O-C-N 120.622 -1.298 . . . . 0.0 111.204 -170.537 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.22 -34.25 63.79 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 122.097 0.951 . . . . 0.0 109.572 171.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 1.6 t -58.85 -41.2 86.43 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.647 171.534 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.8 t -53.86 -57.26 5.95 Favored 'Isoleucine or valine' 1 C--N 1.494 6.851 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.017 171.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 1 C--N 1.476 6.097 0 CA-C-O 123.75 1.738 . . . . 0.0 109.084 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.701 ' HE1' ' HG3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.507 -0.684 0 CA-C-O 123.049 1.404 . . . . 0.0 112.925 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.969 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.7 m -128.99 160.35 39.95 Favored 'Isoleucine or valine' 1 C--N 1.483 6.383 0 C-N-CA 124.432 1.093 . . . . 0.0 109.876 -172.144 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -134.88 159.63 40.79 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.523 -1.361 . . . . 0.0 109.895 174.283 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.92 5.57 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 120.971 -1.081 . . . . 0.0 111.6 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.954 HG21 ' HB3' ' A' ' 47' ' ' ALA . 7.7 p -96.35 102.27 13.32 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.007 176.158 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.21 50.65 2.02 Favored 'General case' 1 C--N 1.478 6.153 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.409 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -44.18 8.02 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 120.434 -1.416 . . . . 0.0 110.043 178.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.4 m -112.27 -40.55 4.13 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-O 122.47 1.129 . . . . 0.0 110.013 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.03 72.14 0.14 Allowed Glycine 1 C--N 1.486 8.869 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.368 171.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -137.75 136.3 45.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.235 0 O-C-N 121.077 -1.249 . . . . 0.0 111.482 171.455 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.005 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.4 p90 -112.94 111.58 22.44 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.417 -0.802 . . . . 0.0 109.167 171.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.8 t -127.47 159.19 35.3 Favored 'General case' 1 C--N 1.478 6.167 0 O-C-N 120.242 -1.536 . . . . 0.0 112.79 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.19 122.8 87.51 Favored Pre-proline 1 C--N 1.475 6.046 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 167.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.701 ' HG3' ' HE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -13.69 59.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.887 1 C-N-CA 128.577 6.185 . . . . 0.0 120.083 -176.56 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.48 118.41 0.04 OUTLIER 'General case' 1 C--N 1.48 6.277 0 O-C-N 120.814 -1.179 . . . . 0.0 113.147 171.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 10.3 m -142.43 96.37 2.94 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 120.408 -1.433 . . . . 0.0 109.981 168.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -2.19 -74.04 0.0 OUTLIER 'General case' 1 C--N 1.477 6.109 0 C-N-CA 125.63 1.572 . . . . 0.0 113.085 170.506 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 102.17 0.04 OUTLIER 'General case' 1 C--N 1.483 6.384 0 O-C-N 121.443 -0.785 . . . . 0.0 110.175 172.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.37 98.23 0.01 OUTLIER 'General case' 1 C--N 1.481 6.304 0 CA-C-O 122.824 1.297 . . . . 0.0 110.81 -170.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.33 156.15 0.12 Allowed 'General case' 1 C--N 1.484 6.413 0 CA-C-O 122.644 1.212 . . . . 0.0 112.605 -171.166 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.954 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -54.97 -173.19 0.0 OUTLIER 'General case' 1 C--N 1.483 6.405 0 CA-C-O 121.949 0.88 . . . . 0.0 110.836 173.197 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.873 ' HB2' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.89 176.5 8.85 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.895 0.855 . . . . 0.0 110.863 -176.998 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 14.11 7.46 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.321 1.058 . . . . 0.0 111.4 171.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 48' ' ' LEU . 4.2 mt-10 -88.49 -16.56 32.39 Favored 'General case' 1 C--N 1.483 6.4 0 O-C-N 121.273 -0.892 . . . . 0.0 112.831 -170.414 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.479 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -135.76 24.0 3.37 Favored 'General case' 1 C--N 1.471 5.86 0 CA-C-O 125.443 2.544 . . . . 0.0 107.102 178.725 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.54 153.41 4.68 Favored 'Isoleucine or valine' 1 C--N 1.5 7.121 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.122 -165.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 172.45 7.77 Favored 'General case' 1 C--N 1.476 6.092 0 O-C-N 119.814 -1.804 . . . . 0.0 110.919 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 26.1 m-85 -143.75 132.97 23.1 Favored 'General case' 1 C--N 1.481 6.314 0 CA-C-O 123.006 1.384 . . . . 0.0 111.585 -176.63 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.63 160.66 39.36 Favored 'General case' 1 C--N 1.481 6.283 0 C-N-CA 124.148 0.979 . . . . 0.0 110.073 -171.478 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -28.72 55.96 Favored 'General case' 1 C--N 1.48 6.27 0 O-C-N 119.381 -2.074 . . . . 0.0 112.884 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 11.0 t-20 -146.12 159.11 43.74 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.1 -1.0 . . . . 0.0 112.054 176.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.898 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.04 -8.88 41.54 Favored 'General case' 1 C--N 1.482 6.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.145 173.342 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 1.1 p -66.24 -32.48 73.93 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.296 -0.878 . . . . 0.0 110.752 173.111 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.877 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -70.1 -57.01 5.45 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.441 0.638 . . . . 0.0 111.452 173.507 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -57.25 -16.62 8.83 Favored 'General case' 1 C--N 1.479 6.202 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -49.35 9.81 Favored 'General case' 1 C--N 1.476 6.088 0 O-C-N 120.598 -1.314 . . . . 0.0 109.865 170.511 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.21 -22.11 4.04 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.712 0.768 . . . . 0.0 111.091 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -71.74 -42.35 67.38 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.682 1.23 . . . . 0.0 109.544 172.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.82 36.05 2.87 Favored Glycine 1 C--N 1.483 8.737 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 173.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.005 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.99 -165.46 1.19 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-N 114.601 -0.8 . . . . 0.0 111.716 -171.182 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.78 ' HD3' ' N ' ' A' ' 68' ' ' PRO . 7.4 tpp85 -97.61 117.74 64.99 Favored Pre-proline 1 C--N 1.479 6.209 0 O-C-N 120.728 -1.232 . . . . 0.0 112.302 178.271 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.78 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 55.8 Cg_endo -62.3 103.43 0.31 Allowed 'Trans proline' 1 C--N 1.48 7.495 1 C-N-CA 126.963 5.109 . . . . 0.0 114.915 -178.823 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.569 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 t -113.47 96.72 6.04 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.43 -89.64 0.12 Allowed 'General case' 1 C--N 1.495 6.905 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.946 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -68.75 0.24 Allowed 'General case' 1 C--N 1.477 6.141 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 169.408 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER . . . . . 1 C--N 1.479 6.215 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 169.044 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 121.667 0.746 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -39.38 61.38 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 122.203 1.001 . . . . 0.0 110.95 -178.067 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -29.42 36.8 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.975 -173.287 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -68.72 -47.04 67.36 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 122.443 1.116 . . . . 0.0 110.812 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.787 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -41.7 -71.06 0.09 Allowed 'General case' 1 C--N 1.479 6.212 0 CA-C-O 124.028 1.871 . . . . 0.0 113.131 177.308 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.722 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 50.3 t-105 -77.36 -32.12 54.83 Favored 'General case' 1 C--N 1.484 6.417 0 O-C-N 120.678 -1.264 . . . . 0.0 112.905 -168.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.4 -22.29 19.29 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-O 122.204 1.002 . . . . 0.0 109.444 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.787 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 65.9 m -71.45 -44.33 65.01 Favored 'General case' 1 C--N 1.483 6.404 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.707 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -49.98 -56.84 2.83 Favored 'Isoleucine or valine' 1 C--N 1.496 6.944 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.014 171.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 1 C--N 1.476 6.098 0 CA-C-O 123.489 1.614 . . . . 0.0 109.791 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 CA--C 1.506 -0.742 0 CA-C-O 123.064 1.412 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.4 m -136.5 153.57 31.07 Favored 'Isoleucine or valine' 1 C--N 1.486 6.543 0 O-C-N 120.902 -1.124 . . . . 0.0 109.7 -172.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 40' ' ' PRO . 19.0 p90 -135.72 142.33 45.03 Favored 'General case' 1 C--N 1.477 6.115 0 O-C-N 121.059 -1.025 . . . . 0.0 110.083 -172.339 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -122.14 107.14 11.83 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.378 -0.826 . . . . 0.0 111.3 -175.15 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.052 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.3 p -84.1 106.62 14.6 Favored 'Isoleucine or valine' 1 C--N 1.479 6.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.061 171.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -80.39 10.28 4.81 Favored 'General case' 1 C--N 1.48 6.243 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 31' ' ' VAL . 8.7 t -91.14 -33.24 15.52 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 120.95 -1.094 . . . . 0.0 110.759 178.142 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -102.92 2.68 35.52 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 171.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.78 45.62 93.26 Favored Glycine 1 C--N 1.48 8.569 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 174.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.5 pt -132.6 142.7 41.82 Favored 'Isoleucine or valine' 1 C--N 1.481 6.321 0 CA-C-O 122.156 0.979 . . . . 0.0 112.3 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.998 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.1 p90 -116.99 129.85 56.3 Favored 'General case' 1 C--N 1.479 6.209 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.027 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 7.1 t -146.15 159.68 42.97 Favored 'General case' 1 C--N 1.475 6.045 0 O-C-N 120.944 -1.097 . . . . 0.0 111.682 -171.128 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -74.82 114.48 34.98 Favored Pre-proline 1 C--N 1.477 6.139 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 168.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HA ' ' HE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -20.36 79.58 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.091 1 C-N-CA 127.013 5.142 . . . . 0.0 116.406 -177.613 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.19 14.47 0.0 OUTLIER 'General case' 1 C--N 1.489 6.663 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 174.408 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.9 m -44.27 138.41 3.08 Favored 'General case' 1 C--N 1.478 6.152 0 CA-C-N 122.411 2.369 . . . . 0.0 110.413 171.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 72' ' ' CYS . 4.7 mtp180 -95.53 -3.07 47.24 Favored 'General case' 1 C--N 1.479 6.216 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.72 -178.93 3.87 Favored 'General case' 1 C--N 1.477 6.144 0 CA-C-O 122.946 1.355 . . . . 0.0 109.728 170.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 94.07 0.01 OUTLIER 'General case' 1 C--N 1.489 6.671 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.618 172.389 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -23.69 112.16 0.03 OUTLIER 'General case' 1 C--N 1.477 6.149 0 C-N-CA 124.365 1.066 . . . . 0.0 113.753 -170.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.052 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -40.05 156.65 0.02 OUTLIER 'General case' 1 C--N 1.482 6.339 0 CA-C-O 121.863 0.84 . . . . 0.0 111.043 174.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.641 ' HB3' ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.12 129.48 34.49 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.48 0.657 . . . . 0.0 111.096 -174.662 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -62.97 -15.16 55.02 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.734 0.778 . . . . 0.0 111.602 171.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -86.93 0.62 54.76 Favored 'General case' 1 C--N 1.48 6.273 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.239 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.527 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.26 21.37 2.98 Favored 'General case' 1 C--N 1.47 5.805 0 CA-C-O 125.275 2.464 . . . . 0.0 107.327 171.018 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -100.48 145.29 11.27 Favored 'Isoleucine or valine' 1 C--N 1.497 7.013 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.327 -164.727 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 176.63 5.08 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 120.33 -1.481 . . . . 0.0 110.901 175.352 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.709 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 97.8 m-85 -140.11 148.87 42.33 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 123.384 1.564 . . . . 0.0 113.111 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.976 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -146.93 161.46 40.7 Favored 'General case' 1 C--N 1.482 6.331 0 C-N-CA 124.728 1.211 . . . . 0.0 109.844 -178.742 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.0 54.08 Favored 'General case' 1 C--N 1.48 6.276 0 O-C-N 119.105 -2.247 . . . . 0.0 113.136 172.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 25.9 t-20 -160.96 162.6 31.98 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.008 -1.057 . . . . 0.0 112.063 178.482 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -51.17 -21.76 2.19 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-O 121.706 0.765 . . . . 0.0 111.179 175.217 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -51.62 -56.02 15.95 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.141 0.972 . . . . 0.0 110.984 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.935 ' HG3' ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.82 -41.79 59.26 Favored 'General case' 1 C--N 1.482 6.333 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.263 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -59.03 -23.82 62.29 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 120.812 -1.18 . . . . 0.0 113.573 171.402 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -81.43 -52.65 7.03 Favored 'General case' 1 C--N 1.477 6.135 0 O-C-N 120.633 -1.292 . . . . 0.0 110.57 173.364 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.49 -19.63 3.91 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.534 0.683 . . . . 0.0 110.776 171.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -68.01 -43.77 78.09 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.143 1.449 . . . . 0.0 108.115 171.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 109.74 36.72 1.99 Allowed Glycine 1 C--N 1.486 8.88 0 CA-C-N 113.834 -1.53 . . . . 0.0 109.394 171.674 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.998 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -105.45 -174.09 2.45 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.709 -0.746 . . . . 0.0 112.472 -171.01 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.912 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 1.4 tpp85 -94.79 118.39 66.78 Favored Pre-proline 1 C--N 1.479 6.203 0 O-C-N 121.134 -0.979 . . . . 0.0 111.232 -172.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.912 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 78.9 Cg_endo -65.84 91.43 0.25 Allowed 'Trans proline' 1 C--N 1.486 7.791 1 C-N-CA 127.771 5.647 . . . . 0.0 119.828 -177.882 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.977 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 37.4 t -103.31 93.92 5.23 Favored 'General case' 1 C--N 1.479 6.239 0 CA-C-O 125.011 2.338 . . . . 0.0 110.215 170.037 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -122.14 31.41 6.19 Favored 'General case' 1 C--N 1.5 7.123 0 CA-C-O 123.011 1.386 . . . . 0.0 111.371 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.49 47.22 0.0 OUTLIER 'General case' 1 C--N 1.482 6.362 0 CA-C-O 121.927 0.87 . . . . 0.0 109.419 -176.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.534 ' HB3' ' HG3' ' A' ' 43' ' ' ARG 0.397 85.9 m . . . . . 1 C--N 1.477 6.14 1 CA-C-O 131.719 5.533 . . . . 0.0 107.227 -167.29 . . . . . . . . 4 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 121.941 0.877 . . . . 0.0 111.86 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -22.51 32.92 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 121.772 0.796 . . . . 0.0 111.013 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.39 -41.9 96.42 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.536 0.684 . . . . 0.0 110.985 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -46.46 68.28 Favored 'General case' 1 C--N 1.48 6.244 0 CA-C-O 122.547 1.165 . . . . 0.0 111.111 -178.291 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' CA ' ' HE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -41.01 -68.28 0.19 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 125.195 2.426 . . . . 0.0 112.59 174.616 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.072 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 44.6 t-105 -75.58 -17.52 60.01 Favored 'General case' 1 C--N 1.491 6.732 0 O-C-N 120.432 -1.418 . . . . 0.0 110.686 -170.363 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -65.56 -32.76 74.53 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.473 1.13 . . . . 0.0 108.911 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.537 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -55.96 -40.05 72.66 Favored 'General case' 1 C--N 1.483 6.379 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.194 170.55 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.253 2.4 t -64.95 -57.91 9.24 Favored 'Isoleucine or valine' 1 C--N 1.499 7.085 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.254 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD21 ' HE1' ' A' ' 13' ' ' TRP . 15.2 mt . . . . . 1 C--N 1.477 6.12 0 O-C-N 119.279 -2.138 . . . . 0.0 112.315 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.505 -0.773 0 CA-C-O 122.136 0.97 . . . . 0.0 112.782 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.737 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -150.84 159.54 4.42 Favored 'Isoleucine or valine' 1 C--N 1.48 6.279 0 O-C-N 121.316 -0.865 . . . . 0.0 111.096 -169.006 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -138.83 132.13 30.05 Favored 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 178.822 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -118.45 107.98 14.47 Favored 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.836 0.827 . . . . 0.0 111.563 -172.023 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.105 HG21 ' HB1' ' A' ' 47' ' ' ALA . 7.3 p -95.28 96.78 6.08 Favored 'Isoleucine or valine' 1 C--N 1.478 6.196 0 O-C-N 121.913 -0.492 . . . . 0.0 110.407 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -86.15 79.34 9.15 Favored 'General case' 1 C--N 1.48 6.277 0 O-C-N 121.273 -0.892 . . . . 0.0 112.29 -171.413 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.52 -54.21 0.61 Allowed 'General case' 1 C--N 1.478 6.165 0 CA-C-O 121.9 0.857 . . . . 0.0 110.574 173.023 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.91 3.1 49.74 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 171.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.49 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.38 51.14 6.85 Favored Glycine 1 C--N 1.479 8.504 0 O-C-N 121.364 -0.835 . . . . 0.0 111.566 172.036 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -131.85 132.67 61.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.238 0 O-C-N 121.458 -1.025 . . . . 0.0 110.913 171.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.128 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.1 p90 -119.96 146.43 45.84 Favored 'General case' 1 C--N 1.477 6.135 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.412 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.616 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 7.6 t -156.74 157.92 35.97 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -168.12 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 105.01 2.08 Favored Pre-proline 1 C--N 1.475 6.052 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 166.745 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -15.36 83.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.023 1 C-N-CA 127.391 5.394 . . . . 0.0 118.17 -176.633 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 26.06 0.0 OUTLIER 'General case' 1 C--N 1.489 6.647 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 172.021 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.04 118.92 6.87 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-N 122.417 2.371 . . . . 0.0 109.209 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -76.98 -34.02 57.58 Favored 'General case' 1 C--N 1.479 6.224 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -168.322 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -170.88 0.01 OUTLIER 'General case' 1 C--N 1.479 6.205 0 O-C-N 120.567 -1.333 . . . . 0.0 109.34 170.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.6 87.49 0.01 OUTLIER 'General case' 1 C--N 1.488 6.601 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.686 171.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -68.29 155.05 40.54 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.58 1.181 . . . . 0.0 113.288 -170.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.105 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -49.58 147.52 3.43 Favored 'General case' 1 C--N 1.485 6.477 0 CA-C-O 121.795 0.807 . . . . 0.0 111.006 -172.257 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD22 ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -79.23 159.07 27.47 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.736 0.779 . . . . 0.0 110.627 172.064 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.05 13.16 9.77 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.337 0.589 . . . . 0.0 110.872 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.678 ' OE2' HD22 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -87.88 -25.52 23.22 Favored 'General case' 1 C--N 1.479 6.232 0 O-C-N 121.653 -0.655 . . . . 0.0 112.467 -171.022 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.516 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.28 8.6 p-10 -130.39 18.69 5.33 Favored 'General case' 1 C--N 1.468 5.72 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -172.965 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -98.58 145.45 9.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.473 -163.415 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -116.68 -177.52 3.21 Favored 'General case' 1 C--N 1.477 6.138 0 O-C-N 120.235 -1.54 . . . . 0.0 110.881 173.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.072 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.6 m-85 -150.46 133.03 15.74 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.152 -0.968 . . . . 0.0 112.188 -176.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.881 ' HB3' ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -135.37 154.33 51.53 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 121.714 -0.616 . . . . 0.0 110.261 -179.67 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -17.62 61.4 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.419 -1.425 . . . . 0.0 111.918 -175.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.19 166.6 29.37 Favored 'General case' 1 C--N 1.481 6.319 0 CA-C-O 122.837 1.303 . . . . 0.0 112.296 171.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.81 -54.46 9.79 Favored 'General case' 1 C--N 1.483 6.371 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t -48.52 -19.45 0.33 Allowed 'General case' 1 C--N 1.479 6.227 0 O-C-N 121.067 -1.021 . . . . 0.0 112.862 -170.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.881 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -77.59 -69.04 0.56 Allowed 'General case' 1 C--N 1.477 6.144 0 O-C-N 121.054 -1.028 . . . . 0.0 111.166 171.975 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.821 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -50.25 -15.72 0.26 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -86.88 -44.36 11.74 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 174.804 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -30.36 25.7 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.801 0.81 . . . . 0.0 110.644 171.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.23 89.12 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.875 1.322 . . . . 0.0 108.746 171.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 100.33 46.2 1.88 Allowed Glycine 1 C--N 1.485 8.846 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 171.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.128 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -110.15 -178.14 3.44 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-N 115.089 -0.555 . . . . 0.0 112.15 -171.113 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 98.43 3.57 Favored Pre-proline 1 C--N 1.478 6.185 0 O-C-N 120.936 -1.103 . . . . 0.0 111.242 -171.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.611 ' HD3' ' HE1' ' A' ' 37' ' ' PHE . 54.9 Cg_endo -73.13 103.82 1.67 Allowed 'Trans proline' 1 C--N 1.483 7.624 1 C-N-CA 127.066 5.177 . . . . 0.0 121.415 -177.83 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 38' ' ' CYS 0.26 28.2 p -104.39 93.68 4.93 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 124.191 1.948 . . . . 0.0 108.877 166.241 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 9.7 pttm -65.59 -47.5 75.51 Favored 'General case' 1 C--N 1.496 6.962 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.652 -178.57 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -78.58 -79.41 0.13 Allowed 'General case' 1 C--N 1.477 6.137 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 168.933 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' CYS . 0.8 OUTLIER . . . . . 1 C--N 1.478 6.167 0 CA-C-O 122.294 1.045 . . . . 0.0 111.009 169.387 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.237 0.442 0 CA-C-O 122.008 0.908 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -15.87 6.76 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.913 177.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -50.23 41.88 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.793 0.806 . . . . 0.0 110.929 174.598 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -47.94 75.16 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 123.039 1.399 . . . . 0.0 110.521 177.291 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 12' ' ' ARG . 7.5 mmt85 -42.08 -71.27 0.08 Allowed 'General case' 1 C--N 1.48 6.245 0 CA-C-O 124.491 2.091 . . . . 0.0 113.697 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.639 ' HE1' HD21 ' A' ' 17' ' ' LEU . 59.9 t-105 -78.52 -27.3 46.0 Favored 'General case' 1 C--N 1.485 6.478 0 O-C-N 120.275 -1.516 . . . . 0.0 111.615 -169.057 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -57.63 -26.06 61.04 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 122.544 1.164 . . . . 0.0 109.041 170.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 t -67.77 -41.88 82.58 Favored 'General case' 1 C--N 1.485 6.481 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.143 172.076 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.255 2.5 t -59.49 -57.53 11.13 Favored 'Isoleucine or valine' 1 C--N 1.494 6.863 0 CA-C-O 121.964 0.888 . . . . 0.0 112.493 171.694 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD21 ' HE1' ' A' ' 13' ' ' TRP . 40.2 mt . . . . . 1 C--N 1.476 6.096 0 O-C-N 119.291 -2.131 . . . . 0.0 109.867 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 15' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.212 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.969 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -106.49 168.46 2.95 Favored 'Isoleucine or valine' 1 C--N 1.481 6.309 0 O-C-N 120.407 -1.433 . . . . 0.0 110.831 -177.482 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HD2' ' CG2' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -140.17 134.69 31.55 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.777 -0.577 . . . . 0.0 110.282 175.913 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.18 90.76 3.32 Favored 'General case' 1 C--N 1.478 6.195 0 O-C-N 121.309 -0.869 . . . . 0.0 111.287 -171.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.053 HG21 ' HB3' ' A' ' 47' ' ' ALA . 8.6 p -74.73 99.87 1.54 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.179 0 CA-C-O 121.548 0.69 . . . . 0.0 110.155 175.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 10.2 ttm180 -85.87 37.42 0.71 Allowed 'General case' 1 C--N 1.481 6.321 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.3 m -114.32 -38.08 4.19 Favored 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.216 -0.927 . . . . 0.0 110.496 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -97.53 4.14 50.46 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 171.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' HE1' ' A' ' 66' ' ' PHE . . . 62.65 47.69 87.23 Favored Glycine 1 C--N 1.481 8.589 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 172.529 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.738 HG13 HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -134.03 136.22 53.86 Favored 'Isoleucine or valine' 1 C--N 1.481 6.325 0 CA-C-O 122.371 1.082 . . . . 0.0 112.141 177.426 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.044 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.2 p90 -119.59 125.1 47.97 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.367 172.255 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.893 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -154.07 161.06 42.18 Favored 'General case' 1 C--N 1.476 6.108 0 O-C-N 120.515 -1.366 . . . . 0.0 111.209 -170.91 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 119.54 77.46 Favored Pre-proline 1 C--N 1.477 6.146 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 170.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -21.26 91.93 0.0 OUTLIER 'Trans proline' 2 C--N 1.475 7.207 1 C-N-CA 127.248 5.299 . . . . 0.0 116.166 -178.216 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -174.53 -21.03 0.01 OUTLIER 'General case' 1 C--N 1.489 6.639 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -36.1 102.42 0.02 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-N 121.057 1.753 . . . . 0.0 112.703 -171.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 2.8 mtt180 -78.36 -0.94 31.0 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.586 -172.219 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.59 -173.59 0.01 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.941 1.353 . . . . 0.0 110.32 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.9 -27.92 0.02 OUTLIER 'General case' 1 C--N 1.489 6.657 0 CA-C-N 114.084 -1.416 . . . . 0.0 110.457 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 59.19 92.36 0.04 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.45 1.119 . . . . 0.0 110.786 171.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.053 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -60.9 178.47 0.24 Allowed 'General case' 1 C--N 1.483 6.382 0 CA-C-O 121.936 0.874 . . . . 0.0 110.929 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.957 HD13 ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -82.2 166.28 19.74 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.714 0.769 . . . . 0.0 110.761 -173.527 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -84.14 11.04 8.73 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.302 0.572 . . . . 0.0 111.499 174.707 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.957 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.19 -13.86 42.76 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.5 -0.75 . . . . 0.0 112.926 -171.028 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.639 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.273 7.9 p-10 -131.48 15.75 4.95 Favored 'General case' 1 C--N 1.468 5.743 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -174.636 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.737 ' CG2' ' HD2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -96.9 132.33 41.6 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 -162.54 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.9 t -113.62 127.86 56.22 Favored 'General case' 1 C--N 1.478 6.19 0 O-C-N 120.559 -1.338 . . . . 0.0 110.818 -173.517 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -101.49 138.9 37.89 Favored 'General case' 1 C--N 1.481 6.283 0 CA-C-O 122.954 1.359 . . . . 0.0 112.433 -171.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.0 m-85 -125.85 165.17 19.18 Favored 'General case' 1 C--N 1.479 6.211 0 C-N-CA 124.705 1.202 . . . . 0.0 110.47 174.054 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.26 43.65 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 119.127 -2.233 . . . . 0.0 112.566 170.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 17.9 t-20 -148.19 157.75 43.68 Favored 'General case' 1 C--N 1.48 6.278 0 O-C-N 120.798 -1.189 . . . . 0.0 111.834 173.09 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.817 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -70.38 0.02 7.35 Favored 'General case' 1 C--N 1.482 6.34 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.833 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.1 t -59.32 -51.15 71.18 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 122.051 0.929 . . . . 0.0 110.796 172.1 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 3.6 pt-20 -72.06 -36.04 69.47 Favored 'General case' 1 C--N 1.482 6.352 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 176.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.936 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -59.74 -41.24 90.51 Favored 'General case' 1 C--N 1.479 6.214 0 O-C-N 120.611 -1.306 . . . . 0.0 113.69 172.277 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -73.67 -51.77 15.56 Favored 'General case' 1 C--N 1.477 6.148 0 O-C-N 121.156 -0.965 . . . . 0.0 110.2 177.839 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.16 -22.13 6.01 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.678 0.752 . . . . 0.0 110.983 171.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.27 -39.41 86.06 Favored 'General case' 1 C--N 1.481 6.29 0 CA-C-O 122.814 1.292 . . . . 0.0 109.162 172.077 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.43 29.32 4.52 Favored Glycine 1 C--N 1.485 8.834 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 173.248 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.044 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -101.98 -173.98 2.47 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-N 114.618 -0.791 . . . . 0.0 111.871 -171.775 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.504 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -94.91 98.83 3.54 Favored Pre-proline 1 C--N 1.479 6.239 0 O-C-N 120.343 -1.473 . . . . 0.0 112.195 -171.61 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 71.3 Cg_exo -56.76 109.41 0.44 Allowed 'Trans proline' 1 C--N 1.482 7.603 1 C-N-CA 127.675 5.583 . . . . 0.0 118.859 -178.625 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.78 115.52 24.63 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.463 1.601 . . . . 0.0 110.601 168.753 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -119.78 25.24 10.11 Favored 'General case' 1 C--N 1.489 6.633 0 CA-C-O 122.51 1.148 . . . . 0.0 110.112 170.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -174.52 46.02 0.01 OUTLIER 'General case' 1 C--N 1.481 6.322 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.842 -172.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.265 95.5 m . . . . . 1 C--N 1.482 6.356 1 CA-C-O 131.109 5.242 . . . . 0.0 107.359 -170.255 . . . . . . . . 3 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.786 0.803 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -25.11 66.8 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.859 0.838 . . . . 0.0 110.879 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.22 -46.01 18.71 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.973 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -43.74 58.76 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 122.476 1.131 . . . . 0.0 110.795 -177.124 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -40.54 -70.75 0.1 Allowed 'General case' 1 C--N 1.481 6.289 0 CA-C-O 124.974 2.321 . . . . 0.0 111.801 172.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.788 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 26.3 t-105 -72.23 -28.23 63.03 Favored 'General case' 1 C--N 1.489 6.672 0 O-C-N 120.471 -1.393 . . . . 0.0 111.34 -170.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.32 -35.56 62.81 Favored 'General case' 1 C--N 1.483 6.406 0 CA-C-O 122.209 1.004 . . . . 0.0 109.299 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.567 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 1.2 t -57.96 -41.25 82.5 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.442 171.481 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.788 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.5 t -59.54 -49.74 82.54 Favored 'Isoleucine or valine' 1 C--N 1.492 6.799 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 172.424 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 HD21 ' HE1' ' A' ' 13' ' ' TRP . 8.1 mt . . . . . 1 C--N 1.474 6.001 0 CA-C-O 123.827 1.775 . . . . 0.0 109.704 178.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.567 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -105.68 161.58 5.21 Favored 'Isoleucine or valine' 1 C--N 1.482 6.342 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -176.301 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 1.3 p90 -140.4 133.56 29.56 Favored 'General case' 1 C--N 1.483 6.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.354 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.6 102.86 7.82 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 121.368 -0.832 . . . . 0.0 110.937 -172.028 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.073 HG21 ' HB1' ' A' ' 47' ' ' ALA . 5.5 p -88.81 100.32 10.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.192 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 174.756 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 41.7 ttp180 -88.23 59.18 5.12 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.464 0.65 . . . . 0.0 112.352 -173.581 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.33 -45.11 2.35 Favored 'General case' 1 C--N 1.479 6.21 0 O-C-N 120.405 -1.434 . . . . 0.0 110.638 171.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -100.33 -19.07 16.49 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 171.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.9 61.44 1.15 Allowed Glycine 1 C--N 1.48 8.537 0 O-C-N 121.952 -0.468 . . . . 0.0 112.784 172.005 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -135.03 133.21 53.5 Favored 'Isoleucine or valine' 1 C--N 1.478 6.189 0 O-C-N 121.16 -1.2 . . . . 0.0 110.714 171.411 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.007 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.2 p90 -113.41 115.1 27.55 Favored 'General case' 1 C--N 1.477 6.15 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.592 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 53.1 t -135.01 160.77 37.28 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 120.212 -1.555 . . . . 0.0 111.918 -170.137 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -75.09 107.84 4.57 Favored Pre-proline 1 C--N 1.475 6.051 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 167.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.655 ' HB3' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -17.86 93.04 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.084 1 C-N-CA 126.959 5.106 . . . . 0.0 117.322 -176.738 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 p -168.29 -56.82 0.02 OUTLIER 'General case' 1 C--N 1.49 6.688 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 1.9 m 0.49 82.8 0.0 OUTLIER 'General case' 1 C--N 1.483 6.411 0 CA-C-O 123.931 1.824 . . . . 0.0 113.871 -168.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 0.36 -81.46 0.0 OUTLIER 'General case' 1 C--N 1.485 6.472 0 C-N-CA 126.53 1.932 . . . . 0.0 115.063 171.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.2 179.62 0.1 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 122.673 1.225 . . . . 0.0 110.892 -170.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.81 91.96 0.01 OUTLIER 'General case' 1 C--N 1.487 6.584 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.518 176.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -161.76 0.04 OUTLIER 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.942 0.877 . . . . 0.0 111.557 -171.39 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.073 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -83.71 166.97 17.62 Favored 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.852 0.834 . . . . 0.0 110.847 -172.633 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -82.52 157.51 23.52 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 172.234 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HG2' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -75.91 -1.85 27.44 Favored 'General case' 1 C--N 1.482 6.365 0 O-C-N 121.663 -0.648 . . . . 0.0 111.409 175.886 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -24.92 56.74 Favored 'General case' 1 C--N 1.478 6.188 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -169.147 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.802 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.257 5.7 p-10 -131.42 17.75 4.87 Favored 'General case' 1 C--N 1.467 5.71 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -171.915 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.719 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.93 150.0 4.93 Favored 'Isoleucine or valine' 1 C--N 1.478 6.184 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.195 -163.226 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.3 t -129.99 127.88 40.91 Favored 'General case' 1 C--N 1.476 6.092 0 CA-C-N 120.953 1.706 . . . . 0.0 111.98 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -103.19 132.71 49.24 Favored 'General case' 1 C--N 1.483 6.386 0 CA-C-O 122.637 1.208 . . . . 0.0 111.907 -172.076 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.011 ' HB2' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -123.34 164.55 18.6 Favored 'General case' 1 C--N 1.478 6.165 0 C-N-CA 124.373 1.069 . . . . 0.0 110.624 172.682 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.55 -28.76 46.08 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 119.521 -1.987 . . . . 0.0 112.545 170.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.755 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 12.6 t-20 -145.7 147.2 31.69 Favored 'General case' 1 C--N 1.479 6.205 0 O-C-N 121.062 -1.024 . . . . 0.0 111.669 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.07 -36.01 17.31 Favored 'General case' 1 C--N 1.48 6.267 0 O-C-N 121.744 -0.598 . . . . 0.0 111.85 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.49 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.7 m -42.55 -46.88 5.04 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.066 0.936 . . . . 0.0 111.621 -171.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.2 pt-20 -70.67 -39.98 73.24 Favored 'General case' 1 C--N 1.48 6.268 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.279 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -60.96 -32.64 72.17 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 120.78 -1.2 . . . . 0.0 113.798 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -76.68 -42.42 41.73 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 120.708 -1.245 . . . . 0.0 110.486 171.744 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . . . -53.83 -26.2 23.14 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.035 0.922 . . . . 0.0 110.413 171.126 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.75 -38.16 83.09 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-O 122.867 1.317 . . . . 0.0 109.234 171.706 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.47 34.4 3.36 Favored Glycine 1 C--N 1.484 8.796 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 172.413 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -104.03 -175.01 2.68 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.847 -0.677 . . . . 0.0 112.187 -171.423 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.77 105.84 26.16 Favored Pre-proline 1 C--N 1.48 6.257 0 CA-C-O 122.3 1.048 . . . . 0.0 112.727 -171.804 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 59.8 Cg_exo -50.11 114.54 1.45 Allowed 'Trans proline' 1 C--N 1.483 7.652 1 C-N-CA 126.89 5.06 . . . . 0.0 114.908 179.489 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 12.9 t -125.79 97.68 5.24 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.411 2.053 . . . . 0.0 109.313 171.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -76.45 -92.6 0.03 OUTLIER 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.902 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -69.95 0.15 Allowed 'General case' 1 C--N 1.478 6.154 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 171.024 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER . . . . . 1 C--N 1.479 6.226 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 168.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.75 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.488 0 CA-C-O 121.863 0.839 . . . . 0.0 111.097 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -25.51 23.81 Favored 'General case' 1 C--N 1.48 6.279 0 CA-C-O 121.837 0.827 . . . . 0.0 110.804 172.318 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -49.35 63.25 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.904 0.859 . . . . 0.0 110.885 -176.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 3.6 mt-30 -63.12 -44.13 96.47 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.505 1.145 . . . . 0.0 110.722 -178.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.92 -73.4 0.05 OUTLIER 'General case' 1 C--N 1.479 6.206 0 CA-C-O 124.757 2.218 . . . . 0.0 112.736 174.059 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.728 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 50.2 t-105 -75.54 -27.53 58.7 Favored 'General case' 1 C--N 1.488 6.598 0 O-C-N 120.354 -1.466 . . . . 0.0 111.338 -169.2 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.52 -27.16 69.08 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.207 1.003 . . . . 0.0 108.896 170.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.476 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -57.52 -36.97 72.25 Favored 'General case' 1 C--N 1.486 6.505 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.396 170.948 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.684 HG13 ' HB3' ' A' ' 40' ' ' PRO . 1.8 t -73.9 -60.75 2.1 Favored 'Isoleucine or valine' 1 C--N 1.5 7.133 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 171.509 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HG ' ' NE1' ' A' ' 13' ' ' TRP . 8.8 mt . . . . . 1 C--N 1.477 6.118 0 O-C-N 119.286 -2.134 . . . . 0.0 108.92 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.476 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 10.2 p90 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 121.249 0.547 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.861 HG22 ' HB2' ' A' ' 55' ' ' TYR . 4.2 m -115.12 157.91 15.63 Favored 'Isoleucine or valine' 1 C--N 1.477 6.125 0 O-C-N 120.695 -1.253 . . . . 0.0 109.954 -171.05 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 14.0 p90 -137.88 132.52 32.61 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 119.999 -1.688 . . . . 0.0 110.289 -176.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -114.92 92.66 4.01 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.119 -0.988 . . . . 0.0 111.346 -172.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 47' ' ' ALA . 7.2 p -76.05 101.77 2.7 Favored 'Isoleucine or valine' 1 C--N 1.479 6.211 0 O-C-N 121.719 -0.613 . . . . 0.0 110.805 173.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 90.9 mtt-85 -87.76 44.56 1.2 Allowed 'General case' 1 C--N 1.478 6.188 0 O-C-N 121.708 -0.62 . . . . 0.0 112.61 -173.62 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.424 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 1.4 m -108.66 -47.85 3.41 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.783 -1.198 . . . . 0.0 110.518 -179.058 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.6 m -106.66 -17.65 14.17 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.634 0.731 . . . . 0.0 110.679 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 65.02 0.83 Allowed Glycine 1 C--N 1.48 8.536 0 O-C-N 121.914 -0.491 . . . . 0.0 113.18 171.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -135.51 125.94 43.45 Favored 'Isoleucine or valine' 1 C--N 1.48 6.259 0 O-C-N 121.081 -1.247 . . . . 0.0 112.529 171.322 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.894 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -100.16 105.14 16.71 Favored 'General case' 1 C--N 1.477 6.11 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.394 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.783 ' HB2' ' CB ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -124.33 152.27 43.32 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 120.001 -1.687 . . . . 0.0 114.708 -167.837 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.93 107.61 5.16 Favored Pre-proline 1 C--N 1.476 6.084 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 167.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.706 ' HD3' ' HD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -21.04 88.99 0.0 OUTLIER 'Trans proline' 1 C--N 1.473 7.096 1 C-N-CA 127.748 5.632 . . . . 0.0 118.133 -177.448 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.95 17.53 0.0 OUTLIER 'General case' 1 C--N 1.484 6.442 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 171.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.62 103.25 0.06 Allowed 'General case' 1 C--N 1.482 6.348 0 CA-C-N 122.05 2.205 . . . . 0.0 109.675 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.39 -17.29 61.82 Favored 'General case' 1 C--N 1.478 6.155 0 C-N-CA 123.237 0.615 . . . . 0.0 112.634 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.77 -175.57 5.64 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 122.395 1.093 . . . . 0.0 110.087 171.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -53.33 89.41 0.01 OUTLIER 'General case' 1 C--N 1.486 6.523 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.363 172.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.86 -163.91 0.79 Allowed 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.027 0.918 . . . . 0.0 111.989 -171.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -102.03 161.03 13.99 Favored 'General case' 1 C--N 1.481 6.296 0 CA-C-O 121.936 0.874 . . . . 0.0 111.289 -172.037 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -85.78 159.19 19.81 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.592 0.71 . . . . 0.0 110.827 179.348 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.2 tmm_? -74.18 -5.34 41.26 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.601 0.715 . . . . 0.0 111.686 176.248 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 2.0 mm-40 -72.65 -24.26 61.01 Favored 'General case' 1 C--N 1.479 6.211 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -168.575 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.76 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.266 6.9 p-10 -130.36 17.26 5.44 Favored 'General case' 1 C--N 1.467 5.675 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -175.49 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.752 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -97.63 139.04 20.81 Favored 'Isoleucine or valine' 1 C--N 1.479 6.22 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.61 -162.69 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -100.82 172.68 6.91 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.874 -1.141 . . . . 0.0 110.789 175.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.728 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 87.3 m-85 -140.6 138.15 34.19 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-O 122.853 1.311 . . . . 0.0 112.247 177.143 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.922 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -136.01 163.08 31.11 Favored 'General case' 1 C--N 1.478 6.176 0 C-N-CA 124.426 1.091 . . . . 0.0 110.003 174.299 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.61 56.35 Favored 'General case' 1 C--N 1.48 6.262 0 O-C-N 119.323 -2.111 . . . . 0.0 112.657 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 23.7 t-20 -142.24 150.3 40.75 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.002 0.906 . . . . 0.0 111.62 -176.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -66.47 -19.18 65.72 Favored 'General case' 1 C--N 1.482 6.349 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.172 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.45 -31.98 71.95 Favored 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.254 -0.904 . . . . 0.0 110.649 177.956 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -67.43 -58.18 5.22 Favored 'General case' 1 C--N 1.481 6.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.213 173.547 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.922 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -51.17 -25.62 5.62 Favored 'General case' 1 C--N 1.481 6.286 0 O-C-N 121.646 -0.659 . . . . 0.0 112.59 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -77.42 -43.91 30.93 Favored 'General case' 1 C--N 1.478 6.172 0 O-C-N 121.21 -0.931 . . . . 0.0 110.837 173.045 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.94 -34.86 13.71 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.571 0.7 . . . . 0.0 111.47 171.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.81 81.19 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.417 1.103 . . . . 0.0 109.82 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 97.86 36.73 4.66 Favored Glycine 1 C--N 1.484 8.772 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 175.42 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.894 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.12 -172.13 2.12 Favored 'General case' 1 C--N 1.48 6.243 0 O-C-N 122.329 -0.512 . . . . 0.0 111.901 -171.877 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 2.1 tpt180 -96.2 105.03 19.4 Favored Pre-proline 1 C--N 1.478 6.181 0 O-C-N 120.67 -1.269 . . . . 0.0 111.958 -171.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.593 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 43.9 Cg_endo -60.2 98.27 0.12 Allowed 'Trans proline' 1 C--N 1.481 7.534 1 C-N-CA 127.109 5.206 . . . . 0.0 116.713 -178.85 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.783 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -80.11 101.9 9.03 Favored 'General case' 1 C--N 1.481 6.287 0 O-C-N 120.761 -1.212 . . . . 0.0 110.049 171.085 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.22 -89.45 0.03 OUTLIER 'General case' 1 C--N 1.486 6.502 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.634 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -62.44 -73.23 0.11 Allowed 'General case' 1 C--N 1.477 6.15 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.851 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--N 1.48 6.247 0 CA-C-O 122.799 1.285 . . . . 0.0 110.667 169.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.813 0.815 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -22.31 0.55 Allowed 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.872 0.844 . . . . 0.0 110.722 171.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.21 -54.32 18.59 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.952 0.882 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 2.9 mt-30 -65.88 -36.88 84.65 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 122.739 1.257 . . . . 0.0 110.591 -176.752 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' SER . 5.7 mmt-85 -45.77 -70.95 0.08 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 125.264 2.459 . . . . 0.0 112.431 171.534 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.634 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.8 t-105 -71.36 -22.37 61.91 Favored 'General case' 1 C--N 1.494 6.879 0 O-C-N 120.361 -1.462 . . . . 0.0 109.746 -171.224 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -39.88 83.3 Favored 'General case' 1 C--N 1.483 6.387 0 CA-C-O 121.825 0.822 . . . . 0.0 108.893 170.61 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.515 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 5.2 m -42.89 -55.48 3.69 Favored 'General case' 1 C--N 1.487 6.555 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.634 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -60.43 -53.61 46.43 Favored 'Isoleucine or valine' 1 C--N 1.495 6.914 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.002 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.6 mt . . . . . 1 C--N 1.477 6.119 0 CA-C-O 123.885 1.802 . . . . 0.0 109.603 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HZ ' ' HB2' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.051 HG23 ' HD1' ' A' ' 55' ' ' TYR . 4.9 m -146.41 152.28 13.74 Favored 'Isoleucine or valine' 1 C--N 1.488 6.624 0 O-C-N 121.025 -1.047 . . . . 0.0 109.725 -171.817 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.964 ' HE1' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -132.24 145.07 51.07 Favored 'General case' 1 C--N 1.476 6.08 0 O-C-N 120.67 -1.269 . . . . 0.0 109.716 -171.938 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.23 100.82 6.24 Favored 'General case' 1 C--N 1.477 6.133 0 CA-C-O 121.846 0.832 . . . . 0.0 110.801 -171.51 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.4 p -86.62 103.15 12.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.882 0.848 . . . . 0.0 110.341 175.172 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.52 23.74 0.5 Allowed 'General case' 1 C--N 1.483 6.393 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.572 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -107.42 -35.19 6.84 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 120.778 -1.201 . . . . 0.0 110.766 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -97.48 -2.89 41.0 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.117 0.484 . . . . 0.0 111.218 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.68 43.65 96.05 Favored Glycine 1 C--N 1.48 8.534 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.3 pt -136.13 141.47 41.49 Favored 'Isoleucine or valine' 1 C--N 1.48 6.272 0 O-C-N 121.602 -0.94 . . . . 0.0 111.733 172.251 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.124 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.7 p90 -114.93 124.37 51.51 Favored 'General case' 1 C--N 1.478 6.168 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.424 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.964 ' HB3' ' HE1' ' A' ' 29' ' ' PHE . 41.8 t -138.03 162.92 32.86 Favored 'General case' 1 C--N 1.476 6.068 0 O-C-N 120.531 -1.356 . . . . 0.0 112.824 -170.022 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.48 121.79 78.44 Favored Pre-proline 1 C--N 1.475 6.048 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 165.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -18.79 99.9 0.01 OUTLIER 'Trans proline' 2 C--N 1.47 6.944 1 C-N-CA 127.387 5.391 . . . . 0.0 116.693 -177.579 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 p -178.15 -58.32 0.01 OUTLIER 'General case' 1 C--N 1.487 6.548 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m 0.57 90.09 0.01 OUTLIER 'General case' 1 C--N 1.482 6.328 0 CA-C-O 123.967 1.841 . . . . 0.0 114.54 -167.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -17.56 -44.67 0.0 OUTLIER 'General case' 1 C--N 1.487 6.55 0 C-N-CA 126.552 1.941 . . . . 0.0 114.019 170.972 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -178.18 0.03 OUTLIER 'General case' 1 C--N 1.477 6.132 0 CA-C-O 123.396 1.57 . . . . 0.0 111.077 -171.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 2.7 tpm_? -51.78 -12.42 0.2 Allowed 'General case' 1 C--N 1.488 6.61 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.785 -175.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 86.02 151.37 0.07 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 121.976 0.893 . . . . 0.0 111.276 171.049 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -86.2 142.58 28.51 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 -172.592 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.35 142.77 57.51 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.523 0.677 . . . . 0.0 110.548 172.075 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -78.31 3.83 14.47 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.14 0.495 . . . . 0.0 111.713 175.664 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.22 -15.91 36.84 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.459 -0.776 . . . . 0.0 112.567 -171.177 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.526 HD21 HG22 ' A' ' 31' ' ' VAL 0.275 8.2 p-10 -132.27 15.43 4.59 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -176.844 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.5 142.63 14.8 Favored 'Isoleucine or valine' 1 C--N 1.48 6.256 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.443 -163.089 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 7.7 t -127.14 139.94 52.61 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.14 -1.6 . . . . 0.0 111.495 -177.359 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.799 ' HE1' ' HB3' ' A' ' 29' ' ' PHE . 2.2 m-85 -109.86 155.64 21.41 Favored 'General case' 1 C--N 1.488 6.602 0 CA-C-O 123.246 1.498 . . . . 0.0 113.468 -170.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.051 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -149.23 158.42 44.17 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.941 -179.793 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -19.51 59.14 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 120.128 -1.608 . . . . 0.0 112.16 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.64 174.77 14.08 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.088 -1.008 . . . . 0.0 111.464 171.679 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -63.72 -47.77 79.75 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.51 -177.455 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -52.3 -14.94 0.51 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.366 0.603 . . . . 0.0 111.392 -171.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.889 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -80.52 -63.05 1.49 Allowed 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.539 0.685 . . . . 0.0 111.484 172.882 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -49.43 -13.84 0.09 Allowed 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.693 -0.63 . . . . 0.0 112.165 172.377 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -84.13 -49.17 9.11 Favored 'General case' 1 C--N 1.478 6.169 0 O-C-N 121.091 -1.006 . . . . 0.0 110.476 171.764 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.38 5.36 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.531 0.681 . . . . 0.0 111.313 171.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.35 75.29 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 122.826 1.298 . . . . 0.0 109.446 172.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.12 25.15 6.23 Favored Glycine 1 C--N 1.484 8.756 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 172.391 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.124 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -89.35 -172.97 3.82 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-N 114.911 -0.645 . . . . 0.0 112.037 -171.802 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.17 111.48 56.61 Favored Pre-proline 1 C--N 1.479 6.198 0 O-C-N 121.044 -1.035 . . . . 0.0 111.752 -172.216 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 82.8 Cg_exo -54.28 107.22 0.2 Allowed 'Trans proline' 1 C--N 1.483 7.606 1 C-N-CA 127.123 5.215 . . . . 0.0 115.324 -178.993 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 7.6 t -115.63 95.35 5.1 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.585 2.136 . . . . 0.0 109.849 171.315 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -76.88 -91.9 0.03 OUTLIER 'General case' 1 C--N 1.498 7.026 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.392 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.47 ' H ' ' HG2' ' A' ' 71' ' ' ARG . 4.4 mmt85 -58.85 -70.16 0.16 Allowed 'General case' 1 C--N 1.479 6.211 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 170.587 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 1 C--N 1.478 6.166 0 CA-C-O 123.86 1.791 . . . . 0.0 110.181 169.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.709 0.766 . . . . 0.0 111.119 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.66 ' N ' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -78.1 -24.56 47.49 Favored 'General case' 1 C--N 1.48 6.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.783 -172.461 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.25 -62.76 1.26 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.245 1.021 . . . . 0.0 110.936 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -48.78 -40.18 27.95 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.595 1.188 . . . . 0.0 110.446 -179.976 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -48.47 -77.67 0.02 OUTLIER 'General case' 1 C--N 1.48 6.253 0 CA-C-O 123.468 1.604 . . . . 0.0 113.07 178.425 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.879 ' HA ' HG23 ' A' ' 16' ' ' VAL . 25.7 t-105 -73.0 -30.68 63.96 Favored 'General case' 1 C--N 1.486 6.531 0 O-C-N 120.774 -1.203 . . . . 0.0 110.973 -170.601 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.58 -35.51 60.9 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 121.983 0.897 . . . . 0.0 109.938 171.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.709 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.35 -42.59 82.28 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 171.791 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.879 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.0 t -54.8 -52.58 41.05 Favored 'Isoleucine or valine' 1 C--N 1.489 6.655 0 CA-C-O 121.436 0.636 . . . . 0.0 112.703 172.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.694 HD21 ' HE1' ' A' ' 13' ' ' TRP . 21.5 mt . . . . . 1 C--N 1.476 6.084 0 CA-C-O 123.527 1.632 . . . . 0.0 110.861 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.138 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.928 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -104.24 168.83 2.32 Favored 'Isoleucine or valine' 1 C--N 1.483 6.376 0 O-C-N 120.431 -1.418 . . . . 0.0 111.045 -178.094 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.89 140.66 36.51 Favored 'General case' 1 C--N 1.481 6.304 0 O-C-N 121.746 -0.597 . . . . 0.0 110.235 172.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -129.41 98.61 4.92 Favored 'General case' 1 C--N 1.478 6.179 0 CA-C-O 122.147 0.975 . . . . 0.0 111.471 -171.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 ' CB ' ' A' ' 47' ' ' ALA . 13.1 p -88.57 97.34 6.74 Favored 'Isoleucine or valine' 1 C--N 1.481 6.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.801 177.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.39 79.94 8.84 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.702 0.763 . . . . 0.0 111.405 -172.486 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -134.42 -53.2 0.83 Allowed 'General case' 1 C--N 1.478 6.187 0 CA-C-O 122.442 1.115 . . . . 0.0 110.006 173.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -97.88 -15.25 20.28 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.858 0.837 . . . . 0.0 110.436 170.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.64 66.16 1.1 Allowed Glycine 1 C--N 1.48 8.551 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 172.142 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.62 132.81 51.65 Favored 'Isoleucine or valine' 1 C--N 1.48 6.243 0 O-C-N 121.564 -0.962 . . . . 0.0 111.549 174.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.031 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 6.0 p90 -114.3 110.3 19.71 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.559 -0.713 . . . . 0.0 109.263 171.223 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.566 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.5 t -125.37 162.31 25.07 Favored 'General case' 1 C--N 1.477 6.122 0 O-C-N 120.002 -1.686 . . . . 0.0 112.286 -170.213 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 114.11 27.65 Favored Pre-proline 1 C--N 1.475 6.038 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 167.188 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -13.76 61.09 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 127.78 5.653 . . . . 0.0 120.075 -175.943 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 119.98 0.05 OUTLIER 'General case' 1 C--N 1.484 6.455 0 O-C-N 121.656 -0.653 . . . . 0.0 112.329 171.717 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 31.8 m -138.05 128.42 26.22 Favored 'General case' 1 C--N 1.478 6.175 0 O-C-N 120.604 -1.31 . . . . 0.0 109.785 168.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 43' ' ' ARG . 3.1 mtt-85 -72.27 -14.95 61.9 Favored 'General case' 1 C--N 1.478 6.155 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.54 -174.06 0.5 Allowed 'General case' 1 C--N 1.477 6.135 0 CA-C-O 122.498 1.142 . . . . 0.0 109.597 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -45.74 94.64 0.01 OUTLIER 'General case' 1 C--N 1.487 6.576 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.991 171.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -43.67 111.83 0.32 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.935 0.874 . . . . 0.0 111.722 -170.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.784 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -32.48 109.15 0.06 Allowed 'General case' 1 C--N 1.481 6.312 0 CA-C-O 121.87 0.843 . . . . 0.0 112.079 173.002 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.824 ' CD1' ' HG2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -51.5 137.74 23.57 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.798 0.809 . . . . 0.0 110.943 172.249 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 3.0 ttt-85 -74.44 -4.35 36.12 Favored 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.217 0.532 . . . . 0.0 111.678 176.453 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.824 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 4.6 pt-20 -82.56 -9.95 59.19 Favored 'General case' 1 C--N 1.478 6.177 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.211 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.728 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.27 7.7 p-10 -133.22 18.74 4.04 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 178.7 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.34 150.45 4.57 Favored 'Isoleucine or valine' 1 C--N 1.479 6.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.421 -163.331 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ALA . 33.1 t -132.52 137.42 47.15 Favored 'General case' 1 C--N 1.477 6.136 0 O-C-N 120.234 -1.541 . . . . 0.0 111.949 177.303 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.655 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 2.4 m-85 -106.21 135.96 46.77 Favored 'General case' 1 C--N 1.483 6.407 0 CA-C-O 123.242 1.496 . . . . 0.0 111.819 -172.576 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.928 ' HB2' HG23 ' A' ' 28' ' ' VAL . 1.4 m-85 -123.99 167.86 13.6 Favored 'General case' 1 C--N 1.477 6.137 0 C-N-CA 125.362 1.465 . . . . 0.0 110.141 172.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.51 -26.34 32.62 Favored 'General case' 1 C--N 1.48 6.249 0 O-C-N 118.339 -2.726 . . . . 0.0 112.876 170.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 9.7 t-20 -145.59 157.93 43.91 Favored 'General case' 1 C--N 1.48 6.239 0 O-C-N 120.878 -1.139 . . . . 0.0 112.494 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -67.01 -16.4 64.34 Favored 'General case' 1 C--N 1.483 6.401 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.547 173.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -60.72 -36.31 78.53 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.183 -0.948 . . . . 0.0 110.694 173.06 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.66 -57.79 3.85 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.547 0.689 . . . . 0.0 111.725 178.389 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.574 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -56.38 -27.26 55.72 Favored 'General case' 1 C--N 1.481 6.299 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -75.37 -48.65 21.98 Favored 'General case' 1 C--N 1.477 6.141 0 O-C-N 120.9 -1.125 . . . . 0.0 110.42 172.091 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.88 -24.21 5.94 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.671 0.748 . . . . 0.0 111.075 171.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.35 -40.21 77.65 Favored 'General case' 1 C--N 1.481 6.288 0 CA-C-O 122.67 1.224 . . . . 0.0 109.531 172.153 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.26 30.62 4.66 Favored Glycine 1 C--N 1.485 8.815 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 173.718 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.031 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -97.65 -168.84 1.74 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-N 114.906 -0.647 . . . . 0.0 111.49 -171.931 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.588 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -95.81 108.0 37.65 Favored Pre-proline 1 C--N 1.479 6.196 0 O-C-N 120.585 -1.322 . . . . 0.0 111.72 -176.63 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.588 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 27.5 Cg_endo -56.85 104.7 0.15 Allowed 'Trans proline' 1 C--N 1.48 7.458 1 C-N-CA 127.45 5.433 . . . . 0.0 114.691 -179.243 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.566 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -113.58 100.35 8.43 Favored 'General case' 1 C--N 1.477 6.15 0 CA-C-O 124.077 1.894 . . . . 0.0 109.698 -177.473 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -86.54 0.2 Allowed 'General case' 1 C--N 1.495 6.921 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.222 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -59.05 -71.14 0.13 Allowed 'General case' 1 C--N 1.477 6.144 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 170.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER . . . . . 1 C--N 1.48 6.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.933 168.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.751 0.786 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.74 -30.1 71.17 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.754 0.788 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.27 -56.51 7.35 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.036 0.922 . . . . 0.0 110.917 -176.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 2.8 pt20 -57.54 -47.95 80.62 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 122.463 1.125 . . . . 0.0 111.052 -177.188 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -40.68 -72.91 0.05 Allowed 'General case' 1 C--N 1.48 6.251 0 CA-C-O 123.915 1.817 . . . . 0.0 112.367 175.696 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.081 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 54.7 t-105 -76.23 -23.46 54.55 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 120.713 -1.242 . . . . 0.0 111.541 -169.235 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.75 -32.71 71.99 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.46 1.124 . . . . 0.0 108.727 170.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.759 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 60.4 m -61.45 -33.34 73.57 Favored 'General case' 1 C--N 1.483 6.398 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.214 171.339 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.956 HG23 ' HA ' ' A' ' 13' ' ' TRP 0.272 1.3 t -67.06 -65.42 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.492 6.762 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.023 171.274 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HE1' ' A' ' 13' ' ' TRP . 32.2 mt . . . . . 1 C--N 1.476 6.066 0 O-C-N 119.01 -2.307 . . . . 0.0 109.996 -171.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.506 -0.735 0 CA-C-O 123.355 1.55 . . . . 0.0 112.864 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.942 HG22 ' HB2' ' A' ' 55' ' ' TYR . 2.3 m -141.4 157.42 21.76 Favored 'Isoleucine or valine' 1 C--N 1.487 6.58 0 O-C-N 120.993 -1.067 . . . . 0.0 110.452 -169.533 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -139.91 136.85 34.31 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 120.849 -1.157 . . . . 0.0 110.21 -178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.645 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -122.63 111.33 16.63 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.18 -0.95 . . . . 0.0 111.106 -172.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.074 HG21 ' HB3' ' A' ' 47' ' ' ALA . 6.8 p -95.8 110.18 23.91 Favored 'Isoleucine or valine' 1 C--N 1.479 6.212 0 CA-C-O 121.304 0.574 . . . . 0.0 110.487 175.578 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.8 ptt180 -84.83 26.97 0.78 Allowed 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.478 -0.764 . . . . 0.0 112.824 -171.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 2.1 m -106.89 -38.52 6.04 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 121.113 -0.992 . . . . 0.0 110.285 -178.665 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.4 m -101.4 -9.47 21.09 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.878 171.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.95 51.04 11.13 Favored Glycine 1 C--N 1.479 8.521 0 O-C-N 121.549 -0.719 . . . . 0.0 112.277 171.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.2 pt -135.86 141.1 42.87 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.433 -1.04 . . . . 0.0 110.574 171.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.029 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -111.09 104.8 13.38 Favored 'General case' 1 C--N 1.478 6.18 0 O-C-N 120.657 -1.277 . . . . 0.0 109.344 171.993 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 37.1 t -122.67 168.08 12.64 Favored 'General case' 1 C--N 1.478 6.157 0 O-C-N 119.698 -1.876 . . . . 0.0 110.775 -169.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.0 175.27 3.18 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 122.758 1.266 . . . . 0.0 108.066 166.812 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' O ' HG13 ' A' ' 16' ' ' VAL . 61.2 Cg_exo -14.47 -31.5 0.0 OUTLIER 'Trans proline' 1 C--N 1.474 7.163 2 C-N-CA 128.916 6.411 . . . . 0.0 122.578 -178.205 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 t -164.61 160.28 19.95 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-N 122.002 2.183 . . . . 0.0 113.963 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 36' ' ' ILE . 21.4 m -127.89 132.17 49.36 Favored 'General case' 1 C--N 1.49 6.683 0 O-C-N 121.074 -1.016 . . . . 0.0 109.252 170.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -75.27 5.72 5.24 Favored 'General case' 1 C--N 1.475 6.049 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.637 -171.951 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.18 -176.35 5.65 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.648 1.213 . . . . 0.0 110.146 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -42.09 1.06 Allowed 'General case' 1 C--N 1.486 6.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.859 174.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 55.96 173.73 0.03 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.797 0.808 . . . . 0.0 111.08 -177.407 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.074 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -131.98 175.08 9.53 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 122.134 0.969 . . . . 0.0 111.694 -171.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.047 HD22 ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -86.69 178.58 6.99 Favored 'General case' 1 C--N 1.481 6.293 0 CA-C-O 122.203 1.002 . . . . 0.0 111.747 -172.035 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.8 ptm180 -88.02 15.38 7.39 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.691 0.758 . . . . 0.0 111.521 175.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.047 ' CG ' HD22 ' A' ' 48' ' ' LEU . 6.5 mm-40 -86.24 -22.47 26.86 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.805 -0.56 . . . . 0.0 112.358 -171.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.546 HD21 HG22 ' A' ' 31' ' ' VAL 0.288 9.5 p-10 -132.77 18.1 4.24 Favored 'General case' 1 C--N 1.469 5.776 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -176.417 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -94.87 165.16 1.99 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.083 -162.423 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.58 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 27.1 t -126.22 172.11 10.34 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.428 -1.42 . . . . 0.0 111.173 172.027 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.081 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.4 m-85 -141.24 149.05 40.84 Favored 'General case' 1 C--N 1.482 6.358 0 CA-C-O 122.707 1.242 . . . . 0.0 112.106 174.112 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.942 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.68 160.36 43.65 Favored 'General case' 1 C--N 1.481 6.296 0 C-N-CA 123.743 0.817 . . . . 0.0 109.927 -178.182 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.13 -25.51 39.86 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 119.646 -1.909 . . . . 0.0 112.004 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.785 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 12.9 t-20 -143.33 159.5 42.24 Favored 'General case' 1 C--N 1.479 6.219 0 O-C-N 121.291 -0.88 . . . . 0.0 111.143 174.361 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.701 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -65.69 -30.78 71.51 Favored 'General case' 1 C--N 1.482 6.327 0 O-C-N 121.455 -0.778 . . . . 0.0 112.172 176.643 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.785 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -48.66 -32.12 7.83 Favored 'General case' 1 C--N 1.479 6.211 0 O-C-N 121.245 -0.909 . . . . 0.0 111.186 176.258 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.86 ' CG ' ' HD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -73.66 -64.74 0.93 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.724 0.773 . . . . 0.0 111.445 -179.471 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.937 ' CB ' ' HD2' ' A' ' 37' ' ' PHE . . . -52.31 -12.92 0.29 Allowed 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.542 -0.724 . . . . 0.0 112.241 172.038 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.677 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -83.49 -42.56 16.74 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.787 -1.196 . . . . 0.0 110.438 171.533 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.42 -26.16 7.52 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 122.164 0.983 . . . . 0.0 110.233 171.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.24 -40.58 70.95 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.699 1.238 . . . . 0.0 109.724 171.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 102.6 40.21 2.59 Favored Glycine 1 C--N 1.483 8.703 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 172.585 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -97.86 -173.12 2.53 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -171.248 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 0.5 OUTLIER -97.44 108.41 44.75 Favored Pre-proline 1 C--N 1.478 6.189 0 CA-C-O 122.449 1.118 . . . . 0.0 113.444 -170.982 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.1 Cg_exo -42.1 110.13 0.14 Allowed 'Trans proline' 1 C--N 1.485 7.737 1 C-N-CA 127.468 5.445 . . . . 0.0 117.1 179.499 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.567 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -131.06 91.36 3.03 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 125.193 2.425 . . . . 0.0 109.518 171.136 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -85.78 -79.05 0.25 Allowed 'General case' 1 C--N 1.499 7.081 0 CA-C-N 114.125 -1.398 . . . . 0.0 109.905 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -71.81 0.17 Allowed 'General case' 1 C--N 1.477 6.119 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 169.107 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER . . . . . 1 C--N 1.479 6.228 0 CA-C-O 122.158 0.98 . . . . 0.0 110.736 168.731 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.728 HG23 HH11 ' A' ' 12' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.802 0.81 . . . . 0.0 111.369 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.82 -38.72 92.13 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.544 0.688 . . . . 0.0 111.476 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -38.25 52.98 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.448 0.642 . . . . 0.0 111.469 -172.034 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.806 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.1 -51.2 68.89 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 123.15 1.452 . . . . 0.0 110.753 172.212 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.806 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -40.91 -59.29 1.47 Allowed 'General case' 1 C--N 1.482 6.344 0 CA-C-O 125.233 2.444 . . . . 0.0 111.942 171.751 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.941 ' HA ' HG23 ' A' ' 16' ' ' VAL . 61.5 t-105 -78.19 -27.27 47.88 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-N 114.074 -1.421 . . . . 0.0 113.292 -167.699 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.65 -23.85 60.01 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 122.507 1.146 . . . . 0.0 109.066 170.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.743 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 59.9 m -70.07 -42.98 72.1 Favored 'General case' 1 C--N 1.483 6.399 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.826 171.509 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -56.23 -55.06 20.77 Favored 'Isoleucine or valine' 1 C--N 1.489 6.646 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 172.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HE1' ' A' ' 13' ' ' TRP . 12.5 mt . . . . . 1 C--N 1.475 6.063 0 O-C-N 119.773 -1.829 . . . . 0.0 109.408 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 . . . . . 0 CA--C 1.507 -0.696 0 CA-C-O 123.372 1.558 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 55' ' ' TYR . 12.6 m -141.5 155.32 20.49 Favored 'Isoleucine or valine' 1 C--N 1.481 6.298 0 C-N-CA 124.989 1.316 . . . . 0.0 109.415 -169.175 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.028 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -135.88 135.92 40.11 Favored 'General case' 1 C--N 1.477 6.133 0 O-C-N 119.726 -1.859 . . . . 0.0 109.071 -171.742 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.19 102.43 6.93 Favored 'General case' 1 C--N 1.478 6.174 0 O-C-N 121.011 -1.055 . . . . 0.0 111.474 -171.042 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.53 104.25 15.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.208 0 CA-C-O 121.689 0.757 . . . . 0.0 110.406 175.164 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -86.0 31.79 0.62 Allowed 'General case' 1 C--N 1.481 6.302 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -171.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.741 HG22 HG23 ' A' ' 31' ' ' VAL . 12.4 t -102.27 -41.77 6.25 Favored 'General case' 1 C--N 1.478 6.168 0 O-C-N 121.135 -0.978 . . . . 0.0 111.191 177.242 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -100.44 -23.18 14.8 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 122.146 0.974 . . . . 0.0 110.691 172.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.34 56.92 1.41 Allowed Glycine 1 C--N 1.482 8.656 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 171.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -135.24 134.73 52.63 Favored 'Isoleucine or valine' 1 C--N 1.481 6.29 0 O-C-N 120.633 -1.51 . . . . 0.0 112.089 170.672 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.871 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.3 p90 -102.39 94.07 5.5 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.677 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 27.4 t -115.95 165.02 13.58 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 120.123 -1.611 . . . . 0.0 111.399 -170.147 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.72 153.63 94.77 Favored Pre-proline 1 C--N 1.475 6.036 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 165.283 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -14.63 145.23 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.916 1 C-N-CA 127.277 5.318 . . . . 0.0 118.875 -176.908 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.638 ' OG ' HG12 ' A' ' 16' ' ' VAL . 69.7 m 2.72 114.84 0.0 OUTLIER 'General case' 1 C--N 1.487 6.578 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.186 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 93.2 m -68.54 156.18 38.52 Favored 'General case' 1 C--N 1.491 6.76 0 CA-C-O 122.665 1.221 . . . . 0.0 109.254 169.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -10.32 18.82 Favored 'General case' 1 C--N 1.477 6.115 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.318 -171.471 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.02 -174.57 4.93 Favored 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.594 1.187 . . . . 0.0 109.612 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.73 95.99 0.01 OUTLIER 'General case' 1 C--N 1.488 6.599 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.116 172.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 151.83 20.02 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.097 0.951 . . . . 0.0 112.046 -171.172 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.006 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -100.31 165.61 11.38 Favored 'General case' 1 C--N 1.481 6.326 0 CA-C-O 121.833 0.825 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 171.94 11.4 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.977 0.894 . . . . 0.0 110.853 -173.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -69.02 -13.26 62.35 Favored 'General case' 1 C--N 1.482 6.35 0 CA-C-O 121.458 0.646 . . . . 0.0 111.964 172.261 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -87.93 10.93 17.15 Favored 'General case' 1 C--N 1.482 6.341 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -170.778 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' OD1' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -136.92 17.38 3.03 Favored 'General case' 1 C--N 1.469 5.777 0 CA-C-O 124.373 2.035 . . . . 0.0 107.473 171.628 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.01 150.82 6.97 Favored 'Isoleucine or valine' 1 C--N 1.496 6.966 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.819 -164.84 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ALA . 32.0 t -134.1 138.31 45.18 Favored 'General case' 1 C--N 1.476 6.104 0 O-C-N 119.884 -1.76 . . . . 0.0 110.575 171.769 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.028 ' CE1' ' HB2' ' A' ' 29' ' ' PHE . 20.6 m-85 -120.37 140.45 51.29 Favored 'General case' 1 C--N 1.484 6.453 0 O-C-N 120.375 -1.453 . . . . 0.0 114.601 -170.692 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.889 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -138.07 156.58 47.64 Favored 'General case' 1 C--N 1.488 6.6 0 O-C-N 121.014 -1.054 . . . . 0.0 110.559 -171.827 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.55 78.63 Favored 'General case' 1 C--N 1.484 6.421 0 O-C-N 119.932 -1.73 . . . . 0.0 113.941 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 2.4 t-20 -152.3 158.66 43.09 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.972 -1.08 . . . . 0.0 112.223 -174.089 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.5 68.43 Favored 'General case' 1 C--N 1.483 6.385 0 CA-C-O 121.387 0.613 . . . . 0.0 111.617 -173.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.497 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 4.1 m -59.66 -34.34 72.71 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.761 0.791 . . . . 0.0 110.85 -174.665 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.676 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -65.86 -55.38 17.34 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.582 0.706 . . . . 0.0 111.286 177.009 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -55.77 -28.55 56.58 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.706 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.83 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -72.54 -40.69 66.53 Favored 'General case' 1 C--N 1.477 6.114 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 171.692 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -56.5 -29.07 61.4 Favored 'General case' 1 C--N 1.478 6.172 0 CA-C-O 121.753 0.787 . . . . 0.0 110.98 171.455 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -68.73 -33.14 73.43 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.305 1.05 . . . . 0.0 110.05 173.26 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.57 32.73 6.16 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 176.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.871 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -103.43 -173.24 2.27 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 122.319 -0.518 . . . . 0.0 111.958 -171.942 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -96.47 119.28 64.37 Favored Pre-proline 1 C--N 1.479 6.237 0 O-C-N 120.91 -1.119 . . . . 0.0 112.1 -173.018 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -61.66 97.76 0.15 Allowed 'Trans proline' 1 C--N 1.481 7.526 1 C-N-CA 126.857 5.038 . . . . 0.0 115.16 -179.009 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.592 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.3 t -109.69 101.13 10.05 Favored 'General case' 1 C--N 1.478 6.161 0 CA-C-O 124.83 2.252 . . . . 0.0 109.815 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -77.65 0.42 Allowed 'General case' 1 C--N 1.497 7.017 0 O-C-N 120.534 -1.354 . . . . 0.0 110.409 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.678 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.3 -71.9 0.13 Allowed 'General case' 1 C--N 1.477 6.112 0 CA-C-O 122.764 1.269 . . . . 0.0 107.805 170.376 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--N 1.479 6.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.532 168.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.758 0.789 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -107.74 -64.88 1.16 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.892 0.853 . . . . 0.0 110.976 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 136.76 51.47 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.852 0.834 . . . . 0.0 110.934 178.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.24 -90.9 0.0 OUTLIER 'General case' 1 C--N 1.48 6.268 0 CA-C-O 121.735 0.779 . . . . 0.0 110.977 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -110.74 -171.3 1.8 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.735 0.779 . . . . 0.0 110.931 172.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' CB ' ' NH2' ' A' ' 12' ' ' ARG . 42.5 m -41.12 154.25 0.04 OUTLIER 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.678 0.752 . . . . 0.0 110.951 174.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.76 -79.4 0.1 Allowed 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.623 0.725 . . . . 0.0 111.352 -172.174 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -150.68 154.53 37.61 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.97 0.891 . . . . 0.0 111.608 -172.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -20.96 2.23 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 121.714 0.769 . . . . 0.0 110.803 172.013 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -40.92 62.99 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.346 0.593 . . . . 0.0 111.094 -176.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' OE1' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -61.6 -48.2 81.98 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 122.536 1.16 . . . . 0.0 110.613 174.282 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.34 -73.45 0.05 OUTLIER 'General case' 1 C--N 1.479 6.239 0 CA-C-O 124.701 2.191 . . . . 0.0 112.655 171.968 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.876 ' HA ' HG23 ' A' ' 16' ' ' VAL . 26.0 t-105 -68.8 -25.57 64.76 Favored 'General case' 1 C--N 1.489 6.669 0 O-C-N 120.53 -1.356 . . . . 0.0 111.089 -169.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -41.04 78.35 Favored 'General case' 1 C--N 1.482 6.364 0 CA-C-O 122.076 0.941 . . . . 0.0 109.414 171.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.785 ' HB3' ' O ' ' A' ' 12' ' ' ARG . 9.9 t -49.5 -38.29 29.76 Favored 'General case' 1 C--N 1.483 6.375 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.18 171.336 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.4 t -65.22 -57.36 11.35 Favored 'Isoleucine or valine' 1 C--N 1.492 6.791 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 ' HE1' ' A' ' 13' ' ' TRP . 10.3 mt -44.72 -46.06 10.19 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 119.914 -1.741 . . . . 0.0 109.768 -171.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.68 -96.14 0.0 OUTLIER 'General case' 1 C--N 1.488 6.616 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.088 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 179.53 -85.57 0.0 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 122.915 1.34 . . . . 0.0 110.965 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.68 148.48 95.02 Favored Pre-proline 1 C--N 1.484 6.456 0 CA-C-O 121.911 0.862 . . . . 0.0 111.049 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 10.4 Cg_endo -48.75 104.18 0.07 OUTLIER 'Trans proline' 1 C--N 1.477 7.341 1 C-N-CA 126.662 4.908 . . . . 0.0 113.899 179.036 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.07 -55.9 3.56 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 122.62 1.2 . . . . 0.0 110.475 -171.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . . . -91.17 -85.16 0.24 Allowed 'General case' 1 C--N 1.482 6.33 0 CA-C-O 122.209 1.004 . . . . 0.0 110.918 172.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.667 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 84.2 m-20 -86.31 97.94 10.69 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.93 0.872 . . . . 0.0 110.93 -171.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' HA2' ' HB2' ' A' ' 21' ' ' PRO . . . -52.61 -17.91 4.96 Favored Glycine 1 C--N 1.479 8.505 0 O-C-N 121.331 -0.856 . . . . 0.0 112.784 -171.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.91 3.53 8.75 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 120.913 -1.345 . . . . 0.0 113.611 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.667 ' HD1' ' O ' ' A' ' 24' ' ' ASP . 16.2 p90 -70.64 151.5 44.9 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 120.859 -1.15 . . . . 0.0 110.467 -172.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.131 HG23 ' CD1' ' A' ' 55' ' ' TYR . 34.5 m -122.52 152.44 26.85 Favored 'Isoleucine or valine' 1 C--N 1.477 6.119 0 O-C-N 120.87 -1.144 . . . . 0.0 109.767 -170.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' HD1' HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -135.05 132.79 38.66 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.55 -1.344 . . . . 0.0 110.489 -171.761 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.28 99.51 6.74 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.705 0.764 . . . . 0.0 110.729 -172.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -90.98 110.27 22.1 Favored 'Isoleucine or valine' 1 C--N 1.478 6.18 0 CA-C-O 121.583 0.706 . . . . 0.0 110.5 173.025 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -82.12 19.2 1.2 Allowed 'General case' 1 C--N 1.48 6.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' CB ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -100.27 -33.59 10.35 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.105 -0.997 . . . . 0.0 110.786 176.66 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.862 HG22 HG23 ' A' ' 36' ' ' ILE . 16.6 m -97.15 -3.48 40.98 Favored 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.94 -0.475 . . . . 0.0 111.193 172.012 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.12 42.34 97.04 Favored Glycine 1 C--N 1.479 8.508 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 34' ' ' THR . 1.0 OUTLIER -129.28 130.55 67.76 Favored 'Isoleucine or valine' 1 C--N 1.483 6.388 0 CA-C-O 122.398 1.094 . . . . 0.0 112.505 174.713 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.977 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -107.87 109.34 20.84 Favored 'General case' 1 C--N 1.479 6.196 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 169.921 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.013 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -139.51 163.51 32.35 Favored 'General case' 1 C--N 1.477 6.112 0 O-C-N 120.246 -1.534 . . . . 0.0 110.863 -169.595 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -74.9 140.99 74.6 Favored Pre-proline 1 C--N 1.479 6.231 0 CA-C-O 122.252 1.025 . . . . 0.0 109.386 175.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -11.5 -37.33 0.0 OUTLIER 'Trans proline' 1 C--N 1.475 7.22 2 C-N-CA 129.499 6.799 . . . . 0.0 124.518 -177.39 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -98.89 43.39 1.06 Allowed 'General case' 1 C--N 1.477 6.136 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -72.01 103.18 3.16 Favored 'General case' 1 C--N 1.492 6.795 0 O-C-N 120.612 -1.305 . . . . 0.0 109.234 171.653 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.08 -52.48 7.35 Favored 'General case' 1 C--N 1.481 6.294 0 C-N-CA 123.588 0.755 . . . . 0.0 112.445 -171.136 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.06 143.69 0.16 Allowed 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.192 0.996 . . . . 0.0 110.222 173.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.59 95.98 0.01 OUTLIER 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.804 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -96.68 135.96 37.87 Favored 'General case' 1 C--N 1.482 6.337 0 CA-C-O 121.746 0.784 . . . . 0.0 110.875 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.957 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -48.82 172.48 0.02 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.917 0.865 . . . . 0.0 110.831 174.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.847 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.32 -172.59 4.23 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 122.753 1.263 . . . . 0.0 111.78 -171.758 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 7.2 ttm180 -88.43 18.53 4.44 Favored 'General case' 1 C--N 1.481 6.307 0 CA-C-O 122.122 0.963 . . . . 0.0 110.778 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.847 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.18 -23.2 24.88 Favored 'General case' 1 C--N 1.481 6.319 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.083 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.683 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.46 24.85 2.92 Favored 'General case' 1 C--N 1.471 5.876 0 CA-C-O 125.306 2.479 . . . . 0.0 107.19 -175.017 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.714 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -99.14 142.14 15.44 Favored 'Isoleucine or valine' 1 C--N 1.498 7.054 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.679 -165.309 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.9 t -127.82 124.54 37.84 Favored 'General case' 1 C--N 1.477 6.109 0 O-C-N 120.472 -1.392 . . . . 0.0 111.648 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' CE1' HG13 ' A' ' 52' ' ' VAL . 11.3 m-85 -102.13 149.84 23.86 Favored 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.392 1.091 . . . . 0.0 112.315 -171.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.131 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -144.08 162.82 35.29 Favored 'General case' 1 C--N 1.478 6.189 0 C-N-CA 123.271 0.629 . . . . 0.0 110.494 177.85 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.62 -41.35 65.62 Favored 'General case' 1 C--N 1.482 6.329 0 O-C-N 119.343 -2.098 . . . . 0.0 112.155 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.535 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 21.4 t-20 -131.82 152.07 51.24 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.362 -0.837 . . . . 0.0 111.107 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.17 -13.73 62.45 Favored 'General case' 1 C--N 1.48 6.254 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.535 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 5.1 t -60.65 -28.32 68.49 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.245 -0.909 . . . . 0.0 110.668 177.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.832 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.49 -64.53 0.88 Allowed 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.549 0.69 . . . . 0.0 111.654 173.689 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -51.28 -24.39 4.46 Favored 'General case' 1 C--N 1.481 6.319 0 O-C-N 121.421 -0.799 . . . . 0.0 112.516 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' CD2' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.62 -48.37 19.34 Favored 'General case' 1 C--N 1.477 6.149 0 O-C-N 121.216 -0.928 . . . . 0.0 110.378 171.994 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.46 -22.76 2.05 Favored 'General case' 1 C--N 1.478 6.178 0 CA-C-O 121.856 0.836 . . . . 0.0 110.763 171.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.67 -42.85 67.0 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 122.586 1.184 . . . . 0.0 109.834 172.119 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.02 36.71 2.48 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 175.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.977 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -106.26 -172.64 2.12 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-N 115.093 -0.554 . . . . 0.0 112.006 -171.584 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.16 102.46 10.9 Favored Pre-proline 1 C--N 1.479 6.235 0 O-C-N 120.875 -1.14 . . . . 0.0 112.441 -171.912 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.815 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 32.3 Cg_exo -63.05 95.73 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.408 1 C-N-CA 127.471 5.447 . . . . 0.0 115.53 -179.483 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 1.013 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -99.39 114.64 27.67 Favored 'General case' 1 C--N 1.483 6.393 0 CA-C-O 123.751 1.738 . . . . 0.0 113.125 170.487 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -120.75 26.13 9.29 Favored 'General case' 1 C--N 1.491 6.72 0 CA-C-O 122.791 1.281 . . . . 0.0 110.219 170.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -158.77 40.8 0.24 Allowed 'General case' 1 C--N 1.481 6.304 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.449 -172.759 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 42' ' ' CYS 0.353 95.6 m 6.42 55.29 0.0 OUTLIER 'General case' 1 C--N 1.484 6.434 1 CA-C-O 130.983 5.183 . . . . 0.0 108.619 -170.694 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ARG . 35.0 tt0 -41.33 99.14 0.2 Allowed Pre-proline 1 C--N 1.521 8.051 0 CA-C-N 109.583 -3.462 . . . . 0.0 114.331 170.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 25.5 Cg_exo -66.58 169.3 14.59 Favored 'Trans proline' 1 C--N 1.479 7.404 1 C-N-CA 126.658 4.906 . . . . 0.0 113.447 178.67 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 17.6 t0 167.94 95.37 0.0 OUTLIER 'General case' 1 C--N 1.478 6.176 0 CA-C-O 121.714 0.769 . . . . 0.0 111.495 172.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -123.42 119.1 29.02 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 121.405 0.622 . . . . 0.0 110.641 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 0.35 75.36 0.0 OUTLIER 'General case' 1 C--N 1.477 6.124 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 -171.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 52.61 85.21 0.19 Allowed Pre-proline 1 C--N 1.481 6.313 0 CA-C-O 121.994 0.902 . . . . 0.0 110.769 -171.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -58.81 -46.94 20.34 Favored 'Trans proline' 1 C--N 1.478 7.395 1 C-N-CA 126.474 4.782 . . . . 0.0 115.005 -179.26 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -62.36 -64.92 0.78 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.74 0.781 . . . . 0.0 110.949 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -46.93 -86.05 0.0 OUTLIER 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.837 0.827 . . . . 0.0 111.242 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -81.12 -171.51 3.27 Favored 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.766 0.793 . . . . 0.0 111.032 -172.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -175.49 -96.76 0.0 OUTLIER 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.752 0.787 . . . . 0.0 110.978 -178.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 50.21 91.9 0.02 OUTLIER 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.785 0.802 . . . . 0.0 111.039 -172.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.21 -38.59 66.03 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.766 0.793 . . . . 0.0 111.027 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -117.88 -165.53 1.11 Allowed 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.729 0.776 . . . . 0.0 110.998 175.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.49 31.52 1.64 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.171 0 CA-C-O 121.77 0.795 . . . . 0.0 110.99 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.3 m -112.36 69.07 0.68 Allowed 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.783 0.802 . . . . 0.0 110.996 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.61 114.44 13.53 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.736 0.779 . . . . 0.0 111.015 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.25 -42.86 0.33 Allowed 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.756 0.789 . . . . 0.0 110.945 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -124.45 -168.88 1.87 Allowed 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.755 0.788 . . . . 0.0 110.959 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 . . . . . 1 C--N 1.479 6.235 0 CA-C-O 121.999 0.904 . . . . 0.0 111.021 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 11.6 mtm . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.843 0.83 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 59.89 175.13 0.09 Allowed 'General case' 1 C--N 1.481 6.294 0 CA-C-O 121.889 0.852 . . . . 0.0 110.992 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -102.31 73.38 1.34 Allowed 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.819 0.818 . . . . 0.0 110.974 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 162.85 1.68 Allowed 'General case' 1 C--N 1.48 6.25 0 CA-C-O 121.716 0.769 . . . . 0.0 110.96 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -138.68 -149.36 0.29 Allowed 'General case' 1 C--N 1.478 6.174 0 CA-C-O 121.22 0.533 . . . . 0.0 110.796 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p -68.09 -18.68 64.73 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.336 -0.852 . . . . 0.0 111.394 -174.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.67 21.76 2.11 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.393 -0.817 . . . . 0.0 111.863 -173.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.92 -66.7 0.47 Allowed 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.335 -0.853 . . . . 0.0 111.184 -176.667 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.11 -33.32 63.55 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.579 0.704 . . . . 0.0 111.374 -172.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -73.43 -51.69 16.36 Favored 'General case' 1 C--N 1.48 6.273 0 CA-C-O 121.953 0.883 . . . . 0.0 110.843 -175.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.43 -42.36 87.14 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 122.293 1.044 . . . . 0.0 110.759 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.8 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.6 -76.72 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 123.631 1.681 . . . . 0.0 112.885 173.25 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.827 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 22.6 t-105 -72.0 -32.02 66.8 Favored 'General case' 1 C--N 1.487 6.544 0 O-C-N 120.743 -1.223 . . . . 0.0 111.418 -170.173 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -55.57 -32.2 62.82 Favored 'General case' 1 C--N 1.481 6.302 0 CA-C-O 121.965 0.888 . . . . 0.0 109.791 171.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.8 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.7 m -58.02 -41.87 84.06 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.36 171.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.827 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 16.6 t -49.97 -55.93 4.48 Favored 'Isoleucine or valine' 1 C--N 1.494 6.885 0 C-N-CA 119.594 -0.842 . . . . 0.0 111.099 171.594 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' NE1' ' A' ' 13' ' ' TRP . 11.8 mt -49.73 -41.9 44.82 Favored 'General case' 1 C--N 1.476 6.076 0 CA-C-O 123.463 1.601 . . . . 0.0 109.871 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.27 51.18 2.17 Favored 'General case' 1 C--N 1.486 6.535 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.651 175.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -54.62 -12.78 0.81 Allowed 'General case' 1 C--N 1.479 6.21 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -171.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HB3' ' HD3' ' A' ' 21' ' ' PRO . 4.9 t70 -75.28 -68.68 0.28 Allowed Pre-proline 1 C--N 1.477 6.127 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -170.51 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 52.8 Cg_endo -81.58 -95.41 0.0 OUTLIER 'Trans proline' 1 C--N 1.485 7.762 2 N-CA-C 126.154 5.405 . . . . 0.0 126.154 -177.219 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.379 43.2 t-20 -98.83 62.27 1.33 Allowed 'General case' 1 C--N 1.483 6.379 0 CA-C-O 125.687 2.66 . . . . 0.0 105.396 -167.493 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 15' ' ' SER . . . -153.82 -38.97 0.1 Allowed 'General case' 1 C--N 1.485 6.481 0 CA-C-N 110.934 -2.848 . . . . 0.0 111.054 -176.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.93 -100.65 0.0 OUTLIER 'General case' 1 C--N 1.478 6.166 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -176.016 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.637 ' HA2' ' HD2' ' A' ' 39' ' ' ARG . . . -82.24 16.71 21.72 Favored Glycine 1 C--N 1.484 8.796 0 O-C-N 120.827 -1.171 . . . . 0.0 113.352 -169.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.5 -12.71 45.13 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 121.535 -0.979 . . . . 0.0 110.977 171.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -173.29 178.5 2.4 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.102 0.954 . . . . 0.0 111.431 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.121 HG23 ' HD1' ' A' ' 55' ' ' TYR . 17.6 m -143.74 151.7 16.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.25 -0.906 . . . . 0.0 109.346 -170.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -134.16 143.45 47.92 Favored 'General case' 1 C--N 1.476 6.094 0 O-C-N 120.991 -1.068 . . . . 0.0 110.567 -175.046 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -128.01 97.14 4.69 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.775 0.798 . . . . 0.0 111.044 -172.326 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.745 ' HB ' HG23 ' A' ' 52' ' ' VAL . 8.4 p -91.42 111.44 23.9 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-O 121.11 0.481 . . . . 0.0 110.594 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -84.26 29.22 0.59 Allowed 'General case' 1 C--N 1.481 6.307 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 -171.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -100.56 -35.01 9.67 Favored 'General case' 1 C--N 1.478 6.17 0 O-C-N 121.056 -1.027 . . . . 0.0 110.939 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 36' ' ' ILE . 10.3 m -110.92 16.91 20.99 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-O 121.404 0.621 . . . . 0.0 111.236 172.505 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 48.76 36.51 19.31 Favored Glycine 1 C--N 1.479 8.497 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 174.42 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 34' ' ' THR . 1.1 pt -122.74 135.35 63.1 Favored 'Isoleucine or valine' 1 C--N 1.482 6.336 0 CA-C-O 122.56 1.172 . . . . 0.0 112.005 174.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.957 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -114.01 127.76 56.09 Favored 'General case' 1 C--N 1.478 6.158 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 171.257 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 43.4 t -139.39 156.32 47.06 Favored 'General case' 1 C--N 1.477 6.125 0 O-C-N 120.736 -1.227 . . . . 0.0 113.951 -169.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.637 ' HD2' ' HA2' ' A' ' 25' ' ' GLY . 16.3 ttp180 -76.28 113.37 27.8 Favored Pre-proline 1 C--N 1.477 6.111 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 167.114 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.97 82.48 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 126.251 4.634 . . . . 0.0 114.403 -177.63 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -152.48 -34.33 0.13 Allowed 'General case' 1 C--N 1.491 6.747 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -56.14 100.03 0.04 OUTLIER 'General case' 1 C--N 1.487 6.586 0 CA-C-O 122.444 1.116 . . . . 0.0 109.182 -171.637 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -68.48 -41.28 80.34 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -169.636 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 177.39 0.42 Allowed 'General case' 1 C--N 1.478 6.159 0 CA-C-O 122.637 1.208 . . . . 0.0 110.183 -171.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -50.69 -27.32 6.8 Favored 'General case' 1 C--N 1.487 6.557 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.224 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CE1' HG11 ' A' ' 31' ' ' VAL . 1.4 t60 40.48 -96.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.514 0.673 . . . . 0.0 112.159 171.691 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -165.14 158.2 16.41 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.816 0.817 . . . . 0.0 111.076 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -75.13 168.67 19.52 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.041 0.924 . . . . 0.0 111.158 179.677 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -84.35 8.84 14.78 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.817 0.818 . . . . 0.0 111.033 171.913 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.88 ' HB2' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -86.56 -1.18 57.43 Favored 'General case' 1 C--N 1.481 6.312 0 O-C-N 121.053 -1.029 . . . . 0.0 113.704 -170.378 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.459 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -139.14 23.98 2.55 Favored 'General case' 1 C--N 1.471 5.853 0 CA-C-O 125.593 2.616 . . . . 0.0 107.374 171.687 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -100.71 142.8 15.09 Favored 'Isoleucine or valine' 1 C--N 1.502 7.207 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.785 -165.317 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 21.2 t -105.16 173.2 6.41 Favored 'General case' 1 C--N 1.478 6.152 0 O-C-N 120.464 -1.398 . . . . 0.0 110.886 172.101 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 21.1 m-85 -135.99 153.96 51.23 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 121.309 -0.87 . . . . 0.0 111.938 174.289 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.121 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.66 155.75 39.0 Favored 'General case' 1 C--N 1.481 6.315 0 O-C-N 121.652 -0.655 . . . . 0.0 111.001 172.869 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.35 75.76 Favored 'General case' 1 C--N 1.481 6.311 0 O-C-N 120.638 -1.289 . . . . 0.0 112.061 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.662 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 22.7 t-20 -143.82 152.6 41.41 Favored 'General case' 1 C--N 1.48 6.244 0 O-C-N 121.254 -0.904 . . . . 0.0 111.396 174.202 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -61.61 -20.12 62.99 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 121.236 0.541 . . . . 0.0 111.704 -177.322 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -48.33 -47.2 37.08 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.903 0.859 . . . . 0.0 110.741 177.371 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.763 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.94 -47.53 58.5 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.864 -176.874 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.81 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -50.82 -29.05 10.69 Favored 'General case' 1 C--N 1.481 6.296 0 O-C-N 120.983 -1.073 . . . . 0.0 112.29 172.167 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -75.65 -43.29 48.36 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 121.353 -0.842 . . . . 0.0 110.555 173.926 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -24.14 20.08 Favored 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.282 171.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.18 -39.28 86.41 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.899 1.333 . . . . 0.0 108.947 171.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.36 24.9 6.9 Favored Glycine 1 C--N 1.484 8.77 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 172.303 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.957 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -94.08 -173.43 3.11 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-N 114.895 -0.652 . . . . 0.0 112.142 -171.783 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -96.75 115.8 65.83 Favored Pre-proline 1 C--N 1.48 6.254 0 O-C-N 120.862 -1.149 . . . . 0.0 112.652 -171.736 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' ARG . 36.1 Cg_endo -59.21 104.16 0.2 Allowed 'Trans proline' 1 C--N 1.482 7.568 1 C-N-CA 126.84 5.027 . . . . 0.0 115.179 -179.071 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 17.3 t -106.34 104.0 13.6 Favored 'General case' 1 C--N 1.477 6.142 0 CA-C-O 124.056 1.884 . . . . 0.0 110.078 171.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.46 -80.23 0.33 Allowed 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.328 -171.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp85 -62.12 -74.29 0.09 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 171.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.68 76.47 0.01 OUTLIER 'General case' 1 C--N 1.478 6.18 0 CA-C-O 122.485 1.136 . . . . 0.0 110.893 168.513 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 144.76 0.47 Allowed Pre-proline 1 C--N 1.474 5.999 0 CA-C-O 122.263 1.03 . . . . 0.0 111.999 175.128 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -52.04 -72.67 0.04 OUTLIER 'Trans proline' 1 C--N 1.482 7.556 1 C-N-CA 126.789 4.992 . . . . 0.0 115.224 -179.248 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.63 -73.55 0.01 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.096 0.95 . . . . 0.0 111.624 -171.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.74 133.0 54.93 Favored 'General case' 1 C--N 1.481 6.285 0 CA-C-O 122.027 0.918 . . . . 0.0 110.781 -171.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -13.45 81.75 0.0 OUTLIER 'General case' 1 C--N 1.479 6.196 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.7 t30 39.15 87.86 0.11 Allowed Pre-proline 1 C--N 1.479 6.224 0 CA-C-O 122.058 0.933 . . . . 0.0 113.075 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -66.87 -169.64 0.19 Allowed 'Trans proline' 1 C--N 1.479 7.402 1 C-N-CA 126.255 4.637 . . . . 0.0 114.022 178.952 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.49 171.13 18.03 Favored 'General case' 1 C--N 1.477 6.127 0 CA-C-O 121.783 0.802 . . . . 0.0 110.893 -174.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 171.04 155.04 0.06 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.652 0.739 . . . . 0.0 110.82 -172.079 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 -160.21 1.01 Allowed 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.781 0.8 . . . . 0.0 110.986 177.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 111.28 1.42 Allowed 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.746 0.784 . . . . 0.0 110.958 177.132 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.53 170.23 0.22 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.737 0.779 . . . . 0.0 110.953 177.48 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 82.23 98.22 0.05 OUTLIER 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.799 0.809 . . . . 0.0 111.006 173.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 43.23 2.75 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.725 0.774 . . . . 0.0 110.917 173.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 tt -98.7 146.84 7.56 Favored 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.766 0.793 . . . . 0.0 110.96 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -125.69 72.43 1.28 Allowed 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.764 0.792 . . . . 0.0 110.995 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -135.05 103.52 5.59 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.761 0.791 . . . . 0.0 110.986 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.93 -39.66 0.02 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.826 0.822 . . . . 0.0 110.97 -174.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m 66.78 -90.62 0.03 OUTLIER 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.765 0.793 . . . . 0.0 110.893 175.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.48 6.24 0 CA-C-O 121.976 0.893 . . . . 0.0 111.002 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.859 0 CA-C-O 121.066 0.46 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -119.35 -54.71 2.18 Favored 'General case' 1 C--N 1.478 6.186 0 O-C-N 121.342 -0.849 . . . . 0.0 110.992 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -58.86 101.12 0.08 Allowed 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.728 0.775 . . . . 0.0 110.95 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.5 119.01 16.11 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.796 0.808 . . . . 0.0 111.019 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -122.37 -30.9 3.89 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.618 0.723 . . . . 0.0 111.267 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.3 t -75.55 -113.55 0.01 OUTLIER 'General case' 1 C--N 1.479 6.212 0 O-C-N 121.718 -0.614 . . . . 0.0 110.839 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -85.74 99.69 11.51 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 121.102 -0.999 . . . . 0.0 110.944 -173.329 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -146.66 -79.13 0.16 Allowed 'General case' 1 C--N 1.48 6.241 0 CA-C-O 121.42 0.629 . . . . 0.0 111.12 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -37.7 62.3 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.813 0.815 . . . . 0.0 110.682 174.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -47.57 -75.09 0.03 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.951 0.882 . . . . 0.0 110.638 172.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -45.59 -42.59 11.35 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.958 0.885 . . . . 0.0 111.237 -174.909 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mtm-85 -54.64 -78.69 0.02 OUTLIER 'General case' 1 C--N 1.478 6.16 0 CA-C-O 124.067 1.889 . . . . 0.0 113.046 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.864 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.6 t-105 -68.17 -25.57 65.32 Favored 'General case' 1 C--N 1.49 6.675 0 O-C-N 120.606 -1.309 . . . . 0.0 110.102 -170.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.67 -41.65 86.65 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 122.087 0.946 . . . . 0.0 109.567 171.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.884 ' HB2' ' HB3' ' A' ' 23' ' ' ALA . 10.2 t -45.52 -38.35 6.25 Favored 'General case' 1 C--N 1.484 6.423 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.574 171.026 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.5 t -68.15 -56.32 13.17 Favored 'Isoleucine or valine' 1 C--N 1.494 6.855 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 171.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.0 mt -44.25 -44.28 7.86 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.043 -1.661 . . . . 0.0 110.252 -171.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 -99.81 0.0 OUTLIER 'General case' 1 C--N 1.488 6.618 0 CA-C-N 114.814 -1.084 . . . . 0.0 113.321 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.52 -93.74 0.0 OUTLIER 'General case' 1 C--N 1.48 6.269 0 CA-C-O 122.107 0.956 . . . . 0.0 111.423 -171.078 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.38 150.84 68.18 Favored Pre-proline 1 C--N 1.481 6.286 0 CA-C-O 121.801 0.81 . . . . 0.0 110.696 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -28.49 80.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.477 7.294 1 C-N-CA 126.583 4.855 . . . . 0.0 114.949 179.73 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -40.23 20.17 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.78 0.8 . . . . 0.0 110.878 173.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.884 ' HB3' ' HB2' ' A' ' 15' ' ' SER . . . -148.41 21.59 1.06 Allowed 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.234 178.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.481 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 49.8 m-20 -48.49 -82.61 0.01 OUTLIER 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.925 0.869 . . . . 0.0 110.814 172.167 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.66 -81.4 1.59 Allowed Glycine 1 C--N 1.479 8.526 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -150.98 16.38 0.75 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.287 0.565 . . . . 0.0 110.834 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -84.49 150.82 25.01 Favored 'General case' 1 C--N 1.481 6.309 0 O-C-N 121.048 -1.032 . . . . 0.0 111.994 -171.429 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.937 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.3 m -128.52 155.41 40.29 Favored 'Isoleucine or valine' 1 C--N 1.478 6.188 0 O-C-N 121.009 -1.057 . . . . 0.0 110.098 -170.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -137.88 136.13 36.81 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.76 -1.212 . . . . 0.0 110.371 -171.304 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.54 ' HB2' ' OH ' ' A' ' 55' ' ' TYR . . . -119.46 101.77 8.18 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.117 -0.99 . . . . 0.0 112.083 -174.049 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 47' ' ' ALA . 9.6 p -86.13 91.9 3.42 Favored 'Isoleucine or valine' 1 C--N 1.476 6.104 0 CA-C-O 121.423 0.63 . . . . 0.0 109.604 171.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.17 31.47 0.56 Allowed 'General case' 1 C--N 1.482 6.361 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -169.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.484 ' HB ' ' ND2' ' A' ' 51' ' ' ASN . 11.4 t -101.46 -42.69 6.17 Favored 'General case' 1 C--N 1.478 6.182 0 O-C-N 120.761 -1.212 . . . . 0.0 109.846 -179.47 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 m -96.31 -14.48 22.55 Favored 'General case' 1 C--N 1.48 6.259 0 CA-C-O 122.247 1.022 . . . . 0.0 110.058 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 67' ' ' ARG . . . 84.5 61.38 1.8 Allowed Glycine 1 C--N 1.481 8.618 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.661 171.069 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -140.48 137.32 36.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.162 0 O-C-N 120.871 -1.37 . . . . 0.0 111.582 169.742 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.973 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -105.78 108.73 20.39 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 121.552 -0.718 . . . . 0.0 109.135 170.815 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 42.3 t -122.5 156.83 33.31 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 120.029 -1.67 . . . . 0.0 112.748 -170.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.99 118.78 73.63 Favored Pre-proline 1 C--N 1.476 6.067 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 167.343 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.563 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -17.35 90.13 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.007 1 C-N-CA 127.046 5.164 . . . . 0.0 115.685 -177.65 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -161.33 -80.59 0.04 OUTLIER 'General case' 1 C--N 1.488 6.621 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -0.35 90.79 0.01 OUTLIER 'General case' 1 C--N 1.482 6.37 0 C-N-CA 125.73 1.612 . . . . 0.0 113.483 -168.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -72.03 3.58 4.27 Favored 'General case' 1 C--N 1.487 6.567 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.815 -171.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 46' ' ' HIS . . . -56.76 -170.9 0.0 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 123.057 1.408 . . . . 0.0 109.829 171.505 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -19.5 0.03 OUTLIER 'General case' 1 C--N 1.488 6.604 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.488 172.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 44' ' ' ALA . 6.9 t-160 90.81 132.96 0.03 OUTLIER 'General case' 1 C--N 1.478 6.165 0 CA-C-O 122.273 1.035 . . . . 0.0 112.422 170.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -68.21 121.28 15.88 Favored 'General case' 1 C--N 1.483 6.411 0 CA-C-O 121.879 0.847 . . . . 0.0 110.958 177.378 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.503 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.14 157.7 4.53 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.807 0.813 . . . . 0.0 111.049 -179.556 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -85.99 12.0 10.34 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.598 0.713 . . . . 0.0 111.073 171.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.9 -25.12 23.4 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.681 -0.637 . . . . 0.0 112.338 -171.392 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.285 8.2 p-10 -131.53 18.68 4.77 Favored 'General case' 1 C--N 1.469 5.766 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -176.274 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -97.9 145.3 9.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.225 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.387 -163.64 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.53 171.65 7.39 Favored 'General case' 1 C--N 1.477 6.151 0 O-C-N 120.421 -1.425 . . . . 0.0 110.893 172.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.864 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 53.0 m-85 -138.1 149.59 46.09 Favored 'General case' 1 C--N 1.483 6.4 0 CA-C-O 122.674 1.226 . . . . 0.0 112.295 176.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.937 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.81 157.46 43.67 Favored 'General case' 1 C--N 1.482 6.334 0 C-N-CA 123.853 0.861 . . . . 0.0 109.972 -176.748 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.36 -27.01 32.41 Favored 'General case' 1 C--N 1.479 6.203 0 O-C-N 119.874 -1.766 . . . . 0.0 112.572 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.495 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 5.5 t-20 -145.94 153.58 40.97 Favored 'General case' 1 C--N 1.48 6.259 0 O-C-N 121.155 -0.966 . . . . 0.0 111.599 175.514 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' CA ' HG11 ' A' ' 28' ' ' VAL . . . -60.48 -33.44 72.58 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.651 -174.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.495 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 19.6 m -43.7 -33.85 1.35 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 122.001 0.905 . . . . 0.0 110.978 -174.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -67.15 -56.24 10.77 Favored 'General case' 1 C--N 1.481 6.318 0 CA-C-O 121.454 0.645 . . . . 0.0 111.295 -179.708 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -56.01 -30.0 61.19 Favored 'General case' 1 C--N 1.48 6.279 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.022 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 63' ' ' ALA . 2.7 pp -78.86 -41.85 28.89 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 121.032 -1.042 . . . . 0.0 110.522 171.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.64 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -52.02 -23.55 5.36 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.895 0.855 . . . . 0.0 110.628 171.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -73.82 -41.55 62.16 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.612 1.196 . . . . 0.0 109.557 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 112.73 33.92 1.97 Allowed Glycine 1 C--N 1.482 8.68 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 173.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.973 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -102.38 -163.3 0.99 Allowed 'General case' 1 C--N 1.48 6.263 0 CA-C-N 114.731 -0.735 . . . . 0.0 111.688 -171.542 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.539 ' NH1' ' HD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -108.57 131.05 22.02 Favored Pre-proline 1 C--N 1.484 6.431 0 O-C-N 120.333 -1.48 . . . . 0.0 110.168 170.368 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 20.4 Cg_endo -83.41 62.67 7.41 Favored 'Trans proline' 1 C--N 1.477 7.317 1 C-N-CA 126.321 4.681 . . . . 0.0 114.097 -179.418 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 16.8 t -41.63 100.51 0.02 OUTLIER 'General case' 1 C--N 1.482 6.345 0 CA-C-O 124.412 2.053 . . . . 0.0 109.791 171.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -79.5 0.34 Allowed 'General case' 1 C--N 1.496 6.953 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.128 -171.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -75.04 0.08 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.169 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.51 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 0.8 OUTLIER 178.15 53.58 0.0 OUTLIER 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.821 1.296 . . . . 0.0 110.751 168.433 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.47 94.45 0.08 OUTLIER Pre-proline 1 C--N 1.475 6.025 0 CA-C-N 115.047 -0.978 . . . . 0.0 113.41 173.505 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.611 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 17.3 Cg_endo -86.73 -163.2 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.401 1 C-N-CA 126.754 4.97 . . . . 0.0 113.792 178.636 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 24.0 m-20 92.34 98.34 0.02 OUTLIER 'General case' 1 C--N 1.491 6.719 0 CA-C-O 121.869 0.842 . . . . 0.0 111.32 171.002 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -122.57 -87.9 0.63 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.399 0.618 . . . . 0.0 110.529 171.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -23.16 -56.62 0.03 OUTLIER 'General case' 1 C--N 1.477 6.117 0 CA-C-O 121.934 0.873 . . . . 0.0 113.244 171.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -145.58 119.74 5.48 Favored Pre-proline 1 C--N 1.48 6.27 0 CA-C-O 121.892 0.853 . . . . 0.0 110.947 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.587 ' HA ' ' HB3' ' A' ' 75' ' ' ASP . 89.7 Cg_endo -72.34 -27.6 16.04 Favored 'Trans proline' 1 C--N 1.479 7.419 1 C-N-CA 126.361 4.707 . . . . 0.0 115.565 -179.374 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 72.3 19.21 4.44 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.734 0.778 . . . . 0.0 110.969 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 70.99 -168.15 0.15 Allowed 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.698 0.761 . . . . 0.0 111.012 -172.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -99.49 -82.98 0.43 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.629 0.728 . . . . 0.0 110.988 -172.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -149.93 18.26 0.88 Allowed 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.732 0.777 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.06 98.87 12.02 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.766 0.794 . . . . 0.0 110.95 -174.172 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -135.01 55.17 1.9 Allowed 'General case' 1 C--N 1.479 6.203 0 CA-C-O 122.195 0.998 . . . . 0.0 110.928 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 -177.17 0.19 Allowed 'General case' 1 C--N 1.482 6.346 0 CA-C-O 121.863 0.84 . . . . 0.0 111.008 -177.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -152.34 145.99 15.42 Favored 'Isoleucine or valine' 1 C--N 1.479 6.236 0 CA-C-O 121.76 0.791 . . . . 0.0 110.984 -176.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.5 m -116.69 151.15 36.94 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.715 0.769 . . . . 0.0 111.01 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -102.18 129.38 48.54 Favored 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.72 0.772 . . . . 0.0 111.079 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.91 -96.85 0.04 OUTLIER 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.763 0.792 . . . . 0.0 110.992 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 73.84 162.23 0.26 Allowed 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.731 0.777 . . . . 0.0 110.93 -173.056 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 1 C--N 1.478 6.189 0 CA-C-O 122.035 0.922 . . . . 0.0 111.027 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.709 0.766 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.27 122.2 17.77 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.747 0.784 . . . . 0.0 111.0 176.405 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 -166.35 1.89 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.758 0.789 . . . . 0.0 110.98 176.126 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.2 -20.7 51.32 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.525 0.678 . . . . 0.0 111.26 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 57.57 0.73 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.826 0.822 . . . . 0.0 111.134 -172.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -86.0 20.98 2.08 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.438 0.637 . . . . 0.0 111.46 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.21 101.45 0.16 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.847 0.832 . . . . 0.0 110.926 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.45 169.52 8.47 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 121.96 0.885 . . . . 0.0 111.422 -172.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -23.62 51.2 Favored 'General case' 1 C--N 1.482 6.33 0 CA-C-O 121.858 0.837 . . . . 0.0 110.699 173.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -56.29 24.09 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.16 0.981 . . . . 0.0 110.82 173.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -33.28 75.67 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 122.214 1.007 . . . . 0.0 111.275 -171.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.99 -70.44 0.1 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 125.098 2.38 . . . . 0.0 112.319 171.737 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HA ' HG23 ' A' ' 16' ' ' VAL . 35.9 t-105 -72.24 -18.11 61.85 Favored 'General case' 1 C--N 1.493 6.81 0 O-C-N 120.546 -1.346 . . . . 0.0 109.834 -171.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -39.01 93.26 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.277 1.037 . . . . 0.0 108.658 170.069 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 4.1 m -44.47 -48.0 10.01 Favored 'General case' 1 C--N 1.487 6.56 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.114 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -63.05 -60.84 2.12 Favored 'Isoleucine or valine' 1 C--N 1.493 6.811 0 C-N-CA 119.195 -1.002 . . . . 0.0 113.162 178.062 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD21 ' HE1' ' A' ' 13' ' ' TRP . 11.5 mt -46.93 -49.16 20.99 Favored 'General case' 1 C--N 1.476 6.096 0 O-C-N 119.242 -2.161 . . . . 0.0 110.125 -172.411 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -82.68 0.01 OUTLIER 'General case' 1 C--N 1.488 6.593 0 CA-C-N 114.832 -1.076 . . . . 0.0 113.9 -170.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -178.81 29.58 0.0 OUTLIER 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.984 0.897 . . . . 0.0 110.572 -170.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD2' ' HG2' ' A' ' 40' ' ' PRO . 3.8 t0 -59.21 128.05 84.89 Favored Pre-proline 1 C--N 1.481 6.302 0 CA-C-O 122.071 0.939 . . . . 0.0 110.888 -171.476 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -57.32 -87.97 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.372 1 C-N-CA 125.981 4.454 . . . . 0.0 114.028 179.237 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -90.74 -77.95 0.4 Allowed 'General case' 1 C--N 1.477 6.116 0 CA-C-O 123.65 1.691 . . . . 0.0 109.032 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . . . -160.28 92.5 0.99 Allowed 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.012 170.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.769 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 4.1 m-20 -38.35 131.37 1.2 Allowed 'General case' 1 C--N 1.477 6.132 0 CA-C-O 125.451 2.548 . . . . 0.0 112.281 -171.71 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -92.64 1.79 Allowed Glycine 1 C--N 1.491 9.185 0 N-CA-C 107.15 -2.38 . . . . 0.0 107.15 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -160.59 24.12 0.15 Allowed 'General case' 1 C--N 1.474 6.019 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.862 168.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.774 ' CE2' ' HE2' ' A' ' 54' ' ' PHE . 11.4 p90 -80.2 163.48 24.0 Favored 'General case' 1 C--N 1.504 7.307 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -169.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.06 HG23 ' HD2' ' A' ' 55' ' ' TYR . 2.5 m -138.32 156.7 30.51 Favored 'Isoleucine or valine' 1 C--N 1.486 6.521 0 C-N-CA 125.187 1.395 . . . . 0.0 109.35 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HD1' ' H ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -134.52 142.74 47.11 Favored 'General case' 1 C--N 1.477 6.127 0 O-C-N 120.126 -1.608 . . . . 0.0 109.906 -175.672 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -120.15 100.79 7.4 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 121.436 -0.79 . . . . 0.0 110.846 -174.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.963 HG21 ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.84 104.18 15.3 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-O 121.86 0.838 . . . . 0.0 110.32 176.192 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -83.65 28.3 0.57 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -170.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 31' ' ' VAL . 8.7 t -96.27 -41.48 8.64 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 121.207 -0.933 . . . . 0.0 110.754 175.573 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.5 m -101.67 -5.05 25.49 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 72.87 54.75 6.94 Favored Glycine 1 C--N 1.478 8.463 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.125 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.1 pt -135.72 128.59 47.28 Favored 'Isoleucine or valine' 1 C--N 1.482 6.345 0 CA-C-O 122.409 1.099 . . . . 0.0 112.569 174.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.9 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -106.58 118.34 36.42 Favored 'General case' 1 C--N 1.48 6.251 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.041 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.029 ' HB2' ' O ' ' A' ' 69' ' ' CYS . 14.6 p -159.9 -159.39 0.72 Allowed 'General case' 1 C--N 1.473 5.97 0 O-C-N 120.919 -1.113 . . . . 0.0 110.464 -174.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 14.8 mmt85 -94.49 160.9 30.68 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 121.406 0.622 . . . . 0.0 110.021 171.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -23.92 162.57 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.267 1 C-N-CA 128.393 6.062 . . . . 0.0 119.733 -179.241 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 46' ' ' HIS . 25.1 p 0.67 117.1 0.0 OUTLIER 'General case' 1 C--N 1.484 6.451 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 -171.418 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 m -92.43 162.97 14.02 Favored 'General case' 1 C--N 1.49 6.687 0 CA-C-O 123.237 1.494 . . . . 0.0 112.745 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -6.34 -59.17 0.0 OUTLIER 'General case' 1 C--N 1.479 6.22 0 C-N-CA 126.011 1.724 . . . . 0.0 114.276 170.809 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -78.24 -174.35 3.66 Favored 'General case' 1 C--N 1.477 6.148 0 CA-C-O 124.052 1.882 . . . . 0.0 112.88 -169.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.742 ' O ' ' HB3' ' A' ' 46' ' ' HIS . 3.9 ttm180 -41.86 -21.32 0.02 OUTLIER 'General case' 1 C--N 1.489 6.672 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.92 172.088 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER 89.02 102.55 0.03 OUTLIER 'General case' 1 C--N 1.478 6.17 0 CA-C-O 122.394 1.092 . . . . 0.0 110.779 171.76 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.963 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -46.46 149.27 0.8 Allowed 'General case' 1 C--N 1.483 6.389 0 CA-C-O 121.953 0.882 . . . . 0.0 110.917 -172.166 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.63 174.13 8.76 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.755 0.788 . . . . 0.0 110.926 -177.847 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.3 ptt180 -83.22 9.28 11.01 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.721 -0.612 . . . . 0.0 111.686 173.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.007 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.4 -10.7 51.31 Favored 'General case' 1 C--N 1.479 6.236 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -170.387 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.861 HD21 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.73 21.19 2.69 Favored 'General case' 1 C--N 1.47 5.836 0 CA-C-O 124.908 2.289 . . . . 0.0 107.557 172.168 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -98.95 143.87 12.64 Favored 'Isoleucine or valine' 1 C--N 1.496 6.945 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.39 -165.125 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.595 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -111.55 177.55 4.62 Favored 'General case' 1 C--N 1.477 6.119 0 O-C-N 120.601 -1.312 . . . . 0.0 110.825 175.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HE2' ' CE2' ' A' ' 27' ' ' PHE . 7.0 m-85 -148.31 141.05 24.6 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.652 1.215 . . . . 0.0 112.796 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.06 ' HD2' HG23 ' A' ' 28' ' ' VAL . 3.4 m-85 -145.97 156.73 43.71 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.672 -174.361 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -9.15 58.19 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 120.179 -1.575 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -162.09 160.27 27.19 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.772 0.796 . . . . 0.0 110.802 171.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -58.97 -31.63 68.92 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.615 0.721 . . . . 0.0 111.269 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.625 ' HA ' HD21 ' A' ' 62' ' ' LEU . 3.4 t -55.56 -28.55 55.58 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.787 0.803 . . . . 0.0 110.845 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.793 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -69.51 -62.19 1.48 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.604 0.716 . . . . 0.0 111.374 173.849 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -54.46 -22.12 11.83 Favored 'General case' 1 C--N 1.48 6.277 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.26 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 59' ' ' SER . 2.4 pp -81.1 -43.39 19.52 Favored 'General case' 1 C--N 1.478 6.159 0 O-C-N 120.815 -1.178 . . . . 0.0 110.69 171.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.67 -26.43 9.16 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.916 0.865 . . . . 0.0 110.537 171.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.82 -40.68 75.76 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-O 122.962 1.363 . . . . 0.0 109.392 171.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 108.61 37.74 2.02 Favored Glycine 1 C--N 1.483 8.722 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 172.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.9 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -107.47 -177.72 3.43 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-N 114.635 -0.783 . . . . 0.0 112.265 -170.808 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.9 116.11 64.97 Favored Pre-proline 1 C--N 1.479 6.204 0 CA-C-O 122.492 1.139 . . . . 0.0 113.18 -170.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -55.29 121.04 9.2 Favored 'Trans proline' 1 C--N 1.485 7.75 1 C-N-CA 127.004 5.136 . . . . 0.0 115.282 -179.574 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 1.029 ' O ' ' HB2' ' A' ' 38' ' ' CYS 0.363 7.3 t -131.25 84.37 2.17 Favored 'General case' 1 C--N 1.476 6.102 0 CA-C-O 127.33 3.443 . . . . 0.0 108.689 171.117 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -90.61 0.0 OUTLIER 'General case' 1 C--N 1.506 7.371 0 O-C-N 118.607 -2.558 . . . . 0.0 112.761 -167.639 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -68.3 0.29 Allowed 'General case' 1 C--N 1.482 6.332 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 171.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 0.5 OUTLIER -176.92 66.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.177 0 CA-C-O 123.712 1.72 . . . . 0.0 110.351 166.967 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -40.95 94.02 0.07 OUTLIER Pre-proline 1 C--N 1.478 6.189 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.93 -156.5 0.07 OUTLIER 'Trans proline' 1 C--N 1.478 7.355 1 C-N-CA 127.721 5.614 . . . . 0.0 113.084 178.205 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' A' ' 76' ' ' LYS . 1.1 t0 -128.65 -96.54 0.39 Allowed 'General case' 1 C--N 1.477 6.147 0 CA-C-O 121.633 0.73 . . . . 0.0 110.808 171.528 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 75' ' ' ASP . 10.9 tttp -157.63 135.88 11.05 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.463 0.649 . . . . 0.0 110.681 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.37 -52.47 0.01 OUTLIER 'General case' 1 C--N 1.477 6.114 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 171.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 168.01 104.76 0.04 OUTLIER Pre-proline 1 C--N 1.48 6.278 0 CA-C-O 121.92 0.867 . . . . 0.0 110.927 173.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -36.91 155.11 0.02 OUTLIER 'Trans proline' 1 C--N 1.477 7.305 1 C-N-CA 126.381 4.721 . . . . 0.0 114.922 -179.88 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 73.91 96.26 0.07 Allowed 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.753 0.787 . . . . 0.0 111.291 -177.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.51 169.98 0.02 OUTLIER 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.822 0.82 . . . . 0.0 111.213 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -144.34 129.91 19.04 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.728 0.775 . . . . 0.0 110.954 173.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -75.03 -37.23 61.81 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.739 0.78 . . . . 0.0 111.006 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.98 -130.92 0.01 OUTLIER 'General case' 1 C--N 1.479 6.197 0 O-C-N 121.891 -0.506 . . . . 0.0 110.737 -172.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 t0 84.04 -164.53 0.01 OUTLIER 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.052 -1.03 . . . . 0.0 110.662 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? 53.15 26.09 4.74 Favored 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.751 0.786 . . . . 0.0 110.947 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -100.95 -40.05 7.51 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.77 0.795 . . . . 0.0 110.97 -179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.24 163.5 13.57 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.761 0.791 . . . . 0.0 110.983 173.569 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -102.6 -71.94 0.71 Allowed 'General case' 1 C--N 1.479 6.203 0 CA-C-O 121.777 0.798 . . . . 0.0 111.114 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.87 151.53 27.26 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.735 0.779 . . . . 0.0 111.024 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.81 125.22 14.75 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.771 0.796 . . . . 0.0 110.999 -177.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 . . . . . 1 C--N 1.479 6.226 0 CA-C-O 121.985 0.898 . . . . 0.0 110.832 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.727 0.775 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 110.33 5.27 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.76 0.791 . . . . 0.0 110.971 -179.287 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -151.2 70.25 0.97 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.935 0.874 . . . . 0.0 110.967 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.59 16.96 4.17 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.371 0.605 . . . . 0.0 111.466 -176.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -84.66 -39.74 18.25 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.72 0.771 . . . . 0.0 111.069 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.15 135.16 57.67 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.79 0.805 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.39 103.29 11.04 Favored 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.773 0.797 . . . . 0.0 110.962 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.42 147.83 23.82 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.866 0.841 . . . . 0.0 111.072 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.417 ' OD2' ' HD2' ' A' ' 54' ' ' PHE . 1.8 m-20 -55.33 -19.86 9.93 Favored 'General case' 1 C--N 1.481 6.295 0 CA-C-O 121.845 0.831 . . . . 0.0 110.871 172.204 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.22 -49.67 68.8 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.881 0.848 . . . . 0.0 110.867 177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.79 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -67.89 -46.75 70.75 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.473 1.13 . . . . 0.0 110.934 -176.737 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.79 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.8 mpt_? -40.71 -70.27 0.11 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 124.69 2.186 . . . . 0.0 112.214 173.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.7 t-105 -72.14 -28.56 63.33 Favored 'General case' 1 C--N 1.489 6.639 0 O-C-N 120.622 -1.298 . . . . 0.0 111.204 -170.537 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.22 -34.25 63.79 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 122.097 0.951 . . . . 0.0 109.572 171.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 1.6 t -58.85 -41.2 86.43 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.647 171.534 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.8 t -53.86 -57.26 5.95 Favored 'Isoleucine or valine' 1 C--N 1.494 6.851 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.017 171.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.28 -45.56 34.86 Favored 'General case' 1 C--N 1.476 6.097 0 CA-C-O 123.75 1.738 . . . . 0.0 109.084 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.94 62.12 6.72 Favored 'General case' 1 C--N 1.486 6.538 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.163 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -29.37 -45.49 0.05 OUTLIER 'General case' 1 C--N 1.48 6.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.868 172.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -51.22 110.44 1.79 Allowed Pre-proline 1 C--N 1.479 6.218 0 O-C-N 121.275 -0.891 . . . . 0.0 110.671 172.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -39.19 80.11 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.387 1 C-N-CA 126.588 4.859 . . . . 0.0 115.281 -179.115 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -87.84 -74.48 0.45 Allowed 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.92 0.866 . . . . 0.0 110.916 173.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.1 12.08 34.42 Favored 'General case' 1 C--N 1.48 6.272 0 CA-C-O 121.476 0.655 . . . . 0.0 111.383 177.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -83.82 0.01 OUTLIER 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.776 0.798 . . . . 0.0 110.706 -174.508 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.35 -83.14 1.5 Allowed Glycine 1 C--N 1.478 8.442 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 171.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.53 10.59 1.1 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.299 0.571 . . . . 0.0 111.054 172.116 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.701 ' HE1' ' HG3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -77.09 161.16 28.49 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 123.049 1.404 . . . . 0.0 112.925 -170.509 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.969 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.7 m -128.99 160.35 39.95 Favored 'Isoleucine or valine' 1 C--N 1.483 6.383 0 C-N-CA 124.432 1.093 . . . . 0.0 109.876 -172.144 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -134.88 159.63 40.79 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.523 -1.361 . . . . 0.0 109.895 174.283 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.92 5.57 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 120.971 -1.081 . . . . 0.0 111.6 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.954 HG21 ' HB3' ' A' ' 47' ' ' ALA . 7.7 p -96.35 102.27 13.32 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.007 176.158 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.21 50.65 2.02 Favored 'General case' 1 C--N 1.478 6.153 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.409 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -44.18 8.02 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 120.434 -1.416 . . . . 0.0 110.043 178.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.4 m -112.27 -40.55 4.13 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-O 122.47 1.129 . . . . 0.0 110.013 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.03 72.14 0.14 Allowed Glycine 1 C--N 1.486 8.869 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.368 171.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -137.75 136.3 45.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.235 0 O-C-N 121.077 -1.249 . . . . 0.0 111.482 171.455 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.005 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.4 p90 -112.94 111.58 22.44 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.417 -0.802 . . . . 0.0 109.167 171.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.8 t -127.47 159.19 35.3 Favored 'General case' 1 C--N 1.478 6.167 0 O-C-N 120.242 -1.536 . . . . 0.0 112.79 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.19 122.8 87.51 Favored Pre-proline 1 C--N 1.475 6.046 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 167.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.701 ' HG3' ' HE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -13.69 59.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.887 1 C-N-CA 128.577 6.185 . . . . 0.0 120.083 -176.56 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.48 118.41 0.04 OUTLIER 'General case' 1 C--N 1.48 6.277 0 O-C-N 120.814 -1.179 . . . . 0.0 113.147 171.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 10.3 m -142.43 96.37 2.94 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 120.408 -1.433 . . . . 0.0 109.981 168.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -2.19 -74.04 0.0 OUTLIER 'General case' 1 C--N 1.477 6.109 0 C-N-CA 125.63 1.572 . . . . 0.0 113.085 170.506 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 102.17 0.04 OUTLIER 'General case' 1 C--N 1.483 6.384 0 O-C-N 121.443 -0.785 . . . . 0.0 110.175 172.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.37 98.23 0.01 OUTLIER 'General case' 1 C--N 1.481 6.304 0 CA-C-O 122.824 1.297 . . . . 0.0 110.81 -170.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.33 156.15 0.12 Allowed 'General case' 1 C--N 1.484 6.413 0 CA-C-O 122.644 1.212 . . . . 0.0 112.605 -171.166 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.954 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -54.97 -173.19 0.0 OUTLIER 'General case' 1 C--N 1.483 6.405 0 CA-C-O 121.949 0.88 . . . . 0.0 110.836 173.197 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.873 ' HB2' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.89 176.5 8.85 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.895 0.855 . . . . 0.0 110.863 -176.998 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 14.11 7.46 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.321 1.058 . . . . 0.0 111.4 171.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 48' ' ' LEU . 4.2 mt-10 -88.49 -16.56 32.39 Favored 'General case' 1 C--N 1.483 6.4 0 O-C-N 121.273 -0.892 . . . . 0.0 112.831 -170.414 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.479 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -135.76 24.0 3.37 Favored 'General case' 1 C--N 1.471 5.86 0 CA-C-O 125.443 2.544 . . . . 0.0 107.102 178.725 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.54 153.41 4.68 Favored 'Isoleucine or valine' 1 C--N 1.5 7.121 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.122 -165.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 172.45 7.77 Favored 'General case' 1 C--N 1.476 6.092 0 O-C-N 119.814 -1.804 . . . . 0.0 110.919 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 26.1 m-85 -143.75 132.97 23.1 Favored 'General case' 1 C--N 1.481 6.314 0 CA-C-O 123.006 1.384 . . . . 0.0 111.585 -176.63 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.63 160.66 39.36 Favored 'General case' 1 C--N 1.481 6.283 0 C-N-CA 124.148 0.979 . . . . 0.0 110.073 -171.478 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -28.72 55.96 Favored 'General case' 1 C--N 1.48 6.27 0 O-C-N 119.381 -2.074 . . . . 0.0 112.884 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 11.0 t-20 -146.12 159.11 43.74 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.1 -1.0 . . . . 0.0 112.054 176.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.898 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.04 -8.88 41.54 Favored 'General case' 1 C--N 1.482 6.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.145 173.342 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 1.1 p -66.24 -32.48 73.93 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.296 -0.878 . . . . 0.0 110.752 173.111 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.877 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -70.1 -57.01 5.45 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.441 0.638 . . . . 0.0 111.452 173.507 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -57.25 -16.62 8.83 Favored 'General case' 1 C--N 1.479 6.202 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -49.35 9.81 Favored 'General case' 1 C--N 1.476 6.088 0 O-C-N 120.598 -1.314 . . . . 0.0 109.865 170.511 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.21 -22.11 4.04 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.712 0.768 . . . . 0.0 111.091 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -71.74 -42.35 67.38 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.682 1.23 . . . . 0.0 109.544 172.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.82 36.05 2.87 Favored Glycine 1 C--N 1.483 8.737 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 173.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.005 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.99 -165.46 1.19 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-N 114.601 -0.8 . . . . 0.0 111.716 -171.182 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.78 ' HD3' ' N ' ' A' ' 68' ' ' PRO . 7.4 tpp85 -97.61 117.74 64.99 Favored Pre-proline 1 C--N 1.479 6.209 0 O-C-N 120.728 -1.232 . . . . 0.0 112.302 178.271 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.78 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 55.8 Cg_endo -62.3 103.43 0.31 Allowed 'Trans proline' 1 C--N 1.48 7.495 1 C-N-CA 126.963 5.109 . . . . 0.0 114.915 -178.823 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.569 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 t -113.47 96.72 6.04 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.43 -89.64 0.12 Allowed 'General case' 1 C--N 1.495 6.905 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.946 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -68.75 0.24 Allowed 'General case' 1 C--N 1.477 6.141 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 169.408 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER 178.78 66.71 0.01 OUTLIER 'General case' 1 C--N 1.479 6.215 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 169.044 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.578 ' HB2' ' HD3' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -39.53 -64.38 0.53 Allowed Pre-proline 1 C--N 1.473 5.969 0 CA-C-O 122.244 1.021 . . . . 0.0 112.083 -172.186 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.629 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 65.4 Cg_exo -48.49 -179.94 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.378 1 C-N-CA 126.391 4.727 . . . . 0.0 114.682 -179.62 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 1.7 t70 166.69 88.01 0.0 OUTLIER 'General case' 1 C--N 1.478 6.156 0 CA-C-O 121.706 0.765 . . . . 0.0 110.806 178.432 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -77.0 -15.39 59.65 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 -172.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -22.06 -82.19 0.01 OUTLIER 'General case' 1 C--N 1.477 6.123 0 CA-C-O 121.946 0.879 . . . . 0.0 113.359 171.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.93 59.49 0.02 OUTLIER Pre-proline 1 C--N 1.481 6.325 0 CA-C-O 122.818 1.294 . . . . 0.0 110.853 172.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -73.02 -27.0 14.53 Favored 'Trans proline' 1 C--N 1.483 7.636 1 C-N-CA 126.324 4.682 . . . . 0.0 115.624 -179.321 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 87.05 -20.66 0.21 Allowed 'General case' 1 C--N 1.478 6.176 0 CA-C-O 121.294 0.569 . . . . 0.0 111.882 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 61.29 87.47 0.09 Allowed 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.689 0.757 . . . . 0.0 111.011 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -91.92 130.12 37.74 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 122.021 0.915 . . . . 0.0 110.958 175.58 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 43.05 -106.15 0.08 Allowed 'General case' 1 C--N 1.48 6.265 0 O-C-N 121.845 -0.534 . . . . 0.0 111.557 172.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER 46.83 53.21 10.59 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.046 -1.034 . . . . 0.0 111.242 172.071 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.5 146.4 24.14 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.773 0.797 . . . . 0.0 110.984 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -76.27 137.2 39.77 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.781 0.801 . . . . 0.0 110.999 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 tt -133.44 -51.84 0.67 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.221 0 CA-C-O 121.775 0.798 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 t -121.04 156.06 33.01 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.727 0.775 . . . . 0.0 110.949 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -101.6 103.15 13.96 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.742 0.782 . . . . 0.0 111.094 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.7 -147.5 0.21 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.69 0.757 . . . . 0.0 111.025 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.34 36.63 2.09 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.729 0.776 . . . . 0.0 110.94 174.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 1 C--N 1.479 6.202 0 CA-C-O 122.044 0.926 . . . . 0.0 110.956 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.431 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 121.94 0.876 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -134.55 141.86 46.81 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.735 0.778 . . . . 0.0 111.45 -171.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.15 119.08 0.04 OUTLIER 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.53 1.157 . . . . 0.0 111.047 171.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.75 -147.8 0.13 Allowed 'General case' 1 C--N 1.484 6.436 0 O-C-N 121.081 -1.012 . . . . 0.0 111.082 -176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 p -104.68 -167.51 1.36 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.787 0.803 . . . . 0.0 111.021 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.83 117.18 21.91 Favored 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.756 0.789 . . . . 0.0 110.98 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 mt -85.51 4.97 33.41 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.256 0.55 . . . . 0.0 111.599 -172.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -126.82 -56.97 1.36 Allowed 'General case' 1 C--N 1.479 6.199 0 O-C-N 121.432 -0.792 . . . . 0.0 110.855 -173.588 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -39.38 61.38 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 122.203 1.001 . . . . 0.0 110.95 -178.067 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -29.42 36.8 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.975 -173.287 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -68.72 -47.04 67.36 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 122.443 1.116 . . . . 0.0 110.812 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.787 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -41.7 -71.06 0.09 Allowed 'General case' 1 C--N 1.479 6.212 0 CA-C-O 124.028 1.871 . . . . 0.0 113.131 177.308 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.722 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 50.3 t-105 -77.36 -32.12 54.83 Favored 'General case' 1 C--N 1.484 6.417 0 O-C-N 120.678 -1.264 . . . . 0.0 112.905 -168.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.4 -22.29 19.29 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-O 122.204 1.002 . . . . 0.0 109.444 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.787 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 65.9 m -71.45 -44.33 65.01 Favored 'General case' 1 C--N 1.483 6.404 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.707 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -49.98 -56.84 2.83 Favored 'Isoleucine or valine' 1 C--N 1.496 6.944 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.014 171.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -49.37 -43.64 44.23 Favored 'General case' 1 C--N 1.476 6.098 0 CA-C-O 123.489 1.614 . . . . 0.0 109.791 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.43 55.58 3.61 Favored 'General case' 1 C--N 1.486 6.514 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.198 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -35.96 0.23 Allowed 'General case' 1 C--N 1.479 6.214 0 O-C-N 121.468 -0.77 . . . . 0.0 111.37 171.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -39.64 103.3 0.28 Allowed Pre-proline 1 C--N 1.479 6.197 0 CA-C-O 121.759 0.79 . . . . 0.0 110.212 171.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -23.19 69.81 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.268 1 C-N-CA 127.967 5.778 . . . . 0.0 117.736 -178.454 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -89.2 -74.69 0.46 Allowed 'General case' 1 C--N 1.482 6.338 0 CA-C-O 122.277 1.037 . . . . 0.0 110.961 171.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' OE2' ' A' ' 26' ' ' GLU . . . -139.67 35.15 2.0 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 121.652 0.739 . . . . 0.0 111.209 -172.023 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -41.75 83.2 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.815 0.817 . . . . 0.0 110.822 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -16.44 64.13 Favored Glycine 1 C--N 1.479 8.505 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' OE2' ' HB1' ' A' ' 23' ' ' ALA . 7.2 pt-20 -107.74 13.46 26.45 Favored 'General case' 1 C--N 1.482 6.335 0 O-C-N 121.314 -1.11 . . . . 0.0 112.181 -171.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -169.11 158.94 8.77 Favored 'General case' 1 C--N 1.48 6.241 0 CA-C-O 123.064 1.412 . . . . 0.0 113.139 175.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.4 m -136.5 153.57 31.07 Favored 'Isoleucine or valine' 1 C--N 1.486 6.543 0 O-C-N 120.902 -1.124 . . . . 0.0 109.7 -172.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 40' ' ' PRO . 19.0 p90 -135.72 142.33 45.03 Favored 'General case' 1 C--N 1.477 6.115 0 O-C-N 121.059 -1.025 . . . . 0.0 110.083 -172.339 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -122.14 107.14 11.83 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.378 -0.826 . . . . 0.0 111.3 -175.15 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.052 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.3 p -84.1 106.62 14.6 Favored 'Isoleucine or valine' 1 C--N 1.479 6.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.061 171.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -80.39 10.28 4.81 Favored 'General case' 1 C--N 1.48 6.243 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 31' ' ' VAL . 8.7 t -91.14 -33.24 15.52 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 120.95 -1.094 . . . . 0.0 110.759 178.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -102.92 2.68 35.52 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 171.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.78 45.62 93.26 Favored Glycine 1 C--N 1.48 8.569 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 174.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.5 pt -132.6 142.7 41.82 Favored 'Isoleucine or valine' 1 C--N 1.481 6.321 0 CA-C-O 122.156 0.979 . . . . 0.0 112.3 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.998 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.1 p90 -116.99 129.85 56.3 Favored 'General case' 1 C--N 1.479 6.209 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 7.1 t -146.15 159.68 42.97 Favored 'General case' 1 C--N 1.475 6.045 0 O-C-N 120.944 -1.097 . . . . 0.0 111.682 -171.128 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -74.82 114.48 34.98 Favored Pre-proline 1 C--N 1.477 6.139 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 168.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HA ' ' HE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -20.36 79.58 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.091 1 C-N-CA 127.013 5.142 . . . . 0.0 116.406 -177.613 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.19 14.47 0.0 OUTLIER 'General case' 1 C--N 1.489 6.663 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 174.408 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.9 m -44.27 138.41 3.08 Favored 'General case' 1 C--N 1.478 6.152 0 CA-C-N 122.411 2.369 . . . . 0.0 110.413 171.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 72' ' ' CYS . 4.7 mtp180 -95.53 -3.07 47.24 Favored 'General case' 1 C--N 1.479 6.216 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.72 -178.93 3.87 Favored 'General case' 1 C--N 1.477 6.144 0 CA-C-O 122.946 1.355 . . . . 0.0 109.728 170.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 94.07 0.01 OUTLIER 'General case' 1 C--N 1.489 6.671 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.618 172.389 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -23.69 112.16 0.03 OUTLIER 'General case' 1 C--N 1.477 6.149 0 C-N-CA 124.365 1.066 . . . . 0.0 113.753 -170.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.052 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -40.05 156.65 0.02 OUTLIER 'General case' 1 C--N 1.482 6.339 0 CA-C-O 121.863 0.84 . . . . 0.0 111.043 174.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.641 ' HB3' ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.12 129.48 34.49 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.48 0.657 . . . . 0.0 111.096 -174.662 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -62.97 -15.16 55.02 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.734 0.778 . . . . 0.0 111.602 171.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -86.93 0.62 54.76 Favored 'General case' 1 C--N 1.48 6.273 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.239 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.527 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.26 21.37 2.98 Favored 'General case' 1 C--N 1.47 5.805 0 CA-C-O 125.275 2.464 . . . . 0.0 107.327 171.018 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -100.48 145.29 11.27 Favored 'Isoleucine or valine' 1 C--N 1.497 7.013 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.327 -164.727 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 176.63 5.08 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 120.33 -1.481 . . . . 0.0 110.901 175.352 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.709 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 97.8 m-85 -140.11 148.87 42.33 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 123.384 1.564 . . . . 0.0 113.111 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.976 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -146.93 161.46 40.7 Favored 'General case' 1 C--N 1.482 6.331 0 C-N-CA 124.728 1.211 . . . . 0.0 109.844 -178.742 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.0 54.08 Favored 'General case' 1 C--N 1.48 6.276 0 O-C-N 119.105 -2.247 . . . . 0.0 113.136 172.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 25.9 t-20 -160.96 162.6 31.98 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.008 -1.057 . . . . 0.0 112.063 178.482 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -51.17 -21.76 2.19 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-O 121.706 0.765 . . . . 0.0 111.179 175.217 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -51.62 -56.02 15.95 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.141 0.972 . . . . 0.0 110.984 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.935 ' HG3' ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.82 -41.79 59.26 Favored 'General case' 1 C--N 1.482 6.333 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.263 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -59.03 -23.82 62.29 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 120.812 -1.18 . . . . 0.0 113.573 171.402 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -81.43 -52.65 7.03 Favored 'General case' 1 C--N 1.477 6.135 0 O-C-N 120.633 -1.292 . . . . 0.0 110.57 173.364 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.49 -19.63 3.91 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.534 0.683 . . . . 0.0 110.776 171.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -68.01 -43.77 78.09 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.143 1.449 . . . . 0.0 108.115 171.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 109.74 36.72 1.99 Allowed Glycine 1 C--N 1.486 8.88 0 CA-C-N 113.834 -1.53 . . . . 0.0 109.394 171.674 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.998 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -105.45 -174.09 2.45 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.709 -0.746 . . . . 0.0 112.472 -171.01 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.912 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 1.4 tpp85 -94.79 118.39 66.78 Favored Pre-proline 1 C--N 1.479 6.203 0 O-C-N 121.134 -0.979 . . . . 0.0 111.232 -172.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.912 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 78.9 Cg_endo -65.84 91.43 0.25 Allowed 'Trans proline' 1 C--N 1.486 7.791 1 C-N-CA 127.771 5.647 . . . . 0.0 119.828 -177.882 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.977 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 37.4 t -103.31 93.92 5.23 Favored 'General case' 1 C--N 1.479 6.239 0 CA-C-O 125.011 2.338 . . . . 0.0 110.215 170.037 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -122.14 31.41 6.19 Favored 'General case' 1 C--N 1.5 7.123 0 CA-C-O 123.011 1.386 . . . . 0.0 111.371 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER 179.49 47.22 0.0 OUTLIER 'General case' 1 C--N 1.482 6.362 0 CA-C-O 121.927 0.87 . . . . 0.0 109.419 -176.561 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.534 ' HB3' ' HG3' ' A' ' 43' ' ' ARG 0.397 85.9 m 7.74 54.28 0.0 OUTLIER 'General case' 1 C--N 1.477 6.14 1 CA-C-O 131.719 5.533 . . . . 0.0 107.227 -167.29 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -41.19 91.56 0.05 OUTLIER Pre-proline 1 C--N 1.53 8.42 0 CA-C-N 109.104 -3.68 . . . . 0.0 116.41 177.684 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -97.85 12.95 0.84 Allowed 'Trans proline' 1 C--N 1.479 7.402 1 C-N-CA 128.014 5.809 . . . . 0.0 115.613 177.98 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.62 46.04 1.0 Allowed 'General case' 1 C--N 1.48 6.24 0 O-C-N 120.737 -1.227 . . . . 0.0 112.707 -170.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -32.3 20.71 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.269 -0.894 . . . . 0.0 110.555 171.591 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -21.6 -49.07 0.01 OUTLIER 'General case' 1 C--N 1.477 6.15 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 71.92 56.99 0.39 Allowed Pre-proline 1 C--N 1.481 6.321 0 CA-C-O 122.597 1.189 . . . . 0.0 110.725 -174.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.86 -89.36 0.0 OUTLIER 'Trans proline' 1 C--N 1.48 7.455 1 C-N-CA 126.347 4.698 . . . . 0.0 114.843 -179.88 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -172.92 -41.16 0.01 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.736 0.779 . . . . 0.0 111.066 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -46.16 119.02 2.12 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.696 0.76 . . . . 0.0 111.126 -172.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 69.54 0.01 OUTLIER 'General case' 1 C--N 1.479 6.21 0 CA-C-O 122.644 1.212 . . . . 0.0 110.715 173.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -91.12 148.96 22.01 Favored 'General case' 1 C--N 1.482 6.365 0 CA-C-O 121.8 0.81 . . . . 0.0 111.222 -173.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.74 4.33 44.61 Favored 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.781 -0.574 . . . . 0.0 111.575 172.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -165.94 93.58 0.54 Allowed 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.842 0.829 . . . . 0.0 111.113 -172.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -174.76 -40.07 0.01 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.748 0.785 . . . . 0.0 111.155 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -99.71 30.99 0.46 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-O 121.856 0.836 . . . . 0.0 110.911 -173.651 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 p -120.54 167.07 12.77 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.747 0.784 . . . . 0.0 111.059 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.21 98.11 7.44 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.758 0.789 . . . . 0.0 111.005 172.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.74 -152.94 0.37 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.747 0.784 . . . . 0.0 110.999 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.22 133.62 38.83 Favored 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.824 0.821 . . . . 0.0 110.961 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 . . . . . 1 C--N 1.479 6.23 0 CA-C-O 122.006 0.907 . . . . 0.0 111.006 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.643 0 CA-C-O 121.533 0.682 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -153.93 42.52 0.54 Allowed 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.727 0.775 . . . . 0.0 111.039 -172.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -113.18 -170.03 1.6 Allowed 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.776 0.798 . . . . 0.0 110.992 174.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.03 9.36 17.36 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.433 0.635 . . . . 0.0 111.553 -172.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -129.03 -42.78 1.36 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.729 0.776 . . . . 0.0 111.02 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -86.03 106.01 16.88 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.8 0.81 . . . . 0.0 111.003 173.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD12 ' HG3' ' A' ' 11' ' ' GLN . 28.8 mt -78.66 -100.27 0.02 OUTLIER 'General case' 1 C--N 1.48 6.265 0 CA-C-O 121.46 0.648 . . . . 0.0 110.96 -175.532 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.12 -172.36 4.22 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.941 0.877 . . . . 0.0 111.86 -174.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -22.51 32.92 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 121.772 0.796 . . . . 0.0 111.013 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.39 -41.9 96.42 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.536 0.684 . . . . 0.0 110.985 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.743 ' HG3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.9 -46.46 68.28 Favored 'General case' 1 C--N 1.48 6.244 0 CA-C-O 122.547 1.165 . . . . 0.0 111.111 -178.291 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' CA ' ' HE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -41.01 -68.28 0.19 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 125.195 2.426 . . . . 0.0 112.59 174.616 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.072 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 44.6 t-105 -75.58 -17.52 60.01 Favored 'General case' 1 C--N 1.491 6.732 0 O-C-N 120.432 -1.418 . . . . 0.0 110.686 -170.363 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -65.56 -32.76 74.53 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.473 1.13 . . . . 0.0 108.911 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.537 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -55.96 -40.05 72.66 Favored 'General case' 1 C--N 1.483 6.379 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.194 170.55 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.253 2.4 t -64.95 -57.91 9.24 Favored 'Isoleucine or valine' 1 C--N 1.499 7.085 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.254 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD21 ' HE1' ' A' ' 13' ' ' TRP . 15.2 mt -51.79 -50.88 59.86 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 119.279 -2.138 . . . . 0.0 112.315 -175.637 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 1.26 27.36 Favored 'General case' 1 C--N 1.487 6.577 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -168.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 0.96 63.01 0.0 OUTLIER 'General case' 1 C--N 1.476 6.099 0 C-N-CA 125.387 1.475 . . . . 0.0 114.476 -170.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 22.4 t0 -84.95 -47.26 0.64 Allowed Pre-proline 1 C--N 1.478 6.16 0 CA-C-O 122.456 1.122 . . . . 0.0 109.418 170.341 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 20' ' ' ASP . 11.4 Cg_endo -93.71 -173.94 0.38 Allowed 'Trans proline' 2 C--N 1.477 7.304 1 C-N-CA 126.856 5.037 . . . . 0.0 113.065 178.045 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -89.25 -74.01 0.49 Allowed 'General case' 1 C--N 1.476 6.079 0 CA-C-O 123.472 1.606 . . . . 0.0 109.702 171.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.932 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . . . -152.0 89.4 1.45 Allowed 'General case' 1 C--N 1.481 6.314 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.344 170.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -38.8 114.23 0.37 Allowed 'General case' 1 C--N 1.478 6.173 0 CA-C-O 123.776 1.75 . . . . 0.0 111.416 -171.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.25 -84.1 1.0 Allowed Glycine 1 C--N 1.478 8.429 0 N-CA-C 104.797 -3.321 . . . . 0.0 104.797 170.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.26 21.57 0.1 Allowed 'General case' 1 C--N 1.474 5.994 0 CA-C-N 114.054 -1.073 . . . . 0.0 110.626 166.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -57.03 172.91 0.24 Allowed 'General case' 1 C--N 1.487 6.556 0 CA-C-O 122.136 0.97 . . . . 0.0 112.782 -170.035 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.737 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -150.84 159.54 4.42 Favored 'Isoleucine or valine' 1 C--N 1.48 6.279 0 O-C-N 121.316 -0.865 . . . . 0.0 111.096 -169.006 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -138.83 132.13 30.05 Favored 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 178.822 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -118.45 107.98 14.47 Favored 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.836 0.827 . . . . 0.0 111.563 -172.023 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.105 HG21 ' HB1' ' A' ' 47' ' ' ALA . 7.3 p -95.28 96.78 6.08 Favored 'Isoleucine or valine' 1 C--N 1.478 6.196 0 O-C-N 121.913 -0.492 . . . . 0.0 110.407 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -86.15 79.34 9.15 Favored 'General case' 1 C--N 1.48 6.277 0 O-C-N 121.273 -0.892 . . . . 0.0 112.29 -171.413 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.52 -54.21 0.61 Allowed 'General case' 1 C--N 1.478 6.165 0 CA-C-O 121.9 0.857 . . . . 0.0 110.574 173.023 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.91 3.1 49.74 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 171.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.49 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.38 51.14 6.85 Favored Glycine 1 C--N 1.479 8.504 0 O-C-N 121.364 -0.835 . . . . 0.0 111.566 172.036 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -131.85 132.67 61.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.238 0 O-C-N 121.458 -1.025 . . . . 0.0 110.913 171.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.128 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.1 p90 -119.96 146.43 45.84 Favored 'General case' 1 C--N 1.477 6.135 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.412 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.612 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 7.6 t -156.74 157.92 35.97 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -168.12 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.932 ' HD2' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -77.33 105.01 2.08 Favored Pre-proline 1 C--N 1.475 6.052 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 166.745 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -15.36 83.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.023 1 C-N-CA 127.391 5.394 . . . . 0.0 118.17 -176.633 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 26.06 0.0 OUTLIER 'General case' 1 C--N 1.489 6.647 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 172.021 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.04 118.92 6.87 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-N 122.417 2.371 . . . . 0.0 109.209 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -76.98 -34.02 57.58 Favored 'General case' 1 C--N 1.479 6.224 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -168.322 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -170.88 0.01 OUTLIER 'General case' 1 C--N 1.479 6.205 0 O-C-N 120.567 -1.333 . . . . 0.0 109.34 170.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.6 87.49 0.01 OUTLIER 'General case' 1 C--N 1.488 6.601 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.686 171.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -68.29 155.05 40.54 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.58 1.181 . . . . 0.0 113.288 -170.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.105 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -49.58 147.52 3.43 Favored 'General case' 1 C--N 1.485 6.477 0 CA-C-O 121.795 0.807 . . . . 0.0 111.006 -172.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD22 ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -79.23 159.07 27.47 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.736 0.779 . . . . 0.0 110.627 172.064 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.05 13.16 9.77 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.337 0.589 . . . . 0.0 110.872 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.678 ' OE2' HD22 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -87.88 -25.52 23.22 Favored 'General case' 1 C--N 1.479 6.232 0 O-C-N 121.653 -0.655 . . . . 0.0 112.467 -171.022 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.516 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.28 8.6 p-10 -130.39 18.69 5.33 Favored 'General case' 1 C--N 1.468 5.72 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -172.965 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -98.58 145.45 9.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.473 -163.415 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -116.68 -177.52 3.21 Favored 'General case' 1 C--N 1.477 6.138 0 O-C-N 120.235 -1.54 . . . . 0.0 110.881 173.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.072 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.6 m-85 -150.46 133.03 15.74 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.152 -0.968 . . . . 0.0 112.188 -176.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.881 ' HB3' ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -135.37 154.33 51.53 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 121.714 -0.616 . . . . 0.0 110.261 -179.67 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -17.62 61.4 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.419 -1.425 . . . . 0.0 111.918 -175.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.19 166.6 29.37 Favored 'General case' 1 C--N 1.481 6.319 0 CA-C-O 122.837 1.303 . . . . 0.0 112.296 171.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.81 -54.46 9.79 Favored 'General case' 1 C--N 1.483 6.371 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t -48.52 -19.45 0.33 Allowed 'General case' 1 C--N 1.479 6.227 0 O-C-N 121.067 -1.021 . . . . 0.0 112.862 -170.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.881 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -77.59 -69.04 0.56 Allowed 'General case' 1 C--N 1.477 6.144 0 O-C-N 121.054 -1.028 . . . . 0.0 111.166 171.975 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.821 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -50.25 -15.72 0.26 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -86.88 -44.36 11.74 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 174.804 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -30.36 25.7 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.801 0.81 . . . . 0.0 110.644 171.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.23 89.12 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.875 1.322 . . . . 0.0 108.746 171.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 100.33 46.2 1.88 Allowed Glycine 1 C--N 1.485 8.846 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 171.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.128 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -110.15 -178.14 3.44 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-N 115.089 -0.555 . . . . 0.0 112.15 -171.113 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 98.43 3.57 Favored Pre-proline 1 C--N 1.478 6.185 0 O-C-N 120.936 -1.103 . . . . 0.0 111.242 -171.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.611 ' HD3' ' HE1' ' A' ' 37' ' ' PHE . 54.9 Cg_endo -73.13 103.82 1.67 Allowed 'Trans proline' 1 C--N 1.483 7.624 1 C-N-CA 127.066 5.177 . . . . 0.0 121.415 -177.83 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 38' ' ' CYS 0.26 28.2 p -104.39 93.68 4.93 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 124.191 1.948 . . . . 0.0 108.877 166.241 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 9.7 pttm -65.59 -47.5 75.51 Favored 'General case' 1 C--N 1.496 6.962 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.652 -178.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -78.58 -79.41 0.13 Allowed 'General case' 1 C--N 1.477 6.137 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 168.933 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' CYS . 0.8 OUTLIER 177.89 50.98 0.0 OUTLIER 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.294 1.045 . . . . 0.0 111.009 169.387 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -40.1 103.92 0.31 Allowed Pre-proline 1 C--N 1.474 5.997 0 CA-C-O 121.998 0.904 . . . . 0.0 113.058 -177.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 6.3 Cg_endo -94.32 138.98 1.17 Allowed 'Trans proline' 1 C--N 1.478 7.377 1 C-N-CA 127.422 5.415 . . . . 0.0 114.591 179.15 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.5 t0 163.42 84.23 0.0 OUTLIER 'General case' 1 C--N 1.48 6.269 0 O-C-N 121.293 -0.879 . . . . 0.0 111.455 171.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -122.87 -94.65 0.49 Allowed 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.985 -0.447 . . . . 0.0 110.107 171.428 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -29.76 113.5 0.09 Allowed 'General case' 1 C--N 1.475 6.04 0 O-C-N 121.701 -0.624 . . . . 0.0 111.436 170.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 79' ' ' PRO . 51.6 t-20 -40.23 102.0 0.25 Allowed Pre-proline 1 C--N 1.478 6.177 0 CA-C-O 122.05 0.929 . . . . 0.0 111.843 -171.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 78' ' ' ASN . 64.0 Cg_endo -64.62 -36.1 43.96 Favored 'Trans proline' 1 C--N 1.479 7.397 1 C-N-CA 126.298 4.665 . . . . 0.0 114.797 -179.331 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.6 mtm105 -47.61 153.52 0.56 Allowed 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.727 0.775 . . . . 0.0 110.944 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 76.6 153.5 0.14 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.742 0.782 . . . . 0.0 111.0 176.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -90.9 131.82 36.3 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.769 0.795 . . . . 0.0 110.973 -174.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -77.38 139.78 39.79 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.772 0.796 . . . . 0.0 111.003 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.96 108.7 20.99 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.826 0.822 . . . . 0.0 111.012 174.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -169.38 166.49 10.37 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.763 0.792 . . . . 0.0 111.041 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.19 85.15 2.44 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.698 0.761 . . . . 0.0 110.982 -176.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 tp -109.05 142.13 22.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.182 0 CA-C-O 121.805 0.812 . . . . 0.0 110.957 173.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 m -107.3 98.84 8.43 Favored 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.77 0.795 . . . . 0.0 110.958 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -126.99 -37.21 2.12 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.732 0.777 . . . . 0.0 110.983 -177.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 51.62 -148.42 0.38 Allowed 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.75 0.786 . . . . 0.0 110.953 173.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.54 -40.96 20.24 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.769 0.795 . . . . 0.0 110.958 -178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 . . . . . 1 C--N 1.479 6.199 0 CA-C-O 122.013 0.911 . . . . 0.0 110.989 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.432 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 121.778 0.799 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 144.31 24.9 Favored 'General case' 1 C--N 1.48 6.241 0 CA-C-O 121.808 0.813 . . . . 0.0 110.953 177.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt 46.22 47.25 13.4 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.807 0.813 . . . . 0.0 110.961 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.58 -157.24 0.05 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.568 0.699 . . . . 0.0 110.976 -172.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m 92.81 -54.51 0.01 OUTLIER 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.471 0.653 . . . . 0.0 111.389 173.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.93 179.71 6.96 Favored 'General case' 1 C--N 1.478 6.177 0 CA-C-O 122.089 0.947 . . . . 0.0 111.36 -172.131 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.24 113.15 22.02 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.367 1.079 . . . . 0.0 110.672 -178.05 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -76.08 148.04 38.21 Favored 'General case' 1 C--N 1.482 6.366 0 CA-C-O 122.008 0.908 . . . . 0.0 111.263 -172.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -15.87 6.76 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.913 177.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -50.23 41.88 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.793 0.806 . . . . 0.0 110.929 174.598 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -47.94 75.16 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 123.039 1.399 . . . . 0.0 110.521 177.291 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 12' ' ' ARG . 7.5 mmt85 -42.08 -71.27 0.08 Allowed 'General case' 1 C--N 1.48 6.245 0 CA-C-O 124.491 2.091 . . . . 0.0 113.697 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.639 ' HE1' HD21 ' A' ' 17' ' ' LEU . 59.9 t-105 -78.52 -27.3 46.0 Favored 'General case' 1 C--N 1.485 6.478 0 O-C-N 120.275 -1.516 . . . . 0.0 111.615 -169.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -57.63 -26.06 61.04 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 122.544 1.164 . . . . 0.0 109.041 170.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 t -67.77 -41.88 82.58 Favored 'General case' 1 C--N 1.485 6.481 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.143 172.076 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.255 2.5 t -59.49 -57.53 11.13 Favored 'Isoleucine or valine' 1 C--N 1.494 6.863 0 CA-C-O 121.964 0.888 . . . . 0.0 112.493 171.694 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD21 ' HE1' ' A' ' 13' ' ' TRP . 40.2 mt -48.09 -36.06 12.49 Favored 'General case' 1 C--N 1.476 6.096 0 O-C-N 119.291 -2.131 . . . . 0.0 109.867 176.225 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.2 57.95 4.51 Favored 'General case' 1 C--N 1.488 6.619 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.693 172.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -31.17 -29.82 0.01 OUTLIER 'General case' 1 C--N 1.479 6.225 0 C-N-CA 123.87 0.868 . . . . 0.0 112.514 171.072 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -39.19 141.12 0.67 Allowed Pre-proline 1 C--N 1.478 6.172 0 O-C-N 121.145 -0.972 . . . . 0.0 110.907 175.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -80.82 42.63 1.38 Allowed 'Trans proline' 1 C--N 1.478 7.394 1 C-N-CA 126.737 4.958 . . . . 0.0 115.336 -178.919 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -84.07 -53.29 5.65 Favored 'General case' 1 C--N 1.482 6.352 0 O-C-N 121.219 -0.926 . . . . 0.0 110.93 171.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HB3' ' OG ' ' A' ' 15' ' ' SER . . . -118.99 11.63 12.55 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-O 121.483 0.659 . . . . 0.0 111.389 -172.266 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.22 -64.89 0.78 Allowed 'General case' 1 C--N 1.479 6.216 0 CA-C-O 122.423 1.106 . . . . 0.0 110.898 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.76 12.91 39.13 Favored Glycine 1 C--N 1.481 8.631 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -173.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -92.42 -5.98 50.91 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 121.538 -0.977 . . . . 0.0 111.387 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 15' ' ' SER . 0.1 OUTLIER -169.44 152.62 4.88 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.566 -0.709 . . . . 0.0 111.967 -174.503 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.969 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -106.49 168.46 2.95 Favored 'Isoleucine or valine' 1 C--N 1.481 6.309 0 O-C-N 120.407 -1.433 . . . . 0.0 110.831 -177.482 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HD2' ' CG2' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -140.17 134.69 31.55 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.777 -0.577 . . . . 0.0 110.282 175.913 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.18 90.76 3.32 Favored 'General case' 1 C--N 1.478 6.195 0 O-C-N 121.309 -0.869 . . . . 0.0 111.287 -171.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.053 HG21 ' HB3' ' A' ' 47' ' ' ALA . 8.6 p -74.73 99.87 1.54 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.179 0 CA-C-O 121.548 0.69 . . . . 0.0 110.155 175.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 10.2 ttm180 -85.87 37.42 0.71 Allowed 'General case' 1 C--N 1.481 6.321 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.3 m -114.32 -38.08 4.19 Favored 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.216 -0.927 . . . . 0.0 110.496 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -97.53 4.14 50.46 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 171.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' HE1' ' A' ' 66' ' ' PHE . . . 62.65 47.69 87.23 Favored Glycine 1 C--N 1.481 8.589 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 172.529 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.738 HG13 HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -134.03 136.22 53.86 Favored 'Isoleucine or valine' 1 C--N 1.481 6.325 0 CA-C-O 122.371 1.082 . . . . 0.0 112.141 177.426 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.044 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.2 p90 -119.59 125.1 47.97 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.367 172.255 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.893 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -154.07 161.06 42.18 Favored 'General case' 1 C--N 1.476 6.108 0 O-C-N 120.515 -1.366 . . . . 0.0 111.209 -170.91 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 119.54 77.46 Favored Pre-proline 1 C--N 1.477 6.146 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 170.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -21.26 91.93 0.0 OUTLIER 'Trans proline' 2 C--N 1.475 7.207 1 C-N-CA 127.248 5.299 . . . . 0.0 116.166 -178.216 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -174.53 -21.03 0.01 OUTLIER 'General case' 1 C--N 1.489 6.639 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -36.1 102.42 0.02 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-N 121.057 1.753 . . . . 0.0 112.703 -171.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 2.8 mtt180 -78.36 -0.94 31.0 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.586 -172.219 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.59 -173.59 0.01 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.941 1.353 . . . . 0.0 110.32 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.9 -27.92 0.02 OUTLIER 'General case' 1 C--N 1.489 6.657 0 CA-C-N 114.084 -1.416 . . . . 0.0 110.457 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 59.19 92.36 0.04 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.45 1.119 . . . . 0.0 110.786 171.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.053 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -60.9 178.47 0.24 Allowed 'General case' 1 C--N 1.483 6.382 0 CA-C-O 121.936 0.874 . . . . 0.0 110.929 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.957 HD13 ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -82.2 166.28 19.74 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.714 0.769 . . . . 0.0 110.761 -173.527 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -84.14 11.04 8.73 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.302 0.572 . . . . 0.0 111.499 174.707 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.957 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.19 -13.86 42.76 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.5 -0.75 . . . . 0.0 112.926 -171.028 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.639 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.273 7.9 p-10 -131.48 15.75 4.95 Favored 'General case' 1 C--N 1.468 5.743 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -174.636 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.737 ' CG2' ' HD2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -96.9 132.33 41.6 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 -162.54 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.9 t -113.62 127.86 56.22 Favored 'General case' 1 C--N 1.478 6.19 0 O-C-N 120.559 -1.338 . . . . 0.0 110.818 -173.517 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -101.49 138.9 37.89 Favored 'General case' 1 C--N 1.481 6.283 0 CA-C-O 122.954 1.359 . . . . 0.0 112.433 -171.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.0 m-85 -125.85 165.17 19.18 Favored 'General case' 1 C--N 1.479 6.211 0 C-N-CA 124.705 1.202 . . . . 0.0 110.47 174.054 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.26 43.65 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 119.127 -2.233 . . . . 0.0 112.566 170.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 17.9 t-20 -148.19 157.75 43.68 Favored 'General case' 1 C--N 1.48 6.278 0 O-C-N 120.798 -1.189 . . . . 0.0 111.834 173.09 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.817 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -70.38 0.02 7.35 Favored 'General case' 1 C--N 1.482 6.34 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.833 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.1 t -59.32 -51.15 71.18 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 122.051 0.929 . . . . 0.0 110.796 172.1 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 3.6 pt-20 -72.06 -36.04 69.47 Favored 'General case' 1 C--N 1.482 6.352 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 176.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.936 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -59.74 -41.24 90.51 Favored 'General case' 1 C--N 1.479 6.214 0 O-C-N 120.611 -1.306 . . . . 0.0 113.69 172.277 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -73.67 -51.77 15.56 Favored 'General case' 1 C--N 1.477 6.148 0 O-C-N 121.156 -0.965 . . . . 0.0 110.2 177.839 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.16 -22.13 6.01 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.678 0.752 . . . . 0.0 110.983 171.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.27 -39.41 86.06 Favored 'General case' 1 C--N 1.481 6.29 0 CA-C-O 122.814 1.292 . . . . 0.0 109.162 172.077 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.43 29.32 4.52 Favored Glycine 1 C--N 1.485 8.834 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 173.248 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.044 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -101.98 -173.98 2.47 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-N 114.618 -0.791 . . . . 0.0 111.871 -171.775 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.504 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -94.91 98.83 3.54 Favored Pre-proline 1 C--N 1.479 6.239 0 O-C-N 120.343 -1.473 . . . . 0.0 112.195 -171.61 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 71.3 Cg_exo -56.76 109.41 0.44 Allowed 'Trans proline' 1 C--N 1.482 7.603 1 C-N-CA 127.675 5.583 . . . . 0.0 118.859 -178.625 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.78 115.52 24.63 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.463 1.601 . . . . 0.0 110.601 168.753 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -119.78 25.24 10.11 Favored 'General case' 1 C--N 1.489 6.633 0 CA-C-O 122.51 1.148 . . . . 0.0 110.112 170.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' GLN . 15.9 ttm180 -174.52 46.02 0.01 OUTLIER 'General case' 1 C--N 1.481 6.322 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.842 -172.031 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.265 95.5 m 6.77 56.23 0.0 OUTLIER 'General case' 1 C--N 1.482 6.356 1 CA-C-O 131.109 5.242 . . . . 0.0 107.359 -170.255 . . . . . . . . 4 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.573 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . 1.5 tm0? -40.55 -54.0 5.28 Favored Pre-proline 1 C--N 1.524 8.191 0 CA-C-N 109.24 -3.618 . . . . 0.0 116.488 173.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -28.32 85.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.119 1 C-N-CA 126.485 4.79 . . . . 0.0 115.641 -178.459 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.15 70.92 1.05 Allowed 'General case' 1 C--N 1.483 6.38 0 CA-C-O 121.699 0.761 . . . . 0.0 111.063 -178.453 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -94.3 -18.58 21.49 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.401 -0.812 . . . . 0.0 111.265 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.54 -71.31 0.02 OUTLIER 'General case' 1 C--N 1.477 6.128 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.54 74.62 0.04 OUTLIER Pre-proline 1 C--N 1.48 6.264 0 CA-C-O 122.35 1.072 . . . . 0.0 111.1 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -68.84 167.5 22.98 Favored 'Trans proline' 1 C--N 1.48 7.448 1 C-N-CA 126.337 4.691 . . . . 0.0 114.656 179.201 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 61.49 75.15 0.42 Allowed 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.783 0.802 . . . . 0.0 110.952 174.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.08 -68.64 0.18 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.746 0.784 . . . . 0.0 110.981 178.26 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.48 -153.24 0.02 OUTLIER 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.771 0.796 . . . . 0.0 110.958 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -68.39 114.77 7.12 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.694 0.759 . . . . 0.0 110.95 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.38 28.01 2.52 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.866 0.841 . . . . 0.0 110.981 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 t0 65.67 91.47 0.08 Allowed 'General case' 1 C--N 1.481 6.324 0 CA-C-O 121.787 0.803 . . . . 0.0 110.972 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.62 -79.58 0.22 Allowed 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.761 0.791 . . . . 0.0 110.927 177.166 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.42 179.75 3.62 Favored 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.868 0.842 . . . . 0.0 111.061 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 88' ' ' THR . 2.1 t -132.61 36.06 3.57 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.811 0.815 . . . . 0.0 110.995 178.591 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.87 -173.43 3.03 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.822 0.82 . . . . 0.0 110.867 177.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.98 177.63 0.43 Allowed 'General case' 1 C--N 1.48 6.244 0 CA-C-O 121.927 0.87 . . . . 0.0 110.957 177.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -134.93 79.82 1.81 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.768 0.794 . . . . 0.0 111.009 -175.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 1 C--N 1.479 6.222 0 CA-C-O 122.034 0.921 . . . . 0.0 111.015 -173.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 2.8 ttp . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.851 0.834 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.03 -178.59 0.22 Allowed 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -129.76 98.51 4.83 Favored 'General case' 1 C--N 1.48 6.27 0 CA-C-O 121.825 0.821 . . . . 0.0 111.001 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 5' ' ' THR . . . -75.16 -36.42 61.51 Favored 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.658 0.742 . . . . 0.0 110.983 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 81.84 -14.65 0.77 Allowed 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.182 0.515 . . . . 0.0 111.516 -177.28 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.0 m -80.88 11.83 3.69 Favored 'General case' 1 C--N 1.478 6.185 0 O-C-N 121.461 -0.774 . . . . 0.0 111.605 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.22 66.31 9.49 Favored 'General case' 1 C--N 1.479 6.237 0 O-C-N 121.342 -0.848 . . . . 0.0 110.857 172.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.24 134.47 36.23 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.786 0.803 . . . . 0.0 110.938 -175.207 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -25.11 66.8 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.859 0.838 . . . . 0.0 110.879 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.22 -46.01 18.71 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.973 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -43.74 58.76 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 122.476 1.131 . . . . 0.0 110.795 -177.124 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -40.54 -70.75 0.1 Allowed 'General case' 1 C--N 1.481 6.289 0 CA-C-O 124.974 2.321 . . . . 0.0 111.801 172.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.788 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 26.3 t-105 -72.23 -28.23 63.03 Favored 'General case' 1 C--N 1.489 6.672 0 O-C-N 120.471 -1.393 . . . . 0.0 111.34 -170.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.32 -35.56 62.81 Favored 'General case' 1 C--N 1.483 6.406 0 CA-C-O 122.209 1.004 . . . . 0.0 109.299 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.567 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 1.2 t -57.96 -41.25 82.5 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.442 171.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.788 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.5 t -59.54 -49.74 82.54 Favored 'Isoleucine or valine' 1 C--N 1.492 6.799 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 172.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD21 ' HE1' ' A' ' 13' ' ' TRP . 8.1 mt -50.23 -53.77 25.84 Favored 'General case' 1 C--N 1.474 6.001 0 CA-C-O 123.827 1.775 . . . . 0.0 109.704 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -89.53 18.04 5.76 Favored 'General case' 1 C--N 1.486 6.533 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.724 -171.175 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 3.62 49.18 0.0 OUTLIER 'General case' 1 C--N 1.476 6.085 0 C-N-CA 126.895 2.078 . . . . 0.0 115.329 -166.982 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ALA . 5.1 t70 -89.83 128.6 49.61 Favored Pre-proline 1 C--N 1.485 6.473 0 O-C-N 120.672 -1.267 . . . . 0.0 111.457 171.346 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -83.97 34.59 0.53 Allowed 'Trans proline' 2 C--N 1.475 7.205 1 C-N-CA 125.892 4.395 . . . . 0.0 113.766 178.003 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.99 -51.26 5.7 Favored 'General case' 1 C--N 1.485 6.459 0 CA-C-O 122.487 1.137 . . . . 0.0 110.75 -171.161 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.73 -77.17 0.15 Allowed 'General case' 1 C--N 1.483 6.383 0 CA-C-O 122.235 1.017 . . . . 0.0 110.458 -173.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 1.2 m-20 -86.71 99.89 12.09 Favored 'General case' 1 C--N 1.479 6.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.023 -171.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -24.49 -55.18 0.05 OUTLIER Glycine 1 C--N 1.478 8.447 0 C-N-CA 124.132 0.872 . . . . 0.0 114.333 -171.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -157.49 41.87 0.31 Allowed 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.571 -0.959 . . . . 0.0 110.987 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -63.5 154.07 33.55 Favored 'General case' 1 C--N 1.48 6.269 0 O-C-N 121.595 -0.691 . . . . 0.0 111.193 -172.092 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -105.68 161.58 5.21 Favored 'Isoleucine or valine' 1 C--N 1.482 6.342 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -176.301 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 1.3 p90 -140.4 133.56 29.56 Favored 'General case' 1 C--N 1.483 6.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.354 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.6 102.86 7.82 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 121.368 -0.832 . . . . 0.0 110.937 -172.028 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.073 HG21 ' HB1' ' A' ' 47' ' ' ALA . 5.5 p -88.81 100.32 10.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.192 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 174.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 41.7 ttp180 -88.23 59.18 5.12 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.464 0.65 . . . . 0.0 112.352 -173.581 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.33 -45.11 2.35 Favored 'General case' 1 C--N 1.479 6.21 0 O-C-N 120.405 -1.434 . . . . 0.0 110.638 171.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -100.33 -19.07 16.49 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 171.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.9 61.44 1.15 Allowed Glycine 1 C--N 1.48 8.537 0 O-C-N 121.952 -0.468 . . . . 0.0 112.784 172.005 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -135.03 133.21 53.5 Favored 'Isoleucine or valine' 1 C--N 1.478 6.189 0 O-C-N 121.16 -1.2 . . . . 0.0 110.714 171.411 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.007 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.2 p90 -113.41 115.1 27.55 Favored 'General case' 1 C--N 1.477 6.15 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.592 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 53.1 t -135.01 160.77 37.28 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 120.212 -1.555 . . . . 0.0 111.918 -170.137 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -75.09 107.84 4.57 Favored Pre-proline 1 C--N 1.475 6.051 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 167.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.655 ' HB3' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -17.86 93.04 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.084 1 C-N-CA 126.959 5.106 . . . . 0.0 117.322 -176.738 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 p -168.29 -56.82 0.02 OUTLIER 'General case' 1 C--N 1.49 6.688 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 1.9 m 0.49 82.8 0.0 OUTLIER 'General case' 1 C--N 1.483 6.411 0 CA-C-O 123.931 1.824 . . . . 0.0 113.871 -168.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 0.36 -81.46 0.0 OUTLIER 'General case' 1 C--N 1.485 6.472 0 C-N-CA 126.53 1.932 . . . . 0.0 115.063 171.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.2 179.62 0.1 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 122.673 1.225 . . . . 0.0 110.892 -170.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.81 91.96 0.01 OUTLIER 'General case' 1 C--N 1.487 6.584 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.518 176.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -161.76 0.04 OUTLIER 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.942 0.877 . . . . 0.0 111.557 -171.39 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.073 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -83.71 166.97 17.62 Favored 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.852 0.834 . . . . 0.0 110.847 -172.633 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -82.52 157.51 23.52 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 172.234 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HG2' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -75.91 -1.85 27.44 Favored 'General case' 1 C--N 1.482 6.365 0 O-C-N 121.663 -0.648 . . . . 0.0 111.409 175.886 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -24.92 56.74 Favored 'General case' 1 C--N 1.478 6.188 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -169.147 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.802 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.257 5.7 p-10 -131.42 17.75 4.87 Favored 'General case' 1 C--N 1.467 5.71 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -171.915 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.719 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.93 150.0 4.93 Favored 'Isoleucine or valine' 1 C--N 1.478 6.184 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.195 -163.226 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.3 t -129.99 127.88 40.91 Favored 'General case' 1 C--N 1.476 6.092 0 CA-C-N 120.953 1.706 . . . . 0.0 111.98 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -103.19 132.71 49.24 Favored 'General case' 1 C--N 1.483 6.386 0 CA-C-O 122.637 1.208 . . . . 0.0 111.907 -172.076 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.011 ' HB2' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -123.34 164.55 18.6 Favored 'General case' 1 C--N 1.478 6.165 0 C-N-CA 124.373 1.069 . . . . 0.0 110.624 172.682 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.55 -28.76 46.08 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 119.521 -1.987 . . . . 0.0 112.545 170.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.755 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 12.6 t-20 -145.7 147.2 31.69 Favored 'General case' 1 C--N 1.479 6.205 0 O-C-N 121.062 -1.024 . . . . 0.0 111.669 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.07 -36.01 17.31 Favored 'General case' 1 C--N 1.48 6.267 0 O-C-N 121.744 -0.598 . . . . 0.0 111.85 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.49 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.7 m -42.55 -46.88 5.04 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.066 0.936 . . . . 0.0 111.621 -171.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.2 pt-20 -70.67 -39.98 73.24 Favored 'General case' 1 C--N 1.48 6.268 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -60.96 -32.64 72.17 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 120.78 -1.2 . . . . 0.0 113.798 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -76.68 -42.42 41.73 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 120.708 -1.245 . . . . 0.0 110.486 171.744 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . . . -53.83 -26.2 23.14 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.035 0.922 . . . . 0.0 110.413 171.126 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.75 -38.16 83.09 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-O 122.867 1.317 . . . . 0.0 109.234 171.706 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.47 34.4 3.36 Favored Glycine 1 C--N 1.484 8.796 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 172.413 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -104.03 -175.01 2.68 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.847 -0.677 . . . . 0.0 112.187 -171.423 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.77 105.84 26.16 Favored Pre-proline 1 C--N 1.48 6.257 0 CA-C-O 122.3 1.048 . . . . 0.0 112.727 -171.804 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 59.8 Cg_exo -50.11 114.54 1.45 Allowed 'Trans proline' 1 C--N 1.483 7.652 1 C-N-CA 126.89 5.06 . . . . 0.0 114.908 179.489 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 12.9 t -125.79 97.68 5.24 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.411 2.053 . . . . 0.0 109.313 171.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -76.45 -92.6 0.03 OUTLIER 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.902 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -69.95 0.15 Allowed 'General case' 1 C--N 1.478 6.154 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 171.024 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 178.84 67.79 0.01 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 168.993 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 1.058 ' HB3' ' CD ' ' A' ' 74' ' ' PRO . 6.6 tp-100 -41.07 -99.25 0.0 OUTLIER Pre-proline 1 C--N 1.476 6.102 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -169.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 1.058 ' CD ' ' HB3' ' A' ' 73' ' ' GLN . 7.4 Cg_exo -74.46 175.42 11.06 Favored 'Trans proline' 1 C--N 1.477 7.302 1 C-N-CA 127.515 5.476 . . . . 0.0 118.13 -176.798 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.75 -68.32 0.41 Allowed 'General case' 1 C--N 1.485 6.49 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.726 171.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -46.32 5.48 Favored 'General case' 1 C--N 1.481 6.316 0 O-C-N 121.64 -0.662 . . . . 0.0 111.522 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.8 71.87 0.01 OUTLIER 'General case' 1 C--N 1.475 6.025 0 CA-C-O 121.59 0.71 . . . . 0.0 112.471 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.623 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 50.6 m-80 44.13 48.19 4.14 Favored Pre-proline 1 C--N 1.478 6.182 0 CA-C-O 121.713 0.768 . . . . 0.0 111.366 172.207 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 73.5 Cg_exo -54.92 -147.76 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.369 1 C-N-CA 126.814 5.009 . . . . 0.0 114.554 179.257 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 146.52 18.03 Favored 'General case' 1 C--N 1.477 6.138 0 CA-C-O 121.667 0.746 . . . . 0.0 110.549 174.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 177.55 109.51 0.03 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 121.699 0.761 . . . . 0.0 110.722 -171.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -86.59 -87.75 0.13 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.771 0.796 . . . . 0.0 111.018 -177.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.79 150.77 1.73 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.768 0.794 . . . . 0.0 110.929 -173.126 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tp -91.3 139.26 30.9 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.787 0.803 . . . . 0.0 110.996 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -122.13 175.1 6.54 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.079 0.942 . . . . 0.0 111.306 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.84 27.46 6.47 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.802 0.811 . . . . 0.0 111.008 -174.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 tp -153.44 43.0 0.06 OUTLIER 'Isoleucine or valine' 1 C--N 1.479 6.23 0 CA-C-O 121.745 0.783 . . . . 0.0 110.996 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.94 21.84 7.47 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.645 0.736 . . . . 0.0 111.227 -179.224 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.528 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.3 t-80 -102.26 -141.81 0.35 Allowed 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.447 0.642 . . . . 0.0 110.876 174.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 89' ' ' HIS . . . 78.99 -173.1 0.06 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.714 0.768 . . . . 0.0 110.871 173.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.96 -27.04 0.81 Allowed 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.733 0.778 . . . . 0.0 110.909 177.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--N 1.479 6.197 0 CA-C-O 121.99 0.9 . . . . 0.0 111.05 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.797 0.808 . . . . 0.0 110.973 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -125.91 42.58 3.27 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.775 0.798 . . . . 0.0 111.04 -173.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.66 -175.0 5.02 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.789 0.804 . . . . 0.0 111.045 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.77 16.72 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.817 0.818 . . . . 0.0 111.004 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -49.57 153.48 1.14 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.749 0.785 . . . . 0.0 110.932 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.82 -170.57 2.73 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.752 0.786 . . . . 0.0 111.025 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mp -47.73 102.46 0.03 OUTLIER 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.905 0.86 . . . . 0.0 110.949 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.75 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -77.14 135.1 38.53 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-O 121.863 0.839 . . . . 0.0 111.097 -173.235 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -25.51 23.81 Favored 'General case' 1 C--N 1.48 6.279 0 CA-C-O 121.837 0.827 . . . . 0.0 110.804 172.318 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -49.35 63.25 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.904 0.859 . . . . 0.0 110.885 -176.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 3.6 mt-30 -63.12 -44.13 96.47 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.505 1.145 . . . . 0.0 110.722 -178.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.92 -73.4 0.05 OUTLIER 'General case' 1 C--N 1.479 6.206 0 CA-C-O 124.757 2.218 . . . . 0.0 112.736 174.059 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.728 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 50.2 t-105 -75.54 -27.53 58.7 Favored 'General case' 1 C--N 1.488 6.598 0 O-C-N 120.354 -1.466 . . . . 0.0 111.338 -169.2 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.52 -27.16 69.08 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.207 1.003 . . . . 0.0 108.896 170.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.476 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -57.52 -36.97 72.25 Favored 'General case' 1 C--N 1.486 6.505 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.396 170.948 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.684 HG13 ' HB3' ' A' ' 40' ' ' PRO . 1.8 t -73.9 -60.75 2.1 Favored 'Isoleucine or valine' 1 C--N 1.5 7.133 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 171.509 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HG ' ' NE1' ' A' ' 13' ' ' TRP . 8.8 mt -39.06 -42.2 0.87 Allowed 'General case' 1 C--N 1.477 6.118 0 O-C-N 119.286 -2.134 . . . . 0.0 108.92 -170.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.73 -104.68 0.07 Allowed 'General case' 1 C--N 1.485 6.493 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.806 171.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 tpp85 177.57 19.7 0.0 OUTLIER 'General case' 1 C--N 1.486 6.503 0 O-C-N 121.229 -0.919 . . . . 0.0 111.19 -168.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 14.5 t0 -53.05 118.37 13.64 Favored Pre-proline 1 C--N 1.477 6.119 0 O-C-N 119.455 -2.028 . . . . 0.0 114.775 -166.733 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 20' ' ' ASP . 52.6 Cg_exo -58.12 -43.51 47.19 Favored 'Trans proline' 1 C--N 1.48 7.499 1 C-N-CA 126.615 4.877 . . . . 0.0 113.909 178.867 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.48 45.17 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.838 0.828 . . . . 0.0 110.904 -173.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.47 -12.91 60.01 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.139 0.495 . . . . 0.0 111.272 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 5.1 m-20 -77.43 -95.22 0.03 OUTLIER 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.845 0.831 . . . . 0.0 110.636 -176.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.5 -80.34 1.04 Allowed Glycine 1 C--N 1.474 8.237 0 N-CA-C 104.979 -3.248 . . . . 0.0 104.979 171.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -160.8 21.74 0.14 Allowed 'General case' 1 C--N 1.476 6.087 0 CA-C-N 114.14 -1.03 . . . . 0.0 110.986 168.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE1' ' HA ' ' A' ' 24' ' ' ASP . 10.2 p90 -67.85 148.94 50.49 Favored 'General case' 1 C--N 1.482 6.347 0 O-C-N 121.26 -0.9 . . . . 0.0 111.965 -170.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.861 HG22 ' HB2' ' A' ' 55' ' ' TYR . 4.2 m -115.12 157.91 15.63 Favored 'Isoleucine or valine' 1 C--N 1.477 6.125 0 O-C-N 120.695 -1.253 . . . . 0.0 109.954 -171.05 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 14.0 p90 -137.88 132.52 32.61 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 119.999 -1.688 . . . . 0.0 110.289 -176.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -114.92 92.66 4.01 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.119 -0.988 . . . . 0.0 111.346 -172.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 47' ' ' ALA . 7.2 p -76.05 101.77 2.7 Favored 'Isoleucine or valine' 1 C--N 1.479 6.211 0 O-C-N 121.719 -0.613 . . . . 0.0 110.805 173.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 90.9 mtt-85 -87.76 44.56 1.2 Allowed 'General case' 1 C--N 1.478 6.188 0 O-C-N 121.708 -0.62 . . . . 0.0 112.61 -173.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.424 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 1.4 m -108.66 -47.85 3.41 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.783 -1.198 . . . . 0.0 110.518 -179.058 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.6 m -106.66 -17.65 14.17 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.634 0.731 . . . . 0.0 110.679 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 65.02 0.83 Allowed Glycine 1 C--N 1.48 8.536 0 O-C-N 121.914 -0.491 . . . . 0.0 113.18 171.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -135.51 125.94 43.45 Favored 'Isoleucine or valine' 1 C--N 1.48 6.259 0 O-C-N 121.081 -1.247 . . . . 0.0 112.529 171.322 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.894 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -100.16 105.14 16.71 Favored 'General case' 1 C--N 1.477 6.11 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.394 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.783 ' HB2' ' CB ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -124.33 152.27 43.32 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 120.001 -1.687 . . . . 0.0 114.708 -167.837 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.93 107.61 5.16 Favored Pre-proline 1 C--N 1.476 6.084 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 167.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.706 ' HD3' ' HD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -21.04 88.99 0.0 OUTLIER 'Trans proline' 1 C--N 1.473 7.096 1 C-N-CA 127.748 5.632 . . . . 0.0 118.133 -177.448 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.95 17.53 0.0 OUTLIER 'General case' 1 C--N 1.484 6.442 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 171.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.62 103.25 0.06 Allowed 'General case' 1 C--N 1.482 6.348 0 CA-C-N 122.05 2.205 . . . . 0.0 109.675 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.39 -17.29 61.82 Favored 'General case' 1 C--N 1.478 6.155 0 C-N-CA 123.237 0.615 . . . . 0.0 112.634 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.77 -175.57 5.64 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 122.395 1.093 . . . . 0.0 110.087 171.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -53.33 89.41 0.01 OUTLIER 'General case' 1 C--N 1.486 6.523 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.363 172.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.86 -163.91 0.79 Allowed 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.027 0.918 . . . . 0.0 111.989 -171.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -102.03 161.03 13.99 Favored 'General case' 1 C--N 1.481 6.296 0 CA-C-O 121.936 0.874 . . . . 0.0 111.289 -172.037 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -85.78 159.19 19.81 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.592 0.71 . . . . 0.0 110.827 179.348 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.2 tmm_? -74.18 -5.34 41.26 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.601 0.715 . . . . 0.0 111.686 176.248 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 2.0 mm-40 -72.65 -24.26 61.01 Favored 'General case' 1 C--N 1.479 6.211 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -168.575 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.76 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.266 6.9 p-10 -130.36 17.26 5.44 Favored 'General case' 1 C--N 1.467 5.675 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -175.49 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.752 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -97.63 139.04 20.81 Favored 'Isoleucine or valine' 1 C--N 1.479 6.22 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.61 -162.69 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -100.82 172.68 6.91 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.874 -1.141 . . . . 0.0 110.789 175.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.728 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 87.3 m-85 -140.6 138.15 34.19 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-O 122.853 1.311 . . . . 0.0 112.247 177.143 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.922 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -136.01 163.08 31.11 Favored 'General case' 1 C--N 1.478 6.176 0 C-N-CA 124.426 1.091 . . . . 0.0 110.003 174.299 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.61 56.35 Favored 'General case' 1 C--N 1.48 6.262 0 O-C-N 119.323 -2.111 . . . . 0.0 112.657 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 23.7 t-20 -142.24 150.3 40.75 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.002 0.906 . . . . 0.0 111.62 -176.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -66.47 -19.18 65.72 Favored 'General case' 1 C--N 1.482 6.349 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.172 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.45 -31.98 71.95 Favored 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.254 -0.904 . . . . 0.0 110.649 177.956 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -67.43 -58.18 5.22 Favored 'General case' 1 C--N 1.481 6.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.213 173.547 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.922 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -51.17 -25.62 5.62 Favored 'General case' 1 C--N 1.481 6.286 0 O-C-N 121.646 -0.659 . . . . 0.0 112.59 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -77.42 -43.91 30.93 Favored 'General case' 1 C--N 1.478 6.172 0 O-C-N 121.21 -0.931 . . . . 0.0 110.837 173.045 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.94 -34.86 13.71 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.571 0.7 . . . . 0.0 111.47 171.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.81 81.19 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.417 1.103 . . . . 0.0 109.82 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 97.86 36.73 4.66 Favored Glycine 1 C--N 1.484 8.772 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 175.42 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.894 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.12 -172.13 2.12 Favored 'General case' 1 C--N 1.48 6.243 0 O-C-N 122.329 -0.512 . . . . 0.0 111.901 -171.877 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 2.1 tpt180 -96.2 105.03 19.4 Favored Pre-proline 1 C--N 1.478 6.181 0 O-C-N 120.67 -1.269 . . . . 0.0 111.958 -171.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.593 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 43.9 Cg_endo -60.2 98.27 0.12 Allowed 'Trans proline' 1 C--N 1.481 7.534 1 C-N-CA 127.109 5.206 . . . . 0.0 116.713 -178.85 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.783 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -80.11 101.9 9.03 Favored 'General case' 1 C--N 1.481 6.287 0 O-C-N 120.761 -1.212 . . . . 0.0 110.049 171.085 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.22 -89.45 0.03 OUTLIER 'General case' 1 C--N 1.486 6.502 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.634 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -62.44 -73.23 0.11 Allowed 'General case' 1 C--N 1.477 6.15 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.851 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.95 75.06 0.01 OUTLIER 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.799 1.285 . . . . 0.0 110.667 169.367 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.99 132.35 1.14 Allowed Pre-proline 1 C--N 1.475 6.058 0 CA-C-O 122.218 1.008 . . . . 0.0 111.542 -179.626 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -45.05 -76.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.482 7.587 1 C-N-CA 126.661 4.907 . . . . 0.0 115.924 -179.01 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 30.3 46.12 0.03 OUTLIER 'General case' 1 C--N 1.489 6.64 0 CA-C-O 122.309 1.052 . . . . 0.0 110.441 -171.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.94 -170.25 2.91 Favored 'General case' 1 C--N 1.478 6.163 0 CA-C-O 122.365 1.079 . . . . 0.0 111.353 -171.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.76 87.19 0.0 OUTLIER 'General case' 1 C--N 1.479 6.217 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -176.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 42.8 86.22 0.14 Allowed Pre-proline 1 C--N 1.478 6.194 0 CA-C-O 122.042 0.925 . . . . 0.0 112.018 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -41.22 -37.08 2.76 Favored 'Trans proline' 1 C--N 1.478 7.378 1 C-N-CA 126.341 4.694 . . . . 0.0 114.883 -179.628 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.88 158.75 6.15 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.688 0.756 . . . . 0.0 111.058 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 171.2 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.919 0.866 . . . . 0.0 111.447 177.491 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.75 67.61 2.78 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.747 0.784 . . . . 0.0 111.029 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 1.4 mmt180 47.14 60.01 3.69 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.753 0.787 . . . . 0.0 111.021 172.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 11.1 mt 75.12 115.97 0.06 Allowed 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.804 0.811 . . . . 0.0 110.946 176.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -136.35 -42.65 0.63 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.776 0.798 . . . . 0.0 110.994 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 113.79 19.21 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.785 0.802 . . . . 0.0 110.972 177.254 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.26 96.8 1.76 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.765 0.793 . . . . 0.0 110.97 174.025 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.6 p -101.38 -13.18 18.1 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.58 96.12 7.43 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 121.831 0.824 . . . . 0.0 111.14 -174.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.27 34.98 0.38 Allowed 'General case' 1 C--N 1.48 6.264 0 CA-C-O 121.781 0.8 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.4 m -114.92 158.27 22.23 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.751 0.786 . . . . 0.0 111.007 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 1 C--N 1.479 6.199 0 CA-C-O 121.999 0.904 . . . . 0.0 111.004 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.79 0.805 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 113.86 22.22 Favored 'General case' 1 C--N 1.48 6.25 0 CA-C-O 121.79 0.805 . . . . 0.0 111.017 176.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.62 161.19 0.21 Allowed 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.928 -175.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.7 147.11 30.75 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.801 0.81 . . . . 0.0 110.942 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.58 130.82 34.35 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.666 0.746 . . . . 0.0 110.96 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -74.06 -22.16 59.65 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.786 0.803 . . . . 0.0 111.04 -173.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -62.68 98.71 0.13 Allowed 'General case' 1 C--N 1.479 6.214 0 CA-C-O 121.797 0.808 . . . . 0.0 110.903 173.865 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 1.4 p -108.56 145.34 34.98 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.813 0.815 . . . . 0.0 111.332 -172.143 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -22.31 0.55 Allowed 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.872 0.844 . . . . 0.0 110.722 171.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.21 -54.32 18.59 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.952 0.882 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 2.9 mt-30 -65.88 -36.88 84.65 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 122.739 1.257 . . . . 0.0 110.591 -176.752 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' SER . 5.7 mmt-85 -45.77 -70.95 0.08 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 125.264 2.459 . . . . 0.0 112.431 171.534 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.634 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.8 t-105 -71.36 -22.37 61.91 Favored 'General case' 1 C--N 1.494 6.879 0 O-C-N 120.361 -1.462 . . . . 0.0 109.746 -171.224 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -39.88 83.3 Favored 'General case' 1 C--N 1.483 6.387 0 CA-C-O 121.825 0.822 . . . . 0.0 108.893 170.61 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.583 ' HB3' ' CB ' ' A' ' 20' ' ' ASP . 5.2 m -42.89 -55.48 3.69 Favored 'General case' 1 C--N 1.487 6.555 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.634 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -60.43 -53.61 46.43 Favored 'Isoleucine or valine' 1 C--N 1.495 6.914 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.6 mt -42.38 -44.65 4.04 Favored 'General case' 1 C--N 1.477 6.119 0 CA-C-O 123.885 1.802 . . . . 0.0 109.603 -177.537 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.11 -98.62 0.02 OUTLIER 'General case' 1 C--N 1.489 6.631 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.294 -176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.06 31.55 0.0 OUTLIER 'General case' 1 C--N 1.48 6.279 0 O-C-N 121.762 -0.586 . . . . 0.0 110.658 -169.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.583 ' CB ' ' HB3' ' A' ' 15' ' ' SER . 0.2 OUTLIER -40.26 140.78 0.91 Allowed Pre-proline 1 C--N 1.478 6.161 0 CA-C-O 122.008 0.909 . . . . 0.0 111.814 -170.307 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -28.61 -101.76 0.0 OUTLIER 'Trans proline' 2 C--N 1.477 7.331 1 C-N-CA 126.376 4.717 . . . . 0.0 114.654 -179.299 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.25 -76.54 0.44 Allowed 'General case' 1 C--N 1.474 6.003 0 CA-C-O 124.289 1.995 . . . . 0.0 108.023 171.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.884 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . . . -159.83 98.24 1.34 Allowed 'General case' 1 C--N 1.483 6.412 0 C-N-CA 124.924 1.289 . . . . 0.0 109.305 168.279 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -35.55 114.62 0.27 Allowed 'General case' 1 C--N 1.478 6.174 0 CA-C-O 124.851 2.263 . . . . 0.0 109.969 -171.495 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.49 -90.14 1.51 Allowed Glycine 1 C--N 1.483 8.711 0 N-CA-C 103.429 -3.868 . . . . 0.0 103.429 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.76 24.72 0.1 Allowed 'General case' 1 C--N 1.471 5.864 0 CA-C-N 113.591 -1.304 . . . . 0.0 109.597 165.026 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -63.58 160.89 15.73 Favored 'General case' 1 C--N 1.492 6.791 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -168.844 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.051 HG23 ' HD1' ' A' ' 55' ' ' TYR . 4.9 m -146.41 152.28 13.74 Favored 'Isoleucine or valine' 1 C--N 1.488 6.624 0 O-C-N 121.025 -1.047 . . . . 0.0 109.725 -171.817 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.964 ' HE1' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -132.24 145.07 51.07 Favored 'General case' 1 C--N 1.476 6.08 0 O-C-N 120.67 -1.269 . . . . 0.0 109.716 -171.938 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.23 100.82 6.24 Favored 'General case' 1 C--N 1.477 6.133 0 CA-C-O 121.846 0.832 . . . . 0.0 110.801 -171.51 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.4 p -86.62 103.15 12.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.882 0.848 . . . . 0.0 110.341 175.172 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.52 23.74 0.5 Allowed 'General case' 1 C--N 1.483 6.393 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.572 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -107.42 -35.19 6.84 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 120.778 -1.201 . . . . 0.0 110.766 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -97.48 -2.89 41.0 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.117 0.484 . . . . 0.0 111.218 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.68 43.65 96.05 Favored Glycine 1 C--N 1.48 8.534 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.3 pt -136.13 141.47 41.49 Favored 'Isoleucine or valine' 1 C--N 1.48 6.272 0 O-C-N 121.602 -0.94 . . . . 0.0 111.733 172.251 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.124 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.7 p90 -114.93 124.37 51.51 Favored 'General case' 1 C--N 1.478 6.168 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.424 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.964 ' HB3' ' HE1' ' A' ' 29' ' ' PHE . 41.8 t -138.03 162.92 32.86 Favored 'General case' 1 C--N 1.476 6.068 0 O-C-N 120.531 -1.356 . . . . 0.0 112.824 -170.022 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.884 ' HG3' ' HB2' ' A' ' 23' ' ' ALA . 16.8 ttp85 -82.48 121.79 78.44 Favored Pre-proline 1 C--N 1.475 6.048 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 165.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -18.79 99.9 0.01 OUTLIER 'Trans proline' 2 C--N 1.47 6.944 1 C-N-CA 127.387 5.391 . . . . 0.0 116.693 -177.579 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 p -178.15 -58.32 0.01 OUTLIER 'General case' 1 C--N 1.487 6.548 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m 0.57 90.09 0.01 OUTLIER 'General case' 1 C--N 1.482 6.328 0 CA-C-O 123.967 1.841 . . . . 0.0 114.54 -167.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -17.56 -44.67 0.0 OUTLIER 'General case' 1 C--N 1.487 6.55 0 C-N-CA 126.552 1.941 . . . . 0.0 114.019 170.972 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -178.18 0.03 OUTLIER 'General case' 1 C--N 1.477 6.132 0 CA-C-O 123.396 1.57 . . . . 0.0 111.077 -171.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 2.7 tpm_? -51.78 -12.42 0.2 Allowed 'General case' 1 C--N 1.488 6.61 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.785 -175.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 86.02 151.37 0.07 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 121.976 0.893 . . . . 0.0 111.276 171.049 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -86.2 142.58 28.51 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 -172.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.35 142.77 57.51 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.523 0.677 . . . . 0.0 110.548 172.075 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -78.31 3.83 14.47 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.14 0.495 . . . . 0.0 111.713 175.664 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.22 -15.91 36.84 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.459 -0.776 . . . . 0.0 112.567 -171.177 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.526 HD21 HG22 ' A' ' 31' ' ' VAL 0.275 8.2 p-10 -132.27 15.43 4.59 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -176.844 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.5 142.63 14.8 Favored 'Isoleucine or valine' 1 C--N 1.48 6.256 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.443 -163.089 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 7.7 t -127.14 139.94 52.61 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.14 -1.6 . . . . 0.0 111.495 -177.359 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.799 ' HE1' ' HB3' ' A' ' 29' ' ' PHE . 2.2 m-85 -109.86 155.64 21.41 Favored 'General case' 1 C--N 1.488 6.602 0 CA-C-O 123.246 1.498 . . . . 0.0 113.468 -170.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.051 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -149.23 158.42 44.17 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.941 -179.793 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -19.51 59.14 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 120.128 -1.608 . . . . 0.0 112.16 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.64 174.77 14.08 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.088 -1.008 . . . . 0.0 111.464 171.679 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -63.72 -47.77 79.75 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.51 -177.455 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -52.3 -14.94 0.51 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.366 0.603 . . . . 0.0 111.392 -171.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.889 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -80.52 -63.05 1.49 Allowed 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.539 0.685 . . . . 0.0 111.484 172.882 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -49.43 -13.84 0.09 Allowed 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.693 -0.63 . . . . 0.0 112.165 172.377 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -84.13 -49.17 9.11 Favored 'General case' 1 C--N 1.478 6.169 0 O-C-N 121.091 -1.006 . . . . 0.0 110.476 171.764 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.38 5.36 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.531 0.681 . . . . 0.0 111.313 171.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.35 75.29 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 122.826 1.298 . . . . 0.0 109.446 172.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.12 25.15 6.23 Favored Glycine 1 C--N 1.484 8.756 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 172.391 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.124 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -89.35 -172.97 3.82 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-N 114.911 -0.645 . . . . 0.0 112.037 -171.802 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.17 111.48 56.61 Favored Pre-proline 1 C--N 1.479 6.198 0 O-C-N 121.044 -1.035 . . . . 0.0 111.752 -172.216 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 82.8 Cg_exo -54.28 107.22 0.2 Allowed 'Trans proline' 1 C--N 1.483 7.606 1 C-N-CA 127.123 5.215 . . . . 0.0 115.324 -178.993 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 7.6 t -115.63 95.35 5.1 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.585 2.136 . . . . 0.0 109.849 171.315 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -76.88 -91.9 0.03 OUTLIER 'General case' 1 C--N 1.498 7.026 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.392 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' H ' ' HG2' ' A' ' 71' ' ' ARG . 4.4 mmt85 -58.85 -70.16 0.16 Allowed 'General case' 1 C--N 1.479 6.211 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 170.587 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.754 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 0.9 OUTLIER 178.71 73.04 0.01 OUTLIER 'General case' 1 C--N 1.478 6.166 0 CA-C-O 123.86 1.791 . . . . 0.0 110.181 169.455 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -40.62 -36.02 0.66 Allowed Pre-proline 1 C--N 1.477 6.14 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -170.846 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.754 ' HD2' ' C ' ' A' ' 72' ' ' CYS . 2.4 Cg_exo -35.38 -42.88 0.47 Allowed 'Trans proline' 1 C--N 1.475 7.23 1 C-N-CA 126.588 4.859 . . . . 0.0 114.814 -179.014 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 3.6 t0 169.25 74.69 0.0 OUTLIER 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.893 0.854 . . . . 0.0 110.917 171.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 10.5 tptt -79.91 -9.24 59.66 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.537 -171.758 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 76' ' ' LYS . . . -178.79 -110.12 0.0 OUTLIER 'General case' 1 C--N 1.474 5.984 0 O-C-N 121.437 -0.79 . . . . 0.0 112.539 172.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.05 79.25 8.2 Favored Pre-proline 1 C--N 1.478 6.181 0 CA-C-O 121.922 0.868 . . . . 0.0 111.264 -171.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -43.09 85.53 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.357 1 C-N-CA 126.259 4.639 . . . . 0.0 114.718 179.315 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -49.46 120.84 4.43 Favored 'General case' 1 C--N 1.478 6.177 0 CA-C-O 121.712 0.767 . . . . 0.0 111.005 -173.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.69 132.15 8.72 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.755 0.788 . . . . 0.0 111.037 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -69.6 109.35 4.26 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.735 0.779 . . . . 0.0 110.967 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -161.52 32.52 0.13 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.739 0.78 . . . . 0.0 110.952 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.55 -160.36 0.56 Allowed 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.805 0.812 . . . . 0.0 110.961 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.8 150.29 28.58 Favored 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.752 0.787 . . . . 0.0 111.002 177.365 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.11 69.36 1.3 Allowed 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.742 0.782 . . . . 0.0 110.944 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.1 pp -116.53 17.88 7.38 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.563 0.697 . . . . 0.0 111.24 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 90' ' ' ALA . 91.2 m -132.45 135.03 45.79 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.757 0.789 . . . . 0.0 110.911 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -124.6 34.44 5.01 Favored 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.768 0.794 . . . . 0.0 110.831 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 88' ' ' THR . . . -131.21 109.86 10.72 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.804 0.811 . . . . 0.0 110.95 -175.302 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 90.8 m -94.11 -50.72 5.16 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.775 0.798 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 . . . . . 1 C--N 1.479 6.201 0 CA-C-O 121.954 0.883 . . . . 0.0 110.998 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 121.706 0.765 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -123.83 27.98 7.05 Favored 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.79 0.805 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -88.56 -60.0 2.08 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.947 0.879 . . . . 0.0 110.939 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.43 96.01 1.85 Allowed 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.718 0.77 . . . . 0.0 111.016 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -63.63 1.2 Allowed 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.906 0.86 . . . . 0.0 111.073 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.6 p -82.54 124.2 29.89 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.262 1.029 . . . . 0.0 111.118 173.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.68 -150.97 0.16 Allowed 'General case' 1 C--N 1.482 6.327 0 CA-C-O 121.777 0.798 . . . . 0.0 111.043 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -156.59 -74.87 0.1 Allowed 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.709 0.766 . . . . 0.0 111.119 172.257 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.66 ' N ' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -78.1 -24.56 47.49 Favored 'General case' 1 C--N 1.48 6.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.783 -172.461 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.25 -62.76 1.26 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.245 1.021 . . . . 0.0 110.936 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -48.78 -40.18 27.95 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.595 1.188 . . . . 0.0 110.446 -179.976 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -48.47 -77.67 0.02 OUTLIER 'General case' 1 C--N 1.48 6.253 0 CA-C-O 123.468 1.604 . . . . 0.0 113.07 178.425 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.879 ' HA ' HG23 ' A' ' 16' ' ' VAL . 25.7 t-105 -73.0 -30.68 63.96 Favored 'General case' 1 C--N 1.486 6.531 0 O-C-N 120.774 -1.203 . . . . 0.0 110.973 -170.601 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.58 -35.51 60.9 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 121.983 0.897 . . . . 0.0 109.938 171.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.709 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.35 -42.59 82.28 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 171.791 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.879 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.0 t -54.8 -52.58 41.05 Favored 'Isoleucine or valine' 1 C--N 1.489 6.655 0 CA-C-O 121.436 0.636 . . . . 0.0 112.703 172.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.694 HD21 ' HE1' ' A' ' 13' ' ' TRP . 21.5 mt -51.8 -50.43 60.79 Favored 'General case' 1 C--N 1.476 6.084 0 CA-C-O 123.527 1.632 . . . . 0.0 110.861 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.77 14.51 8.5 Favored 'General case' 1 C--N 1.485 6.488 0 C-N-CA 124.137 0.975 . . . . 0.0 113.308 -169.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 0.83 65.16 0.0 OUTLIER 'General case' 1 C--N 1.477 6.132 0 C-N-CA 125.403 1.481 . . . . 0.0 113.701 -170.29 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -86.13 137.69 35.0 Favored Pre-proline 1 C--N 1.484 6.448 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -52.46 -22.55 16.64 Favored 'Trans proline' 1 C--N 1.478 7.394 1 C-N-CA 126.386 4.724 . . . . 0.0 115.831 179.229 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -46.07 57.24 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.83 10.44 24.53 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 121.229 -0.919 . . . . 0.0 112.518 -171.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -47.73 -76.11 0.02 OUTLIER 'General case' 1 C--N 1.478 6.195 0 CA-C-O 122.222 1.01 . . . . 0.0 110.821 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.09 4.41 54.43 Favored Glycine 1 C--N 1.481 8.607 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -172.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.68 -10.5 58.9 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.486 -1.008 . . . . 0.0 111.182 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -167.45 152.87 7.33 Favored 'General case' 1 C--N 1.48 6.266 0 O-C-N 121.746 -0.596 . . . . 0.0 111.922 178.435 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.928 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -104.24 168.83 2.32 Favored 'Isoleucine or valine' 1 C--N 1.483 6.376 0 O-C-N 120.431 -1.418 . . . . 0.0 111.045 -178.094 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.89 140.66 36.51 Favored 'General case' 1 C--N 1.481 6.304 0 O-C-N 121.746 -0.597 . . . . 0.0 110.235 172.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -129.41 98.61 4.92 Favored 'General case' 1 C--N 1.478 6.179 0 CA-C-O 122.147 0.975 . . . . 0.0 111.471 -171.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 ' CB ' ' A' ' 47' ' ' ALA . 13.1 p -88.57 97.34 6.74 Favored 'Isoleucine or valine' 1 C--N 1.481 6.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.801 177.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.39 79.94 8.84 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.702 0.763 . . . . 0.0 111.405 -172.486 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -134.42 -53.2 0.83 Allowed 'General case' 1 C--N 1.478 6.187 0 CA-C-O 122.442 1.115 . . . . 0.0 110.006 173.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -97.88 -15.25 20.28 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.858 0.837 . . . . 0.0 110.436 170.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.64 66.16 1.1 Allowed Glycine 1 C--N 1.48 8.551 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 172.142 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.62 132.81 51.65 Favored 'Isoleucine or valine' 1 C--N 1.48 6.243 0 O-C-N 121.564 -0.962 . . . . 0.0 111.549 174.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.031 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 6.0 p90 -114.3 110.3 19.71 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.559 -0.713 . . . . 0.0 109.263 171.223 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.566 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.5 t -125.37 162.31 25.07 Favored 'General case' 1 C--N 1.477 6.122 0 O-C-N 120.002 -1.686 . . . . 0.0 112.286 -170.213 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 114.11 27.65 Favored Pre-proline 1 C--N 1.475 6.038 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 167.188 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -13.76 61.09 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 127.78 5.653 . . . . 0.0 120.075 -175.943 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 119.98 0.05 OUTLIER 'General case' 1 C--N 1.484 6.455 0 O-C-N 121.656 -0.653 . . . . 0.0 112.329 171.717 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 31.8 m -138.05 128.42 26.22 Favored 'General case' 1 C--N 1.478 6.175 0 O-C-N 120.604 -1.31 . . . . 0.0 109.785 168.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 43' ' ' ARG . 3.1 mtt-85 -72.27 -14.95 61.9 Favored 'General case' 1 C--N 1.478 6.155 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.54 -174.06 0.5 Allowed 'General case' 1 C--N 1.477 6.135 0 CA-C-O 122.498 1.142 . . . . 0.0 109.597 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -45.74 94.64 0.01 OUTLIER 'General case' 1 C--N 1.487 6.576 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.991 171.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -43.67 111.83 0.32 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.935 0.874 . . . . 0.0 111.722 -170.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.784 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -32.48 109.15 0.06 Allowed 'General case' 1 C--N 1.481 6.312 0 CA-C-O 121.87 0.843 . . . . 0.0 112.079 173.002 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.824 ' CD1' ' HG2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -51.5 137.74 23.57 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.798 0.809 . . . . 0.0 110.943 172.249 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 3.0 ttt-85 -74.44 -4.35 36.12 Favored 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.217 0.532 . . . . 0.0 111.678 176.453 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.824 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 4.6 pt-20 -82.56 -9.95 59.19 Favored 'General case' 1 C--N 1.478 6.177 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.728 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.27 7.7 p-10 -133.22 18.74 4.04 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 178.7 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.34 150.45 4.57 Favored 'Isoleucine or valine' 1 C--N 1.479 6.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.421 -163.331 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ALA . 33.1 t -132.52 137.42 47.15 Favored 'General case' 1 C--N 1.477 6.136 0 O-C-N 120.234 -1.541 . . . . 0.0 111.949 177.303 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.655 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 2.4 m-85 -106.21 135.96 46.77 Favored 'General case' 1 C--N 1.483 6.407 0 CA-C-O 123.242 1.496 . . . . 0.0 111.819 -172.576 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.928 ' HB2' HG23 ' A' ' 28' ' ' VAL . 1.4 m-85 -123.99 167.86 13.6 Favored 'General case' 1 C--N 1.477 6.137 0 C-N-CA 125.362 1.465 . . . . 0.0 110.141 172.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.51 -26.34 32.62 Favored 'General case' 1 C--N 1.48 6.249 0 O-C-N 118.339 -2.726 . . . . 0.0 112.876 170.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 9.7 t-20 -145.59 157.93 43.91 Favored 'General case' 1 C--N 1.48 6.239 0 O-C-N 120.878 -1.139 . . . . 0.0 112.494 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -67.01 -16.4 64.34 Favored 'General case' 1 C--N 1.483 6.401 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.547 173.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -60.72 -36.31 78.53 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.183 -0.948 . . . . 0.0 110.694 173.06 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.66 -57.79 3.85 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.547 0.689 . . . . 0.0 111.725 178.389 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.574 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -56.38 -27.26 55.72 Favored 'General case' 1 C--N 1.481 6.299 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -75.37 -48.65 21.98 Favored 'General case' 1 C--N 1.477 6.141 0 O-C-N 120.9 -1.125 . . . . 0.0 110.42 172.091 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.88 -24.21 5.94 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.671 0.748 . . . . 0.0 111.075 171.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.35 -40.21 77.65 Favored 'General case' 1 C--N 1.481 6.288 0 CA-C-O 122.67 1.224 . . . . 0.0 109.531 172.153 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.26 30.62 4.66 Favored Glycine 1 C--N 1.485 8.815 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 173.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.031 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -97.65 -168.84 1.74 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-N 114.906 -0.647 . . . . 0.0 111.49 -171.931 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.588 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -95.81 108.0 37.65 Favored Pre-proline 1 C--N 1.479 6.196 0 O-C-N 120.585 -1.322 . . . . 0.0 111.72 -176.63 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.588 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 27.5 Cg_endo -56.85 104.7 0.15 Allowed 'Trans proline' 1 C--N 1.48 7.458 1 C-N-CA 127.45 5.433 . . . . 0.0 114.691 -179.243 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.566 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -113.58 100.35 8.43 Favored 'General case' 1 C--N 1.477 6.15 0 CA-C-O 124.077 1.894 . . . . 0.0 109.698 -177.473 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -86.54 0.2 Allowed 'General case' 1 C--N 1.495 6.921 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.222 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -59.05 -71.14 0.13 Allowed 'General case' 1 C--N 1.477 6.144 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 170.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER 178.79 62.34 0.01 OUTLIER 'General case' 1 C--N 1.48 6.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.933 168.957 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.74 139.0 0.96 Allowed Pre-proline 1 C--N 1.473 5.959 0 CA-C-O 122.345 1.069 . . . . 0.0 112.526 -171.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -76.53 -166.35 0.37 Allowed 'Trans proline' 1 C--N 1.483 7.646 1 C-N-CA 126.581 4.854 . . . . 0.0 114.518 179.135 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HB3' ' H ' ' A' ' 76' ' ' LYS . 1.6 t70 -75.46 -88.41 0.03 OUTLIER 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.825 0.821 . . . . 0.0 110.921 176.312 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 75' ' ' ASP . 21.2 tttp -108.1 -99.71 0.37 Allowed 'General case' 1 C--N 1.479 6.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 177.117 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.78 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . . . -46.2 -168.97 0.0 OUTLIER 'General case' 1 C--N 1.476 6.101 0 CA-C-O 123.551 1.643 . . . . 0.0 113.03 169.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.586 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 6.6 p30 -110.64 39.72 0.16 Allowed Pre-proline 1 C--N 1.49 6.68 0 O-C-N 120.731 -1.231 . . . . 0.0 112.694 172.096 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.78 ' HD3' ' CB ' ' A' ' 77' ' ' ALA . 22.6 Cg_endo -92.15 115.08 0.35 Allowed 'Trans proline' 2 C--N 1.476 7.285 1 C-N-CA 126.732 4.955 . . . . 0.0 114.561 179.288 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 54.4 3.1 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 120.672 -1.268 . . . . 0.0 111.463 171.69 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -42.56 105.89 0.05 Allowed 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.745 0.783 . . . . 0.0 111.009 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 -75.31 0.01 OUTLIER 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.746 0.784 . . . . 0.0 111.015 175.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -172.53 114.16 0.29 Allowed 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.713 0.768 . . . . 0.0 110.977 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.35 148.93 46.64 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.741 0.781 . . . . 0.0 111.039 -172.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -151.44 142.75 23.37 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.755 0.788 . . . . 0.0 110.942 172.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.58 100.77 6.37 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 121.809 0.814 . . . . 0.0 111.027 -172.39 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -44.24 1.97 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.231 0 CA-C-O 121.729 0.776 . . . . 0.0 110.935 172.712 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.29 172.47 6.9 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.767 0.794 . . . . 0.0 110.977 174.059 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -101.72 -19.44 15.38 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.732 0.777 . . . . 0.0 111.077 -172.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.68 131.68 41.89 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.758 0.79 . . . . 0.0 110.985 176.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.0 t -145.89 98.39 3.11 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.722 0.772 . . . . 0.0 110.97 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--N 1.478 6.173 0 CA-C-O 121.988 0.899 . . . . 0.0 110.98 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.432 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.749 0.785 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -106.63 -170.36 1.71 Allowed 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.767 0.794 . . . . 0.0 110.974 -173.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -27.26 0.22 Allowed 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.749 0.785 . . . . 0.0 110.988 177.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.19 -71.96 0.06 Allowed 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.775 0.797 . . . . 0.0 110.998 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -149.82 141.42 23.5 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.769 0.795 . . . . 0.0 110.994 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -165.03 0.19 Allowed 'General case' 1 C--N 1.478 6.188 0 CA-C-O 121.713 0.768 . . . . 0.0 111.005 173.472 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.59 94.61 5.68 Favored 'General case' 1 C--N 1.478 6.17 0 CA-C-O 121.688 0.756 . . . . 0.0 110.996 178.144 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -147.6 -75.54 0.19 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.751 0.786 . . . . 0.0 111.009 -175.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.74 -30.1 71.17 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.754 0.788 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.27 -56.51 7.35 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.036 0.922 . . . . 0.0 110.917 -176.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 2.8 pt20 -57.54 -47.95 80.62 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 122.463 1.125 . . . . 0.0 111.052 -177.188 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -40.68 -72.91 0.05 Allowed 'General case' 1 C--N 1.48 6.251 0 CA-C-O 123.915 1.817 . . . . 0.0 112.367 175.696 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.081 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 54.7 t-105 -76.23 -23.46 54.55 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 120.713 -1.242 . . . . 0.0 111.541 -169.235 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 tm0? -60.75 -32.71 71.99 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.46 1.124 . . . . 0.0 108.727 170.359 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.759 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 60.4 m -61.45 -33.34 73.57 Favored 'General case' 1 C--N 1.483 6.398 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.214 171.339 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.956 HG23 ' HA ' ' A' ' 13' ' ' TRP 0.272 1.3 t -67.06 -65.42 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.492 6.762 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.023 171.274 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HE1' ' A' ' 13' ' ' TRP . 32.2 mt -51.78 -49.08 63.4 Favored 'General case' 1 C--N 1.476 6.066 0 O-C-N 119.01 -2.307 . . . . 0.0 109.996 -171.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' GLN . . . -88.86 -21.95 23.42 Favored 'General case' 1 C--N 1.489 6.634 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -168.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 2.06 62.86 0.0 OUTLIER 'General case' 1 C--N 1.475 6.055 0 CA-C-O 124.105 1.907 . . . . 0.0 113.725 -167.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 4.0 t0 -56.35 -54.43 53.15 Favored Pre-proline 1 C--N 1.493 6.813 0 O-C-N 120.593 -1.317 . . . . 0.0 109.739 170.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 64.5 Cg_endo -75.19 -159.65 0.09 OUTLIER 'Trans proline' 2 C--N 1.479 7.433 1 C-N-CA 125.512 4.142 . . . . 0.0 112.502 178.171 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' A' ' 40' ' ' PRO . 3.4 t30 -89.92 -79.24 0.34 Allowed 'General case' 1 C--N 1.475 6.046 0 CA-C-O 123.069 1.414 . . . . 0.0 108.82 171.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . . . -156.45 91.45 1.24 Allowed 'General case' 1 C--N 1.483 6.407 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.529 170.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -37.76 106.98 0.06 Allowed 'General case' 1 C--N 1.479 6.204 0 CA-C-O 124.238 1.97 . . . . 0.0 111.715 -171.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 -86.35 0.96 Allowed Glycine 1 C--N 1.48 8.553 0 N-CA-C 105.03 -3.228 . . . . 0.0 105.03 170.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -161.28 23.83 0.13 Allowed 'General case' 1 C--N 1.474 5.984 0 CA-C-N 113.72 -1.24 . . . . 0.0 109.802 167.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.42 157.16 1.07 Allowed 'General case' 1 C--N 1.485 6.476 0 CA-C-O 123.355 1.55 . . . . 0.0 112.864 -170.337 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.942 HG22 ' HB2' ' A' ' 55' ' ' TYR . 2.3 m -141.4 157.42 21.76 Favored 'Isoleucine or valine' 1 C--N 1.487 6.58 0 O-C-N 120.993 -1.067 . . . . 0.0 110.452 -169.533 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -139.91 136.85 34.31 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 120.849 -1.157 . . . . 0.0 110.21 -178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.645 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -122.63 111.33 16.63 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.18 -0.95 . . . . 0.0 111.106 -172.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.074 HG21 ' HB3' ' A' ' 47' ' ' ALA . 6.8 p -95.8 110.18 23.91 Favored 'Isoleucine or valine' 1 C--N 1.479 6.212 0 CA-C-O 121.304 0.574 . . . . 0.0 110.487 175.578 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.8 ptt180 -84.83 26.97 0.78 Allowed 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.478 -0.764 . . . . 0.0 112.824 -171.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 2.1 m -106.89 -38.52 6.04 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 121.113 -0.992 . . . . 0.0 110.285 -178.665 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.4 m -101.4 -9.47 21.09 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.878 171.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.95 51.04 11.13 Favored Glycine 1 C--N 1.479 8.521 0 O-C-N 121.549 -0.719 . . . . 0.0 112.277 171.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.2 pt -135.86 141.1 42.87 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.433 -1.04 . . . . 0.0 110.574 171.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.029 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -111.09 104.8 13.38 Favored 'General case' 1 C--N 1.478 6.18 0 O-C-N 120.657 -1.277 . . . . 0.0 109.344 171.993 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 37.1 t -122.67 168.08 12.64 Favored 'General case' 1 C--N 1.478 6.157 0 O-C-N 119.698 -1.876 . . . . 0.0 110.775 -169.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.0 175.27 3.18 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 122.758 1.266 . . . . 0.0 108.066 166.812 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.653 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -14.47 -31.5 0.0 OUTLIER 'Trans proline' 1 C--N 1.474 7.163 2 C-N-CA 128.916 6.411 . . . . 0.0 122.578 -178.205 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 t -164.61 160.28 19.95 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-N 122.002 2.183 . . . . 0.0 113.963 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 36' ' ' ILE . 21.4 m -127.89 132.17 49.36 Favored 'General case' 1 C--N 1.49 6.683 0 O-C-N 121.074 -1.016 . . . . 0.0 109.252 170.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -75.27 5.72 5.24 Favored 'General case' 1 C--N 1.475 6.049 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.637 -171.951 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.18 -176.35 5.65 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.648 1.213 . . . . 0.0 110.146 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -42.09 1.06 Allowed 'General case' 1 C--N 1.486 6.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.859 174.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 55.96 173.73 0.03 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.797 0.808 . . . . 0.0 111.08 -177.407 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.074 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -131.98 175.08 9.53 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 122.134 0.969 . . . . 0.0 111.694 -171.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.047 HD22 ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -86.69 178.58 6.99 Favored 'General case' 1 C--N 1.481 6.293 0 CA-C-O 122.203 1.002 . . . . 0.0 111.747 -172.035 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.8 ptm180 -88.02 15.38 7.39 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.691 0.758 . . . . 0.0 111.521 175.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.047 ' CG ' HD22 ' A' ' 48' ' ' LEU . 6.5 mm-40 -86.24 -22.47 26.86 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.805 -0.56 . . . . 0.0 112.358 -171.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.546 HD21 HG22 ' A' ' 31' ' ' VAL 0.288 9.5 p-10 -132.77 18.1 4.24 Favored 'General case' 1 C--N 1.469 5.776 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -176.417 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -94.87 165.16 1.99 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.083 -162.423 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.58 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 27.1 t -126.22 172.11 10.34 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.428 -1.42 . . . . 0.0 111.173 172.027 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.081 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.4 m-85 -141.24 149.05 40.84 Favored 'General case' 1 C--N 1.482 6.358 0 CA-C-O 122.707 1.242 . . . . 0.0 112.106 174.112 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.942 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.68 160.36 43.65 Favored 'General case' 1 C--N 1.481 6.296 0 C-N-CA 123.743 0.817 . . . . 0.0 109.927 -178.182 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.13 -25.51 39.86 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 119.646 -1.909 . . . . 0.0 112.004 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.785 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 12.9 t-20 -143.33 159.5 42.24 Favored 'General case' 1 C--N 1.479 6.219 0 O-C-N 121.291 -0.88 . . . . 0.0 111.143 174.361 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.701 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -65.69 -30.78 71.51 Favored 'General case' 1 C--N 1.482 6.327 0 O-C-N 121.455 -0.778 . . . . 0.0 112.172 176.643 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.785 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -48.66 -32.12 7.83 Favored 'General case' 1 C--N 1.479 6.211 0 O-C-N 121.245 -0.909 . . . . 0.0 111.186 176.258 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.86 ' CG ' ' HD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -73.66 -64.74 0.93 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.724 0.773 . . . . 0.0 111.445 -179.471 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.937 ' CB ' ' HD2' ' A' ' 37' ' ' PHE . . . -52.31 -12.92 0.29 Allowed 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.542 -0.724 . . . . 0.0 112.241 172.038 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -83.49 -42.56 16.74 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.787 -1.196 . . . . 0.0 110.438 171.533 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.42 -26.16 7.52 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 122.164 0.983 . . . . 0.0 110.233 171.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.24 -40.58 70.95 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.699 1.238 . . . . 0.0 109.724 171.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 102.6 40.21 2.59 Favored Glycine 1 C--N 1.483 8.703 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 172.585 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -97.86 -173.12 2.53 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -171.248 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 0.5 OUTLIER -97.44 108.41 44.75 Favored Pre-proline 1 C--N 1.478 6.189 0 CA-C-O 122.449 1.118 . . . . 0.0 113.444 -170.982 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.1 Cg_exo -42.1 110.13 0.14 Allowed 'Trans proline' 1 C--N 1.485 7.737 1 C-N-CA 127.468 5.445 . . . . 0.0 117.1 179.499 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.567 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -131.06 91.36 3.03 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 125.193 2.425 . . . . 0.0 109.518 171.136 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -85.78 -79.05 0.25 Allowed 'General case' 1 C--N 1.499 7.081 0 CA-C-N 114.125 -1.398 . . . . 0.0 109.905 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -71.81 0.17 Allowed 'General case' 1 C--N 1.477 6.119 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 169.107 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 178.99 75.72 0.01 OUTLIER 'General case' 1 C--N 1.479 6.228 0 CA-C-O 122.158 0.98 . . . . 0.0 110.736 168.731 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.84 173.22 0.03 OUTLIER Pre-proline 1 C--N 1.474 6.006 0 CA-C-O 122.923 1.344 . . . . 0.0 114.208 178.318 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -34.01 169.05 0.0 OUTLIER 'Trans proline' 1 C--N 1.484 7.686 1 C-N-CA 127.618 5.546 . . . . 0.0 118.306 -178.94 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -153.22 79.14 1.18 Allowed 'General case' 1 C--N 1.484 6.434 0 CA-C-O 122.149 0.976 . . . . 0.0 110.402 -171.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 86.7 2.82 Favored 'General case' 1 C--N 1.481 6.322 0 CA-C-O 122.155 0.979 . . . . 0.0 110.611 175.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.96 -27.25 0.01 OUTLIER 'General case' 1 C--N 1.476 6.086 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.343 -171.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 90.36 103.92 0.02 OUTLIER Pre-proline 1 C--N 1.477 6.151 0 CA-C-O 122.078 0.942 . . . . 0.0 110.702 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -69.87 -42.89 2.91 Favored 'Trans proline' 1 C--N 1.48 7.448 1 C-N-CA 126.375 4.717 . . . . 0.0 115.489 -179.091 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -175.57 89.9 0.05 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.729 0.776 . . . . 0.0 111.484 -172.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.99 177.76 0.01 OUTLIER 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.832 0.825 . . . . 0.0 111.066 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 65.75 24.57 11.45 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.675 0.75 . . . . 0.0 110.97 172.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -162.69 131.29 4.03 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.732 0.777 . . . . 0.0 110.98 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.27 90.56 0.07 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.727 0.775 . . . . 0.0 110.997 -174.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.52 23.83 0.9 Allowed 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.781 0.801 . . . . 0.0 110.997 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -108.95 73.99 0.88 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.963 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.39 -22.87 4.67 Favored 'Isoleucine or valine' 1 C--N 1.479 6.201 0 CA-C-O 121.752 0.787 . . . . 0.0 110.998 -178.544 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 m -131.59 101.83 5.66 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.668 0.747 . . . . 0.0 111.018 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.84 71.68 1.68 Allowed 'General case' 1 C--N 1.478 6.163 0 CA-C-O 121.74 0.781 . . . . 0.0 111.083 175.225 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.81 93.04 0.97 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.739 0.78 . . . . 0.0 110.987 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.39 -84.69 0.1 Allowed 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.777 0.799 . . . . 0.0 110.989 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 . . . . . 1 C--N 1.479 6.224 0 CA-C-O 121.964 0.888 . . . . 0.0 110.998 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mtt . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 121.752 0.787 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -74.76 -41.88 59.25 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.2 133.8 23.17 Favored 'General case' 1 C--N 1.48 6.248 0 CA-C-O 121.792 0.806 . . . . 0.0 110.889 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.54 123.77 24.59 Favored 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.787 0.803 . . . . 0.0 110.951 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t -136.83 6.12 2.89 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.116 0.484 . . . . 0.0 111.347 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.7 m -86.04 90.98 8.27 Favored 'General case' 1 C--N 1.478 6.194 0 O-C-N 121.52 -0.737 . . . . 0.0 111.635 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.94 95.43 0.06 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.624 0.725 . . . . 0.0 110.313 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.728 HG23 HH11 ' A' ' 12' ' ' ARG . 0.9 OUTLIER -157.61 -52.18 0.07 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.802 0.81 . . . . 0.0 111.369 -171.295 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.82 -38.72 92.13 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.544 0.688 . . . . 0.0 111.476 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -38.25 52.98 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.448 0.642 . . . . 0.0 111.469 -172.034 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.806 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.1 -51.2 68.89 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 123.15 1.452 . . . . 0.0 110.753 172.212 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.806 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -40.91 -59.29 1.47 Allowed 'General case' 1 C--N 1.482 6.344 0 CA-C-O 125.233 2.444 . . . . 0.0 111.942 171.751 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.941 ' HA ' HG23 ' A' ' 16' ' ' VAL . 61.5 t-105 -78.19 -27.27 47.88 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-N 114.074 -1.421 . . . . 0.0 113.292 -167.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.65 -23.85 60.01 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 122.507 1.146 . . . . 0.0 109.066 170.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.743 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 59.9 m -70.07 -42.98 72.1 Favored 'General case' 1 C--N 1.483 6.399 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.826 171.509 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -56.23 -55.06 20.77 Favored 'Isoleucine or valine' 1 C--N 1.489 6.646 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 172.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HE1' ' A' ' 13' ' ' TRP . 12.5 mt -50.14 -47.78 54.0 Favored 'General case' 1 C--N 1.475 6.063 0 O-C-N 119.773 -1.829 . . . . 0.0 109.408 175.262 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.96 58.91 5.06 Favored 'General case' 1 C--N 1.484 6.414 0 C-N-CA 124.184 0.994 . . . . 0.0 112.384 -177.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -30.65 -36.84 0.01 OUTLIER 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.213 -0.929 . . . . 0.0 111.727 171.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -43.12 104.8 0.39 Allowed Pre-proline 1 C--N 1.479 6.219 0 O-C-N 121.417 -0.802 . . . . 0.0 110.703 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -33.84 76.04 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.352 1 C-N-CA 127.265 5.31 . . . . 0.0 117.093 -178.909 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.49 -62.9 1.39 Allowed 'General case' 1 C--N 1.48 6.241 0 CA-C-O 122.127 0.965 . . . . 0.0 110.685 171.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.25 48.35 2.42 Favored 'General case' 1 C--N 1.481 6.297 0 CA-C-O 121.804 0.812 . . . . 0.0 110.955 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.3 -58.19 5.89 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.322 1.058 . . . . 0.0 110.901 -173.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' HA2' ' NH1' ' A' ' 39' ' ' ARG . . . -78.49 6.08 53.81 Favored Glycine 1 C--N 1.482 8.654 0 O-C-N 121.607 -0.683 . . . . 0.0 111.662 -175.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -107.47 0.81 23.06 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.398 -1.06 . . . . 0.0 111.53 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.36 171.36 19.92 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 123.372 1.558 . . . . 0.0 112.488 171.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 55' ' ' TYR . 12.6 m -141.5 155.32 20.49 Favored 'Isoleucine or valine' 1 C--N 1.481 6.298 0 C-N-CA 124.989 1.316 . . . . 0.0 109.415 -169.175 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.028 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -135.88 135.92 40.11 Favored 'General case' 1 C--N 1.477 6.133 0 O-C-N 119.726 -1.859 . . . . 0.0 109.071 -171.742 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.19 102.43 6.93 Favored 'General case' 1 C--N 1.478 6.174 0 O-C-N 121.011 -1.055 . . . . 0.0 111.474 -171.042 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.53 104.25 15.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.208 0 CA-C-O 121.689 0.757 . . . . 0.0 110.406 175.164 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -86.0 31.79 0.62 Allowed 'General case' 1 C--N 1.481 6.302 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -171.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.741 HG22 HG23 ' A' ' 31' ' ' VAL . 12.4 t -102.27 -41.77 6.25 Favored 'General case' 1 C--N 1.478 6.168 0 O-C-N 121.135 -0.978 . . . . 0.0 111.191 177.242 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -100.44 -23.18 14.8 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 122.146 0.974 . . . . 0.0 110.691 172.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.34 56.92 1.41 Allowed Glycine 1 C--N 1.482 8.656 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 171.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -135.24 134.73 52.63 Favored 'Isoleucine or valine' 1 C--N 1.481 6.29 0 O-C-N 120.633 -1.51 . . . . 0.0 112.089 170.672 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.871 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.3 p90 -102.39 94.07 5.5 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.677 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 27.4 t -115.95 165.02 13.58 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 120.123 -1.611 . . . . 0.0 111.399 -170.147 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' NH1' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -70.72 153.63 94.77 Favored Pre-proline 1 C--N 1.475 6.036 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 165.283 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -14.63 145.23 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.916 1 C-N-CA 127.277 5.318 . . . . 0.0 118.875 -176.908 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.638 ' OG ' HG12 ' A' ' 16' ' ' VAL . 69.7 m 2.72 114.84 0.0 OUTLIER 'General case' 1 C--N 1.487 6.578 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.186 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 93.2 m -68.54 156.18 38.52 Favored 'General case' 1 C--N 1.491 6.76 0 CA-C-O 122.665 1.221 . . . . 0.0 109.254 169.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -10.32 18.82 Favored 'General case' 1 C--N 1.477 6.115 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.318 -171.471 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.02 -174.57 4.93 Favored 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.594 1.187 . . . . 0.0 109.612 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.73 95.99 0.01 OUTLIER 'General case' 1 C--N 1.488 6.599 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.116 172.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 151.83 20.02 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.097 0.951 . . . . 0.0 112.046 -171.172 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.006 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -100.31 165.61 11.38 Favored 'General case' 1 C--N 1.481 6.326 0 CA-C-O 121.833 0.825 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 171.94 11.4 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.977 0.894 . . . . 0.0 110.853 -173.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -69.02 -13.26 62.35 Favored 'General case' 1 C--N 1.482 6.35 0 CA-C-O 121.458 0.646 . . . . 0.0 111.964 172.261 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -87.93 10.93 17.15 Favored 'General case' 1 C--N 1.482 6.341 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -170.778 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' OD1' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -136.92 17.38 3.03 Favored 'General case' 1 C--N 1.469 5.777 0 CA-C-O 124.373 2.035 . . . . 0.0 107.473 171.628 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.01 150.82 6.97 Favored 'Isoleucine or valine' 1 C--N 1.496 6.966 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.819 -164.84 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ALA . 32.0 t -134.1 138.31 45.18 Favored 'General case' 1 C--N 1.476 6.104 0 O-C-N 119.884 -1.76 . . . . 0.0 110.575 171.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.028 ' CE1' ' HB2' ' A' ' 29' ' ' PHE . 20.6 m-85 -120.37 140.45 51.29 Favored 'General case' 1 C--N 1.484 6.453 0 O-C-N 120.375 -1.453 . . . . 0.0 114.601 -170.692 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.889 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -138.07 156.58 47.64 Favored 'General case' 1 C--N 1.488 6.6 0 O-C-N 121.014 -1.054 . . . . 0.0 110.559 -171.827 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.55 78.63 Favored 'General case' 1 C--N 1.484 6.421 0 O-C-N 119.932 -1.73 . . . . 0.0 113.941 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 2.4 t-20 -152.3 158.66 43.09 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.972 -1.08 . . . . 0.0 112.223 -174.089 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.5 68.43 Favored 'General case' 1 C--N 1.483 6.385 0 CA-C-O 121.387 0.613 . . . . 0.0 111.617 -173.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.497 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 4.1 m -59.66 -34.34 72.71 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.761 0.791 . . . . 0.0 110.85 -174.665 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -65.86 -55.38 17.34 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.582 0.706 . . . . 0.0 111.286 177.009 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -55.77 -28.55 56.58 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.706 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.83 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -72.54 -40.69 66.53 Favored 'General case' 1 C--N 1.477 6.114 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 171.692 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -56.5 -29.07 61.4 Favored 'General case' 1 C--N 1.478 6.172 0 CA-C-O 121.753 0.787 . . . . 0.0 110.98 171.455 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -68.73 -33.14 73.43 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.305 1.05 . . . . 0.0 110.05 173.26 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.57 32.73 6.16 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 176.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.871 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -103.43 -173.24 2.27 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 122.319 -0.518 . . . . 0.0 111.958 -171.942 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -96.47 119.28 64.37 Favored Pre-proline 1 C--N 1.479 6.237 0 O-C-N 120.91 -1.119 . . . . 0.0 112.1 -173.018 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -61.66 97.76 0.15 Allowed 'Trans proline' 1 C--N 1.481 7.526 1 C-N-CA 126.857 5.038 . . . . 0.0 115.16 -179.009 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.592 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.3 t -109.69 101.13 10.05 Favored 'General case' 1 C--N 1.478 6.161 0 CA-C-O 124.83 2.252 . . . . 0.0 109.815 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -77.65 0.42 Allowed 'General case' 1 C--N 1.497 7.017 0 O-C-N 120.534 -1.354 . . . . 0.0 110.409 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.678 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.3 -71.9 0.13 Allowed 'General case' 1 C--N 1.477 6.112 0 CA-C-O 122.764 1.269 . . . . 0.0 107.805 170.376 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.43 52.53 0.0 OUTLIER 'General case' 1 C--N 1.479 6.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.532 168.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -40.09 111.66 0.76 Allowed Pre-proline 1 C--N 1.474 5.992 0 CA-C-O 122.03 0.919 . . . . 0.0 112.901 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -75.38 -100.89 0.01 OUTLIER 'Trans proline' 1 C--N 1.481 7.533 1 C-N-CA 126.481 4.788 . . . . 0.0 115.004 179.185 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.18 82.95 0.17 Allowed 'General case' 1 C--N 1.495 6.922 0 CA-C-N 119.22 0.918 . . . . 0.0 110.182 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -30.91 19.23 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.608 176.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.02 64.38 0.01 OUTLIER 'General case' 1 C--N 1.475 6.035 0 O-C-N 121.674 -0.641 . . . . 0.0 112.458 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.48 72.21 1.02 Allowed Pre-proline 1 C--N 1.478 6.193 0 CA-C-O 121.977 0.894 . . . . 0.0 111.244 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -42.71 146.63 0.76 Allowed 'Trans proline' 1 C--N 1.479 7.395 1 C-N-CA 126.259 4.639 . . . . 0.0 114.58 -179.201 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.59 174.93 0.08 Allowed 'General case' 1 C--N 1.48 6.247 0 O-C-N 121.286 -0.883 . . . . 0.0 111.3 173.055 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.99 -174.86 0.0 OUTLIER 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.083 0.944 . . . . 0.0 111.584 172.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 83' ' ' ARG . 32.4 p80 -79.88 -46.42 16.86 Favored 'General case' 1 C--N 1.48 6.269 0 CA-C-O 121.674 0.749 . . . . 0.0 111.056 -173.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.616 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER 63.23 113.76 0.02 OUTLIER 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.648 0.737 . . . . 0.0 111.023 -172.669 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER 83.78 64.97 0.01 OUTLIER 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.755 0.788 . . . . 0.0 110.952 173.722 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -168.98 65.23 0.06 Allowed 'General case' 1 C--N 1.479 6.202 0 CA-C-O 121.91 0.862 . . . . 0.0 110.918 172.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 172.06 15.96 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.789 0.804 . . . . 0.0 110.976 -176.01 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -137.03 -75.19 0.12 Allowed 'Isoleucine or valine' 1 C--N 1.48 6.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 -174.015 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.437 ' N ' HG13 ' A' ' 87' ' ' ILE . 4.1 p -137.54 93.71 2.83 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.773 0.796 . . . . 0.0 111.027 -175.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 28.09 9.07 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.757 0.789 . . . . 0.0 111.053 178.307 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 45.95 52.31 10.02 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.707 0.765 . . . . 0.0 111.013 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.73 -58.47 0.16 Allowed 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.902 0.858 . . . . 0.0 110.958 -173.267 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 . . . . . 1 C--N 1.479 6.201 0 CA-C-O 122.046 0.927 . . . . 0.0 111.032 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.97 0.891 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -20.96 2.23 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 121.714 0.769 . . . . 0.0 110.803 172.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -40.92 62.99 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.346 0.593 . . . . 0.0 111.094 -176.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -48.2 81.98 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 122.536 1.16 . . . . 0.0 110.613 174.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.34 -73.45 0.05 OUTLIER 'General case' 1 C--N 1.479 6.239 0 CA-C-O 124.701 2.191 . . . . 0.0 112.655 171.968 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.876 ' HA ' HG23 ' A' ' 16' ' ' VAL . 26.0 t-105 -68.8 -25.57 64.76 Favored 'General case' 1 C--N 1.489 6.669 0 O-C-N 120.53 -1.356 . . . . 0.0 111.089 -169.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -41.04 78.35 Favored 'General case' 1 C--N 1.482 6.364 0 CA-C-O 122.076 0.941 . . . . 0.0 109.414 171.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.785 ' HB3' ' O ' ' A' ' 12' ' ' ARG . 9.9 t -49.5 -38.29 29.76 Favored 'General case' 1 C--N 1.483 6.375 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.18 171.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.4 t -65.22 -57.36 11.35 Favored 'Isoleucine or valine' 1 C--N 1.492 6.791 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 ' HE1' ' A' ' 13' ' ' TRP . 10.3 mt . . . . . 1 C--N 1.477 6.128 0 O-C-N 119.914 -1.741 . . . . 0.0 109.768 -171.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' HE1' ' HG ' ' A' ' 15' ' ' SER . 16.2 p90 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 121.886 0.851 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.131 HG23 ' CD1' ' A' ' 55' ' ' TYR . 34.5 m -122.52 152.44 26.85 Favored 'Isoleucine or valine' 1 C--N 1.477 6.119 0 O-C-N 120.87 -1.144 . . . . 0.0 109.767 -170.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' HD1' HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -135.05 132.79 38.66 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.55 -1.344 . . . . 0.0 110.489 -171.761 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.28 99.51 6.74 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.705 0.764 . . . . 0.0 110.729 -172.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -90.98 110.27 22.1 Favored 'Isoleucine or valine' 1 C--N 1.478 6.18 0 CA-C-O 121.583 0.706 . . . . 0.0 110.5 173.025 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -82.12 19.2 1.2 Allowed 'General case' 1 C--N 1.48 6.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' CB ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -100.27 -33.59 10.35 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.105 -0.997 . . . . 0.0 110.786 176.66 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.862 HG22 HG23 ' A' ' 36' ' ' ILE . 16.6 m -97.15 -3.48 40.98 Favored 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.94 -0.475 . . . . 0.0 111.193 172.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.12 42.34 97.04 Favored Glycine 1 C--N 1.479 8.508 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 34' ' ' THR . 1.0 OUTLIER -129.28 130.55 67.76 Favored 'Isoleucine or valine' 1 C--N 1.483 6.388 0 CA-C-O 122.398 1.094 . . . . 0.0 112.505 174.713 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.977 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -107.87 109.34 20.84 Favored 'General case' 1 C--N 1.479 6.196 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 169.921 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.013 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -139.51 163.51 32.35 Favored 'General case' 1 C--N 1.477 6.112 0 O-C-N 120.246 -1.534 . . . . 0.0 110.863 -169.595 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -74.9 140.99 74.6 Favored Pre-proline 1 C--N 1.479 6.231 0 CA-C-O 122.252 1.025 . . . . 0.0 109.386 175.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -11.5 -37.33 0.0 OUTLIER 'Trans proline' 1 C--N 1.475 7.22 2 C-N-CA 129.499 6.799 . . . . 0.0 124.518 -177.39 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -98.89 43.39 1.06 Allowed 'General case' 1 C--N 1.477 6.136 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -72.01 103.18 3.16 Favored 'General case' 1 C--N 1.492 6.795 0 O-C-N 120.612 -1.305 . . . . 0.0 109.234 171.653 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.08 -52.48 7.35 Favored 'General case' 1 C--N 1.481 6.294 0 C-N-CA 123.588 0.755 . . . . 0.0 112.445 -171.136 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.06 143.69 0.16 Allowed 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.192 0.996 . . . . 0.0 110.222 173.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.59 95.98 0.01 OUTLIER 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.804 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -96.68 135.96 37.87 Favored 'General case' 1 C--N 1.482 6.337 0 CA-C-O 121.746 0.784 . . . . 0.0 110.875 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.957 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -48.82 172.48 0.02 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.917 0.865 . . . . 0.0 110.831 174.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.847 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.32 -172.59 4.23 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 122.753 1.263 . . . . 0.0 111.78 -171.758 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 7.2 ttm180 -88.43 18.53 4.44 Favored 'General case' 1 C--N 1.481 6.307 0 CA-C-O 122.122 0.963 . . . . 0.0 110.778 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.847 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.18 -23.2 24.88 Favored 'General case' 1 C--N 1.481 6.319 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.083 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.683 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.46 24.85 2.92 Favored 'General case' 1 C--N 1.471 5.876 0 CA-C-O 125.306 2.479 . . . . 0.0 107.19 -175.017 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.714 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -99.14 142.14 15.44 Favored 'Isoleucine or valine' 1 C--N 1.498 7.054 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.679 -165.309 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.9 t -127.82 124.54 37.84 Favored 'General case' 1 C--N 1.477 6.109 0 O-C-N 120.472 -1.392 . . . . 0.0 111.648 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' CE1' HG13 ' A' ' 52' ' ' VAL . 11.3 m-85 -102.13 149.84 23.86 Favored 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.392 1.091 . . . . 0.0 112.315 -171.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.131 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -144.08 162.82 35.29 Favored 'General case' 1 C--N 1.478 6.189 0 C-N-CA 123.271 0.629 . . . . 0.0 110.494 177.85 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.62 -41.35 65.62 Favored 'General case' 1 C--N 1.482 6.329 0 O-C-N 119.343 -2.098 . . . . 0.0 112.155 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.535 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 21.4 t-20 -131.82 152.07 51.24 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.362 -0.837 . . . . 0.0 111.107 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.17 -13.73 62.45 Favored 'General case' 1 C--N 1.48 6.254 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.535 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 5.1 t -60.65 -28.32 68.49 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.245 -0.909 . . . . 0.0 110.668 177.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.832 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.49 -64.53 0.88 Allowed 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.549 0.69 . . . . 0.0 111.654 173.689 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -51.28 -24.39 4.46 Favored 'General case' 1 C--N 1.481 6.319 0 O-C-N 121.421 -0.799 . . . . 0.0 112.516 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' CD2' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.62 -48.37 19.34 Favored 'General case' 1 C--N 1.477 6.149 0 O-C-N 121.216 -0.928 . . . . 0.0 110.378 171.994 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.46 -22.76 2.05 Favored 'General case' 1 C--N 1.478 6.178 0 CA-C-O 121.856 0.836 . . . . 0.0 110.763 171.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.67 -42.85 67.0 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 122.586 1.184 . . . . 0.0 109.834 172.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.02 36.71 2.48 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 175.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.977 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -106.26 -172.64 2.12 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-N 115.093 -0.554 . . . . 0.0 112.006 -171.584 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.16 102.46 10.9 Favored Pre-proline 1 C--N 1.479 6.235 0 O-C-N 120.875 -1.14 . . . . 0.0 112.441 -171.912 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.815 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 32.3 Cg_exo -63.05 95.73 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.408 1 C-N-CA 127.471 5.447 . . . . 0.0 115.53 -179.483 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 1.013 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -99.39 114.64 27.67 Favored 'General case' 1 C--N 1.483 6.393 0 CA-C-O 123.751 1.738 . . . . 0.0 113.125 170.487 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -120.75 26.13 9.29 Favored 'General case' 1 C--N 1.491 6.72 0 CA-C-O 122.791 1.281 . . . . 0.0 110.219 170.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.77 40.8 0.24 Allowed 'General case' 1 C--N 1.481 6.304 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.449 -172.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 42' ' ' CYS 0.353 95.6 m . . . . . 1 C--N 1.484 6.434 1 CA-C-O 130.983 5.183 . . . . 0.0 108.619 -170.694 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.683 0.754 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.11 -33.32 63.55 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.579 0.704 . . . . 0.0 111.374 -172.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -73.43 -51.69 16.36 Favored 'General case' 1 C--N 1.48 6.273 0 CA-C-O 121.953 0.883 . . . . 0.0 110.843 -175.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.43 -42.36 87.14 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 122.293 1.044 . . . . 0.0 110.759 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.8 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.6 -76.72 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 123.631 1.681 . . . . 0.0 112.885 173.25 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.827 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 22.6 t-105 -72.0 -32.02 66.8 Favored 'General case' 1 C--N 1.487 6.544 0 O-C-N 120.743 -1.223 . . . . 0.0 111.418 -170.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -55.57 -32.2 62.82 Favored 'General case' 1 C--N 1.481 6.302 0 CA-C-O 121.965 0.888 . . . . 0.0 109.791 171.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.8 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.7 m -58.02 -41.87 84.06 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.36 171.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.827 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 16.6 t -49.97 -55.93 4.48 Favored 'Isoleucine or valine' 1 C--N 1.494 6.885 0 C-N-CA 119.594 -0.842 . . . . 0.0 111.099 171.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' NE1' ' A' ' 13' ' ' TRP . 11.8 mt . . . . . 1 C--N 1.476 6.076 0 CA-C-O 123.463 1.601 . . . . 0.0 109.871 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 CA--C 1.507 -0.701 0 CA-C-O 122.102 0.954 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.121 HG23 ' HD1' ' A' ' 55' ' ' TYR . 17.6 m -143.74 151.7 16.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.25 -0.906 . . . . 0.0 109.346 -170.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -134.16 143.45 47.92 Favored 'General case' 1 C--N 1.476 6.094 0 O-C-N 120.991 -1.068 . . . . 0.0 110.567 -175.046 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -128.01 97.14 4.69 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.775 0.798 . . . . 0.0 111.044 -172.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.745 ' HB ' HG23 ' A' ' 52' ' ' VAL . 8.4 p -91.42 111.44 23.9 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-O 121.11 0.481 . . . . 0.0 110.594 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -84.26 29.22 0.59 Allowed 'General case' 1 C--N 1.481 6.307 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 -171.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -100.56 -35.01 9.67 Favored 'General case' 1 C--N 1.478 6.17 0 O-C-N 121.056 -1.027 . . . . 0.0 110.939 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 36' ' ' ILE . 10.3 m -110.92 16.91 20.99 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-O 121.404 0.621 . . . . 0.0 111.236 172.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 48.76 36.51 19.31 Favored Glycine 1 C--N 1.479 8.497 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 174.42 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 34' ' ' THR . 1.1 pt -122.74 135.35 63.1 Favored 'Isoleucine or valine' 1 C--N 1.482 6.336 0 CA-C-O 122.56 1.172 . . . . 0.0 112.005 174.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.957 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -114.01 127.76 56.09 Favored 'General case' 1 C--N 1.478 6.158 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 171.257 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 43.4 t -139.39 156.32 47.06 Favored 'General case' 1 C--N 1.477 6.125 0 O-C-N 120.736 -1.227 . . . . 0.0 113.951 -169.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -76.28 113.37 27.8 Favored Pre-proline 1 C--N 1.477 6.111 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.97 82.48 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 126.251 4.634 . . . . 0.0 114.403 -177.63 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -152.48 -34.33 0.13 Allowed 'General case' 1 C--N 1.491 6.747 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -56.14 100.03 0.04 OUTLIER 'General case' 1 C--N 1.487 6.586 0 CA-C-O 122.444 1.116 . . . . 0.0 109.182 -171.637 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -68.48 -41.28 80.34 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -169.636 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 177.39 0.42 Allowed 'General case' 1 C--N 1.478 6.159 0 CA-C-O 122.637 1.208 . . . . 0.0 110.183 -171.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -50.69 -27.32 6.8 Favored 'General case' 1 C--N 1.487 6.557 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.224 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CE1' HG11 ' A' ' 31' ' ' VAL . 1.4 t60 40.48 -96.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.514 0.673 . . . . 0.0 112.159 171.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -165.14 158.2 16.41 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.816 0.817 . . . . 0.0 111.076 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -75.13 168.67 19.52 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.041 0.924 . . . . 0.0 111.158 179.677 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -84.35 8.84 14.78 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.817 0.818 . . . . 0.0 111.033 171.913 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.88 ' HB2' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -86.56 -1.18 57.43 Favored 'General case' 1 C--N 1.481 6.312 0 O-C-N 121.053 -1.029 . . . . 0.0 113.704 -170.378 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.459 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -139.14 23.98 2.55 Favored 'General case' 1 C--N 1.471 5.853 0 CA-C-O 125.593 2.616 . . . . 0.0 107.374 171.687 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -100.71 142.8 15.09 Favored 'Isoleucine or valine' 1 C--N 1.502 7.207 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.785 -165.317 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 21.2 t -105.16 173.2 6.41 Favored 'General case' 1 C--N 1.478 6.152 0 O-C-N 120.464 -1.398 . . . . 0.0 110.886 172.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 21.1 m-85 -135.99 153.96 51.23 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 121.309 -0.87 . . . . 0.0 111.938 174.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.121 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.66 155.75 39.0 Favored 'General case' 1 C--N 1.481 6.315 0 O-C-N 121.652 -0.655 . . . . 0.0 111.001 172.869 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.35 75.76 Favored 'General case' 1 C--N 1.481 6.311 0 O-C-N 120.638 -1.289 . . . . 0.0 112.061 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.662 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 22.7 t-20 -143.82 152.6 41.41 Favored 'General case' 1 C--N 1.48 6.244 0 O-C-N 121.254 -0.904 . . . . 0.0 111.396 174.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -61.61 -20.12 62.99 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 121.236 0.541 . . . . 0.0 111.704 -177.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -48.33 -47.2 37.08 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.903 0.859 . . . . 0.0 110.741 177.371 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.763 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.94 -47.53 58.5 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.864 -176.874 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.81 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -50.82 -29.05 10.69 Favored 'General case' 1 C--N 1.481 6.296 0 O-C-N 120.983 -1.073 . . . . 0.0 112.29 172.167 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -75.65 -43.29 48.36 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 121.353 -0.842 . . . . 0.0 110.555 173.926 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -24.14 20.08 Favored 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.282 171.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.18 -39.28 86.41 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.899 1.333 . . . . 0.0 108.947 171.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.36 24.9 6.9 Favored Glycine 1 C--N 1.484 8.77 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 172.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.957 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -94.08 -173.43 3.11 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-N 114.895 -0.652 . . . . 0.0 112.142 -171.783 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -96.75 115.8 65.83 Favored Pre-proline 1 C--N 1.48 6.254 0 O-C-N 120.862 -1.149 . . . . 0.0 112.652 -171.736 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' ARG . 36.1 Cg_endo -59.21 104.16 0.2 Allowed 'Trans proline' 1 C--N 1.482 7.568 1 C-N-CA 126.84 5.027 . . . . 0.0 115.179 -179.071 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 17.3 t -106.34 104.0 13.6 Favored 'General case' 1 C--N 1.477 6.142 0 CA-C-O 124.056 1.884 . . . . 0.0 110.078 171.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.46 -80.23 0.33 Allowed 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.328 -171.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp85 -62.12 -74.29 0.09 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 171.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--N 1.478 6.18 0 CA-C-O 122.485 1.136 . . . . 0.0 110.893 168.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.243 0.733 0 CA-C-O 121.42 0.629 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -37.7 62.3 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.813 0.815 . . . . 0.0 110.682 174.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -47.57 -75.09 0.03 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.951 0.882 . . . . 0.0 110.638 172.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -45.59 -42.59 11.35 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.958 0.885 . . . . 0.0 111.237 -174.909 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mtm-85 -54.64 -78.69 0.02 OUTLIER 'General case' 1 C--N 1.478 6.16 0 CA-C-O 124.067 1.889 . . . . 0.0 113.046 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.864 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.6 t-105 -68.17 -25.57 65.32 Favored 'General case' 1 C--N 1.49 6.675 0 O-C-N 120.606 -1.309 . . . . 0.0 110.102 -170.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.67 -41.65 86.65 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 122.087 0.946 . . . . 0.0 109.567 171.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.803 ' HB3' ' O ' ' A' ' 12' ' ' ARG . 10.2 t -45.52 -38.35 6.25 Favored 'General case' 1 C--N 1.484 6.423 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.574 171.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.5 t -68.15 -56.32 13.17 Favored 'Isoleucine or valine' 1 C--N 1.494 6.855 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 171.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.0 mt . . . . . 1 C--N 1.477 6.128 0 O-C-N 120.043 -1.661 . . . . 0.0 110.252 -171.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.873 0 CA-C-O 121.552 0.691 . . . . 0.0 111.994 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.937 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.3 m -128.52 155.41 40.29 Favored 'Isoleucine or valine' 1 C--N 1.478 6.188 0 O-C-N 121.009 -1.057 . . . . 0.0 110.098 -170.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -137.88 136.13 36.81 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.76 -1.212 . . . . 0.0 110.371 -171.304 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.54 ' HB2' ' OH ' ' A' ' 55' ' ' TYR . . . -119.46 101.77 8.18 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.117 -0.99 . . . . 0.0 112.083 -174.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 47' ' ' ALA . 9.6 p -86.13 91.9 3.42 Favored 'Isoleucine or valine' 1 C--N 1.476 6.104 0 CA-C-O 121.423 0.63 . . . . 0.0 109.604 171.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.17 31.47 0.56 Allowed 'General case' 1 C--N 1.482 6.361 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -169.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.484 ' HB ' ' ND2' ' A' ' 51' ' ' ASN . 11.4 t -101.46 -42.69 6.17 Favored 'General case' 1 C--N 1.478 6.182 0 O-C-N 120.761 -1.212 . . . . 0.0 109.846 -179.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 m -96.31 -14.48 22.55 Favored 'General case' 1 C--N 1.48 6.259 0 CA-C-O 122.247 1.022 . . . . 0.0 110.058 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 67' ' ' ARG . . . 84.5 61.38 1.8 Allowed Glycine 1 C--N 1.481 8.618 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.661 171.069 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.478 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -140.48 137.32 36.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.162 0 O-C-N 120.871 -1.37 . . . . 0.0 111.582 169.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.973 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -105.78 108.73 20.39 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 121.552 -0.718 . . . . 0.0 109.135 170.815 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 42.3 t -122.5 156.83 33.31 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 120.029 -1.67 . . . . 0.0 112.748 -170.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.99 118.78 73.63 Favored Pre-proline 1 C--N 1.476 6.067 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 167.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.563 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -17.35 90.13 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.007 1 C-N-CA 127.046 5.164 . . . . 0.0 115.685 -177.65 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -161.33 -80.59 0.04 OUTLIER 'General case' 1 C--N 1.488 6.621 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -0.35 90.79 0.01 OUTLIER 'General case' 1 C--N 1.482 6.37 0 C-N-CA 125.73 1.612 . . . . 0.0 113.483 -168.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -72.03 3.58 4.27 Favored 'General case' 1 C--N 1.487 6.567 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.815 -171.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 46' ' ' HIS . . . -56.76 -170.9 0.0 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 123.057 1.408 . . . . 0.0 109.829 171.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -19.5 0.03 OUTLIER 'General case' 1 C--N 1.488 6.604 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.488 172.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 44' ' ' ALA . 6.9 t-160 90.81 132.96 0.03 OUTLIER 'General case' 1 C--N 1.478 6.165 0 CA-C-O 122.273 1.035 . . . . 0.0 112.422 170.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -68.21 121.28 15.88 Favored 'General case' 1 C--N 1.483 6.411 0 CA-C-O 121.879 0.847 . . . . 0.0 110.958 177.378 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.503 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.14 157.7 4.53 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.807 0.813 . . . . 0.0 111.049 -179.556 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -85.99 12.0 10.34 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.598 0.713 . . . . 0.0 111.073 171.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.9 -25.12 23.4 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.681 -0.637 . . . . 0.0 112.338 -171.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.285 8.2 p-10 -131.53 18.68 4.77 Favored 'General case' 1 C--N 1.469 5.766 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -176.274 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -97.9 145.3 9.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.225 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.387 -163.64 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.53 171.65 7.39 Favored 'General case' 1 C--N 1.477 6.151 0 O-C-N 120.421 -1.425 . . . . 0.0 110.893 172.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.864 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 53.0 m-85 -138.1 149.59 46.09 Favored 'General case' 1 C--N 1.483 6.4 0 CA-C-O 122.674 1.226 . . . . 0.0 112.295 176.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.937 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.81 157.46 43.67 Favored 'General case' 1 C--N 1.482 6.334 0 C-N-CA 123.853 0.861 . . . . 0.0 109.972 -176.748 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.36 -27.01 32.41 Favored 'General case' 1 C--N 1.479 6.203 0 O-C-N 119.874 -1.766 . . . . 0.0 112.572 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.495 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 5.5 t-20 -145.94 153.58 40.97 Favored 'General case' 1 C--N 1.48 6.259 0 O-C-N 121.155 -0.966 . . . . 0.0 111.599 175.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' CA ' HG11 ' A' ' 28' ' ' VAL . . . -60.48 -33.44 72.58 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.651 -174.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.495 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 19.6 m -43.7 -33.85 1.35 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 122.001 0.905 . . . . 0.0 110.978 -174.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -67.15 -56.24 10.77 Favored 'General case' 1 C--N 1.481 6.318 0 CA-C-O 121.454 0.645 . . . . 0.0 111.295 -179.708 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -56.01 -30.0 61.19 Favored 'General case' 1 C--N 1.48 6.279 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.022 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 63' ' ' ALA . 2.7 pp -78.86 -41.85 28.89 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 121.032 -1.042 . . . . 0.0 110.522 171.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.64 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -52.02 -23.55 5.36 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.895 0.855 . . . . 0.0 110.628 171.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -73.82 -41.55 62.16 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.612 1.196 . . . . 0.0 109.557 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 112.73 33.92 1.97 Allowed Glycine 1 C--N 1.482 8.68 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 173.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.973 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -102.38 -163.3 0.99 Allowed 'General case' 1 C--N 1.48 6.263 0 CA-C-N 114.731 -0.735 . . . . 0.0 111.688 -171.542 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.539 ' NH1' ' HD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -108.57 131.05 22.02 Favored Pre-proline 1 C--N 1.484 6.431 0 O-C-N 120.333 -1.48 . . . . 0.0 110.168 170.368 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 20.4 Cg_endo -83.41 62.67 7.41 Favored 'Trans proline' 1 C--N 1.477 7.317 1 C-N-CA 126.321 4.681 . . . . 0.0 114.097 -179.418 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 16.8 t -41.63 100.51 0.02 OUTLIER 'General case' 1 C--N 1.482 6.345 0 CA-C-O 124.412 2.053 . . . . 0.0 109.791 171.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -79.5 0.34 Allowed 'General case' 1 C--N 1.496 6.953 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.128 -171.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -75.04 0.08 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.478 6.178 0 CA-C-O 122.821 1.296 . . . . 0.0 110.751 168.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.96 0.885 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -23.62 51.2 Favored 'General case' 1 C--N 1.482 6.33 0 CA-C-O 121.858 0.837 . . . . 0.0 110.699 173.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -56.29 24.09 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.16 0.981 . . . . 0.0 110.82 173.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -33.28 75.67 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 122.214 1.007 . . . . 0.0 111.275 -171.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.99 -70.44 0.1 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 125.098 2.38 . . . . 0.0 112.319 171.737 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HA ' HG23 ' A' ' 16' ' ' VAL . 35.9 t-105 -72.24 -18.11 61.85 Favored 'General case' 1 C--N 1.493 6.81 0 O-C-N 120.546 -1.346 . . . . 0.0 109.834 -171.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -39.01 93.26 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.277 1.037 . . . . 0.0 108.658 170.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 4.1 m -44.47 -48.0 10.01 Favored 'General case' 1 C--N 1.487 6.56 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -63.05 -60.84 2.12 Favored 'Isoleucine or valine' 1 C--N 1.493 6.811 0 C-N-CA 119.195 -1.002 . . . . 0.0 113.162 178.062 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD21 ' HE1' ' A' ' 13' ' ' TRP . 11.5 mt . . . . . 1 C--N 1.476 6.096 0 O-C-N 119.242 -2.161 . . . . 0.0 110.125 -172.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.774 ' CE2' ' HE2' ' A' ' 54' ' ' PHE . 11.4 p90 . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.06 HG23 ' HD2' ' A' ' 55' ' ' TYR . 2.5 m -138.32 156.7 30.51 Favored 'Isoleucine or valine' 1 C--N 1.486 6.521 0 C-N-CA 125.187 1.395 . . . . 0.0 109.35 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' HE1' ' HG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -134.52 142.74 47.11 Favored 'General case' 1 C--N 1.477 6.127 0 O-C-N 120.126 -1.608 . . . . 0.0 109.906 -175.672 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -120.15 100.79 7.4 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 121.436 -0.79 . . . . 0.0 110.846 -174.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.963 HG21 ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.84 104.18 15.3 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-O 121.86 0.838 . . . . 0.0 110.32 176.192 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -83.65 28.3 0.57 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -170.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 31' ' ' VAL . 8.7 t -96.27 -41.48 8.64 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 121.207 -0.933 . . . . 0.0 110.754 175.573 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.5 m -101.67 -5.05 25.49 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 72.87 54.75 6.94 Favored Glycine 1 C--N 1.478 8.463 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.1 pt -135.72 128.59 47.28 Favored 'Isoleucine or valine' 1 C--N 1.482 6.345 0 CA-C-O 122.409 1.099 . . . . 0.0 112.569 174.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.9 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -106.58 118.34 36.42 Favored 'General case' 1 C--N 1.48 6.251 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.041 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.029 ' HB2' ' O ' ' A' ' 69' ' ' CYS . 14.6 p -159.9 -159.39 0.72 Allowed 'General case' 1 C--N 1.473 5.97 0 O-C-N 120.919 -1.113 . . . . 0.0 110.464 -174.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 14.8 mmt85 -94.49 160.9 30.68 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 121.406 0.622 . . . . 0.0 110.021 171.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -23.92 162.57 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.267 1 C-N-CA 128.393 6.062 . . . . 0.0 119.733 -179.241 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 46' ' ' HIS . 25.1 p 0.67 117.1 0.0 OUTLIER 'General case' 1 C--N 1.484 6.451 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 -171.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 m -92.43 162.97 14.02 Favored 'General case' 1 C--N 1.49 6.687 0 CA-C-O 123.237 1.494 . . . . 0.0 112.745 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -6.34 -59.17 0.0 OUTLIER 'General case' 1 C--N 1.479 6.22 0 C-N-CA 126.011 1.724 . . . . 0.0 114.276 170.809 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -78.24 -174.35 3.66 Favored 'General case' 1 C--N 1.477 6.148 0 CA-C-O 124.052 1.882 . . . . 0.0 112.88 -169.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.742 ' O ' ' HB3' ' A' ' 46' ' ' HIS . 3.9 ttm180 -41.86 -21.32 0.02 OUTLIER 'General case' 1 C--N 1.489 6.672 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.92 172.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER 89.02 102.55 0.03 OUTLIER 'General case' 1 C--N 1.478 6.17 0 CA-C-O 122.394 1.092 . . . . 0.0 110.779 171.76 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.963 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -46.46 149.27 0.8 Allowed 'General case' 1 C--N 1.483 6.389 0 CA-C-O 121.953 0.882 . . . . 0.0 110.917 -172.166 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.63 174.13 8.76 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.755 0.788 . . . . 0.0 110.926 -177.847 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.3 ptt180 -83.22 9.28 11.01 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.721 -0.612 . . . . 0.0 111.686 173.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.007 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.4 -10.7 51.31 Favored 'General case' 1 C--N 1.479 6.236 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -170.387 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.861 HD21 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.73 21.19 2.69 Favored 'General case' 1 C--N 1.47 5.836 0 CA-C-O 124.908 2.289 . . . . 0.0 107.557 172.168 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -98.95 143.87 12.64 Favored 'Isoleucine or valine' 1 C--N 1.496 6.945 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.39 -165.125 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.595 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -111.55 177.55 4.62 Favored 'General case' 1 C--N 1.477 6.119 0 O-C-N 120.601 -1.312 . . . . 0.0 110.825 175.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HE2' ' CE2' ' A' ' 27' ' ' PHE . 7.0 m-85 -148.31 141.05 24.6 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.652 1.215 . . . . 0.0 112.796 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.06 ' HD2' HG23 ' A' ' 28' ' ' VAL . 3.4 m-85 -145.97 156.73 43.71 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.672 -174.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -9.15 58.19 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 120.179 -1.575 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -162.09 160.27 27.19 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.772 0.796 . . . . 0.0 110.802 171.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -58.97 -31.63 68.92 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.615 0.721 . . . . 0.0 111.269 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.625 ' HA ' HD21 ' A' ' 62' ' ' LEU . 3.4 t -55.56 -28.55 55.58 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.787 0.803 . . . . 0.0 110.845 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.793 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -69.51 -62.19 1.48 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.604 0.716 . . . . 0.0 111.374 173.849 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -54.46 -22.12 11.83 Favored 'General case' 1 C--N 1.48 6.277 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 59' ' ' SER . 2.4 pp -81.1 -43.39 19.52 Favored 'General case' 1 C--N 1.478 6.159 0 O-C-N 120.815 -1.178 . . . . 0.0 110.69 171.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.67 -26.43 9.16 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.916 0.865 . . . . 0.0 110.537 171.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.82 -40.68 75.76 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-O 122.962 1.363 . . . . 0.0 109.392 171.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 108.61 37.74 2.02 Favored Glycine 1 C--N 1.483 8.722 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 172.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.9 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -107.47 -177.72 3.43 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-N 114.635 -0.783 . . . . 0.0 112.265 -170.808 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.9 116.11 64.97 Favored Pre-proline 1 C--N 1.479 6.204 0 CA-C-O 122.492 1.139 . . . . 0.0 113.18 -170.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -55.29 121.04 9.2 Favored 'Trans proline' 1 C--N 1.485 7.75 1 C-N-CA 127.004 5.136 . . . . 0.0 115.282 -179.574 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 1.029 ' O ' ' HB2' ' A' ' 38' ' ' CYS 0.363 7.3 t -131.25 84.37 2.17 Favored 'General case' 1 C--N 1.476 6.102 0 CA-C-O 127.33 3.443 . . . . 0.0 108.689 171.117 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -90.61 0.0 OUTLIER 'General case' 1 C--N 1.506 7.371 0 O-C-N 118.607 -2.558 . . . . 0.0 112.761 -167.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -68.3 0.29 Allowed 'General case' 1 C--N 1.482 6.332 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 171.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 0.5 OUTLIER . . . . . 1 C--N 1.478 6.177 0 CA-C-O 123.712 1.72 . . . . 0.0 110.351 166.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.866 0.841 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.417 ' OD2' ' HD2' ' A' ' 54' ' ' PHE . 1.8 m-20 -55.33 -19.86 9.93 Favored 'General case' 1 C--N 1.481 6.295 0 CA-C-O 121.845 0.831 . . . . 0.0 110.871 172.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.22 -49.67 68.8 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.881 0.848 . . . . 0.0 110.867 177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.79 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -67.89 -46.75 70.75 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.473 1.13 . . . . 0.0 110.934 -176.737 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.79 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.8 mpt_? -40.71 -70.27 0.11 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 124.69 2.186 . . . . 0.0 112.214 173.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.7 t-105 -72.14 -28.56 63.33 Favored 'General case' 1 C--N 1.489 6.639 0 O-C-N 120.622 -1.298 . . . . 0.0 111.204 -170.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.22 -34.25 63.79 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 122.097 0.951 . . . . 0.0 109.572 171.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 1.6 t -58.85 -41.2 86.43 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.647 171.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.8 t -53.86 -57.26 5.95 Favored 'Isoleucine or valine' 1 C--N 1.494 6.851 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.017 171.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 1 C--N 1.476 6.097 0 CA-C-O 123.75 1.738 . . . . 0.0 109.084 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.701 ' HE1' ' HG3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.507 -0.684 0 CA-C-O 123.049 1.404 . . . . 0.0 112.925 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.969 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.7 m -128.99 160.35 39.95 Favored 'Isoleucine or valine' 1 C--N 1.483 6.383 0 C-N-CA 124.432 1.093 . . . . 0.0 109.876 -172.144 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -134.88 159.63 40.79 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.523 -1.361 . . . . 0.0 109.895 174.283 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.92 5.57 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 120.971 -1.081 . . . . 0.0 111.6 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.954 HG21 ' HB3' ' A' ' 47' ' ' ALA . 7.7 p -96.35 102.27 13.32 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.007 176.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.21 50.65 2.02 Favored 'General case' 1 C--N 1.478 6.153 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -44.18 8.02 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 120.434 -1.416 . . . . 0.0 110.043 178.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.4 m -112.27 -40.55 4.13 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-O 122.47 1.129 . . . . 0.0 110.013 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.03 72.14 0.14 Allowed Glycine 1 C--N 1.486 8.869 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.368 171.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -137.75 136.3 45.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.235 0 O-C-N 121.077 -1.249 . . . . 0.0 111.482 171.455 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.005 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.4 p90 -112.94 111.58 22.44 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.417 -0.802 . . . . 0.0 109.167 171.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.8 t -127.47 159.19 35.3 Favored 'General case' 1 C--N 1.478 6.167 0 O-C-N 120.242 -1.536 . . . . 0.0 112.79 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.19 122.8 87.51 Favored Pre-proline 1 C--N 1.475 6.046 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 167.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.701 ' HG3' ' HE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -13.69 59.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.887 1 C-N-CA 128.577 6.185 . . . . 0.0 120.083 -176.56 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.48 118.41 0.04 OUTLIER 'General case' 1 C--N 1.48 6.277 0 O-C-N 120.814 -1.179 . . . . 0.0 113.147 171.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 10.3 m -142.43 96.37 2.94 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 120.408 -1.433 . . . . 0.0 109.981 168.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -2.19 -74.04 0.0 OUTLIER 'General case' 1 C--N 1.477 6.109 0 C-N-CA 125.63 1.572 . . . . 0.0 113.085 170.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 102.17 0.04 OUTLIER 'General case' 1 C--N 1.483 6.384 0 O-C-N 121.443 -0.785 . . . . 0.0 110.175 172.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.37 98.23 0.01 OUTLIER 'General case' 1 C--N 1.481 6.304 0 CA-C-O 122.824 1.297 . . . . 0.0 110.81 -170.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.33 156.15 0.12 Allowed 'General case' 1 C--N 1.484 6.413 0 CA-C-O 122.644 1.212 . . . . 0.0 112.605 -171.166 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.954 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -54.97 -173.19 0.0 OUTLIER 'General case' 1 C--N 1.483 6.405 0 CA-C-O 121.949 0.88 . . . . 0.0 110.836 173.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.873 ' HB2' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.89 176.5 8.85 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.895 0.855 . . . . 0.0 110.863 -176.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 14.11 7.46 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.321 1.058 . . . . 0.0 111.4 171.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 48' ' ' LEU . 4.2 mt-10 -88.49 -16.56 32.39 Favored 'General case' 1 C--N 1.483 6.4 0 O-C-N 121.273 -0.892 . . . . 0.0 112.831 -170.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.479 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -135.76 24.0 3.37 Favored 'General case' 1 C--N 1.471 5.86 0 CA-C-O 125.443 2.544 . . . . 0.0 107.102 178.725 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.54 153.41 4.68 Favored 'Isoleucine or valine' 1 C--N 1.5 7.121 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.122 -165.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 172.45 7.77 Favored 'General case' 1 C--N 1.476 6.092 0 O-C-N 119.814 -1.804 . . . . 0.0 110.919 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 26.1 m-85 -143.75 132.97 23.1 Favored 'General case' 1 C--N 1.481 6.314 0 CA-C-O 123.006 1.384 . . . . 0.0 111.585 -176.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.63 160.66 39.36 Favored 'General case' 1 C--N 1.481 6.283 0 C-N-CA 124.148 0.979 . . . . 0.0 110.073 -171.478 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -28.72 55.96 Favored 'General case' 1 C--N 1.48 6.27 0 O-C-N 119.381 -2.074 . . . . 0.0 112.884 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 11.0 t-20 -146.12 159.11 43.74 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.1 -1.0 . . . . 0.0 112.054 176.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.898 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.04 -8.88 41.54 Favored 'General case' 1 C--N 1.482 6.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.145 173.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 1.1 p -66.24 -32.48 73.93 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.296 -0.878 . . . . 0.0 110.752 173.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.877 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -70.1 -57.01 5.45 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.441 0.638 . . . . 0.0 111.452 173.507 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -57.25 -16.62 8.83 Favored 'General case' 1 C--N 1.479 6.202 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -49.35 9.81 Favored 'General case' 1 C--N 1.476 6.088 0 O-C-N 120.598 -1.314 . . . . 0.0 109.865 170.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.21 -22.11 4.04 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.712 0.768 . . . . 0.0 111.091 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -71.74 -42.35 67.38 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.682 1.23 . . . . 0.0 109.544 172.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.82 36.05 2.87 Favored Glycine 1 C--N 1.483 8.737 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 173.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.005 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.99 -165.46 1.19 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-N 114.601 -0.8 . . . . 0.0 111.716 -171.182 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.78 ' HD3' ' N ' ' A' ' 68' ' ' PRO . 7.4 tpp85 -97.61 117.74 64.99 Favored Pre-proline 1 C--N 1.479 6.209 0 O-C-N 120.728 -1.232 . . . . 0.0 112.302 178.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.78 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 55.8 Cg_endo -62.3 103.43 0.31 Allowed 'Trans proline' 1 C--N 1.48 7.495 1 C-N-CA 126.963 5.109 . . . . 0.0 114.915 -178.823 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.569 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 t -113.47 96.72 6.04 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.43 -89.64 0.12 Allowed 'General case' 1 C--N 1.495 6.905 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.946 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -68.75 0.24 Allowed 'General case' 1 C--N 1.477 6.141 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 169.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER . . . . . 1 C--N 1.479 6.215 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 169.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.578 0 CA-C-O 121.667 0.746 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -39.38 61.38 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 122.203 1.001 . . . . 0.0 110.95 -178.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -29.42 36.8 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.975 -173.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -68.72 -47.04 67.36 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 122.443 1.116 . . . . 0.0 110.812 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.787 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -41.7 -71.06 0.09 Allowed 'General case' 1 C--N 1.479 6.212 0 CA-C-O 124.028 1.871 . . . . 0.0 113.131 177.308 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.722 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 50.3 t-105 -77.36 -32.12 54.83 Favored 'General case' 1 C--N 1.484 6.417 0 O-C-N 120.678 -1.264 . . . . 0.0 112.905 -168.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.4 -22.29 19.29 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-O 122.204 1.002 . . . . 0.0 109.444 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.787 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 65.9 m -71.45 -44.33 65.01 Favored 'General case' 1 C--N 1.483 6.404 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.707 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -49.98 -56.84 2.83 Favored 'Isoleucine or valine' 1 C--N 1.496 6.944 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.014 171.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 1 C--N 1.476 6.098 0 CA-C-O 123.489 1.614 . . . . 0.0 109.791 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 CA--C 1.506 -0.742 0 CA-C-O 123.064 1.412 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.4 m -136.5 153.57 31.07 Favored 'Isoleucine or valine' 1 C--N 1.486 6.543 0 O-C-N 120.902 -1.124 . . . . 0.0 109.7 -172.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 40' ' ' PRO . 19.0 p90 -135.72 142.33 45.03 Favored 'General case' 1 C--N 1.477 6.115 0 O-C-N 121.059 -1.025 . . . . 0.0 110.083 -172.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -122.14 107.14 11.83 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.378 -0.826 . . . . 0.0 111.3 -175.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.052 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.3 p -84.1 106.62 14.6 Favored 'Isoleucine or valine' 1 C--N 1.479 6.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.061 171.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -80.39 10.28 4.81 Favored 'General case' 1 C--N 1.48 6.243 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 31' ' ' VAL . 8.7 t -91.14 -33.24 15.52 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 120.95 -1.094 . . . . 0.0 110.759 178.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -102.92 2.68 35.52 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 171.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.78 45.62 93.26 Favored Glycine 1 C--N 1.48 8.569 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 174.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.5 pt -132.6 142.7 41.82 Favored 'Isoleucine or valine' 1 C--N 1.481 6.321 0 CA-C-O 122.156 0.979 . . . . 0.0 112.3 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.998 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.1 p90 -116.99 129.85 56.3 Favored 'General case' 1 C--N 1.479 6.209 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 7.1 t -146.15 159.68 42.97 Favored 'General case' 1 C--N 1.475 6.045 0 O-C-N 120.944 -1.097 . . . . 0.0 111.682 -171.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -74.82 114.48 34.98 Favored Pre-proline 1 C--N 1.477 6.139 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 168.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HA ' ' HE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -20.36 79.58 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.091 1 C-N-CA 127.013 5.142 . . . . 0.0 116.406 -177.613 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.19 14.47 0.0 OUTLIER 'General case' 1 C--N 1.489 6.663 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 174.408 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.9 m -44.27 138.41 3.08 Favored 'General case' 1 C--N 1.478 6.152 0 CA-C-N 122.411 2.369 . . . . 0.0 110.413 171.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 72' ' ' CYS . 4.7 mtp180 -95.53 -3.07 47.24 Favored 'General case' 1 C--N 1.479 6.216 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.72 -178.93 3.87 Favored 'General case' 1 C--N 1.477 6.144 0 CA-C-O 122.946 1.355 . . . . 0.0 109.728 170.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 94.07 0.01 OUTLIER 'General case' 1 C--N 1.489 6.671 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.618 172.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -23.69 112.16 0.03 OUTLIER 'General case' 1 C--N 1.477 6.149 0 C-N-CA 124.365 1.066 . . . . 0.0 113.753 -170.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.052 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -40.05 156.65 0.02 OUTLIER 'General case' 1 C--N 1.482 6.339 0 CA-C-O 121.863 0.84 . . . . 0.0 111.043 174.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.641 ' HB3' ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.12 129.48 34.49 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.48 0.657 . . . . 0.0 111.096 -174.662 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -62.97 -15.16 55.02 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.734 0.778 . . . . 0.0 111.602 171.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -86.93 0.62 54.76 Favored 'General case' 1 C--N 1.48 6.273 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.239 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.527 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.26 21.37 2.98 Favored 'General case' 1 C--N 1.47 5.805 0 CA-C-O 125.275 2.464 . . . . 0.0 107.327 171.018 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -100.48 145.29 11.27 Favored 'Isoleucine or valine' 1 C--N 1.497 7.013 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.327 -164.727 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 176.63 5.08 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 120.33 -1.481 . . . . 0.0 110.901 175.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.709 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 97.8 m-85 -140.11 148.87 42.33 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 123.384 1.564 . . . . 0.0 113.111 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.976 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -146.93 161.46 40.7 Favored 'General case' 1 C--N 1.482 6.331 0 C-N-CA 124.728 1.211 . . . . 0.0 109.844 -178.742 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.0 54.08 Favored 'General case' 1 C--N 1.48 6.276 0 O-C-N 119.105 -2.247 . . . . 0.0 113.136 172.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 25.9 t-20 -160.96 162.6 31.98 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.008 -1.057 . . . . 0.0 112.063 178.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -51.17 -21.76 2.19 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-O 121.706 0.765 . . . . 0.0 111.179 175.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -51.62 -56.02 15.95 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.141 0.972 . . . . 0.0 110.984 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.935 ' HG3' ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.82 -41.79 59.26 Favored 'General case' 1 C--N 1.482 6.333 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.263 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -59.03 -23.82 62.29 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 120.812 -1.18 . . . . 0.0 113.573 171.402 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -81.43 -52.65 7.03 Favored 'General case' 1 C--N 1.477 6.135 0 O-C-N 120.633 -1.292 . . . . 0.0 110.57 173.364 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.49 -19.63 3.91 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.534 0.683 . . . . 0.0 110.776 171.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -68.01 -43.77 78.09 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.143 1.449 . . . . 0.0 108.115 171.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 109.74 36.72 1.99 Allowed Glycine 1 C--N 1.486 8.88 0 CA-C-N 113.834 -1.53 . . . . 0.0 109.394 171.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.998 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -105.45 -174.09 2.45 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.709 -0.746 . . . . 0.0 112.472 -171.01 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.912 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 1.4 tpp85 -94.79 118.39 66.78 Favored Pre-proline 1 C--N 1.479 6.203 0 O-C-N 121.134 -0.979 . . . . 0.0 111.232 -172.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.912 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 78.9 Cg_endo -65.84 91.43 0.25 Allowed 'Trans proline' 1 C--N 1.486 7.791 1 C-N-CA 127.771 5.647 . . . . 0.0 119.828 -177.882 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.977 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 37.4 t -103.31 93.92 5.23 Favored 'General case' 1 C--N 1.479 6.239 0 CA-C-O 125.011 2.338 . . . . 0.0 110.215 170.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -122.14 31.41 6.19 Favored 'General case' 1 C--N 1.5 7.123 0 CA-C-O 123.011 1.386 . . . . 0.0 111.371 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.49 47.22 0.0 OUTLIER 'General case' 1 C--N 1.482 6.362 0 CA-C-O 121.927 0.87 . . . . 0.0 109.419 -176.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.534 ' HB3' ' HG3' ' A' ' 43' ' ' ARG 0.397 85.9 m . . . . . 1 C--N 1.477 6.14 1 CA-C-O 131.719 5.533 . . . . 0.0 107.227 -167.29 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 121.941 0.877 . . . . 0.0 111.86 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -22.51 32.92 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 121.772 0.796 . . . . 0.0 111.013 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.39 -41.9 96.42 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.536 0.684 . . . . 0.0 110.985 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -46.46 68.28 Favored 'General case' 1 C--N 1.48 6.244 0 CA-C-O 122.547 1.165 . . . . 0.0 111.111 -178.291 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' CA ' ' HE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -41.01 -68.28 0.19 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 125.195 2.426 . . . . 0.0 112.59 174.616 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.072 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 44.6 t-105 -75.58 -17.52 60.01 Favored 'General case' 1 C--N 1.491 6.732 0 O-C-N 120.432 -1.418 . . . . 0.0 110.686 -170.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -65.56 -32.76 74.53 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.473 1.13 . . . . 0.0 108.911 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.537 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -55.96 -40.05 72.66 Favored 'General case' 1 C--N 1.483 6.379 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.194 170.55 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.253 2.4 t -64.95 -57.91 9.24 Favored 'Isoleucine or valine' 1 C--N 1.499 7.085 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.254 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD21 ' HE1' ' A' ' 13' ' ' TRP . 15.2 mt . . . . . 1 C--N 1.477 6.12 0 O-C-N 119.279 -2.138 . . . . 0.0 112.315 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.505 -0.773 0 CA-C-O 122.136 0.97 . . . . 0.0 112.782 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.737 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -150.84 159.54 4.42 Favored 'Isoleucine or valine' 1 C--N 1.48 6.279 0 O-C-N 121.316 -0.865 . . . . 0.0 111.096 -169.006 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -138.83 132.13 30.05 Favored 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 178.822 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -118.45 107.98 14.47 Favored 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.836 0.827 . . . . 0.0 111.563 -172.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.105 HG21 ' HB1' ' A' ' 47' ' ' ALA . 7.3 p -95.28 96.78 6.08 Favored 'Isoleucine or valine' 1 C--N 1.478 6.196 0 O-C-N 121.913 -0.492 . . . . 0.0 110.407 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -86.15 79.34 9.15 Favored 'General case' 1 C--N 1.48 6.277 0 O-C-N 121.273 -0.892 . . . . 0.0 112.29 -171.413 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.52 -54.21 0.61 Allowed 'General case' 1 C--N 1.478 6.165 0 CA-C-O 121.9 0.857 . . . . 0.0 110.574 173.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.91 3.1 49.74 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 171.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.49 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.38 51.14 6.85 Favored Glycine 1 C--N 1.479 8.504 0 O-C-N 121.364 -0.835 . . . . 0.0 111.566 172.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -131.85 132.67 61.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.238 0 O-C-N 121.458 -1.025 . . . . 0.0 110.913 171.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.128 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.1 p90 -119.96 146.43 45.84 Favored 'General case' 1 C--N 1.477 6.135 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.616 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 7.6 t -156.74 157.92 35.97 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -168.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.33 105.01 2.08 Favored Pre-proline 1 C--N 1.475 6.052 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 166.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -15.36 83.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.023 1 C-N-CA 127.391 5.394 . . . . 0.0 118.17 -176.633 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 26.06 0.0 OUTLIER 'General case' 1 C--N 1.489 6.647 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 172.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.04 118.92 6.87 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-N 122.417 2.371 . . . . 0.0 109.209 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -76.98 -34.02 57.58 Favored 'General case' 1 C--N 1.479 6.224 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -168.322 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -170.88 0.01 OUTLIER 'General case' 1 C--N 1.479 6.205 0 O-C-N 120.567 -1.333 . . . . 0.0 109.34 170.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.6 87.49 0.01 OUTLIER 'General case' 1 C--N 1.488 6.601 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.686 171.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -68.29 155.05 40.54 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.58 1.181 . . . . 0.0 113.288 -170.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.105 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -49.58 147.52 3.43 Favored 'General case' 1 C--N 1.485 6.477 0 CA-C-O 121.795 0.807 . . . . 0.0 111.006 -172.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD22 ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -79.23 159.07 27.47 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.736 0.779 . . . . 0.0 110.627 172.064 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.05 13.16 9.77 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.337 0.589 . . . . 0.0 110.872 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.678 ' OE2' HD22 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -87.88 -25.52 23.22 Favored 'General case' 1 C--N 1.479 6.232 0 O-C-N 121.653 -0.655 . . . . 0.0 112.467 -171.022 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.516 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.28 8.6 p-10 -130.39 18.69 5.33 Favored 'General case' 1 C--N 1.468 5.72 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -172.965 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -98.58 145.45 9.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.473 -163.415 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -116.68 -177.52 3.21 Favored 'General case' 1 C--N 1.477 6.138 0 O-C-N 120.235 -1.54 . . . . 0.0 110.881 173.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.072 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.6 m-85 -150.46 133.03 15.74 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.152 -0.968 . . . . 0.0 112.188 -176.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.881 ' HB3' ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -135.37 154.33 51.53 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 121.714 -0.616 . . . . 0.0 110.261 -179.67 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -17.62 61.4 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.419 -1.425 . . . . 0.0 111.918 -175.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.19 166.6 29.37 Favored 'General case' 1 C--N 1.481 6.319 0 CA-C-O 122.837 1.303 . . . . 0.0 112.296 171.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.81 -54.46 9.79 Favored 'General case' 1 C--N 1.483 6.371 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t -48.52 -19.45 0.33 Allowed 'General case' 1 C--N 1.479 6.227 0 O-C-N 121.067 -1.021 . . . . 0.0 112.862 -170.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.881 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -77.59 -69.04 0.56 Allowed 'General case' 1 C--N 1.477 6.144 0 O-C-N 121.054 -1.028 . . . . 0.0 111.166 171.975 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.821 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -50.25 -15.72 0.26 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -86.88 -44.36 11.74 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 174.804 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -30.36 25.7 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.801 0.81 . . . . 0.0 110.644 171.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.23 89.12 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.875 1.322 . . . . 0.0 108.746 171.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 100.33 46.2 1.88 Allowed Glycine 1 C--N 1.485 8.846 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 171.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.128 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -110.15 -178.14 3.44 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-N 115.089 -0.555 . . . . 0.0 112.15 -171.113 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 98.43 3.57 Favored Pre-proline 1 C--N 1.478 6.185 0 O-C-N 120.936 -1.103 . . . . 0.0 111.242 -171.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.611 ' HD3' ' HE1' ' A' ' 37' ' ' PHE . 54.9 Cg_endo -73.13 103.82 1.67 Allowed 'Trans proline' 1 C--N 1.483 7.624 1 C-N-CA 127.066 5.177 . . . . 0.0 121.415 -177.83 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 38' ' ' CYS 0.26 28.2 p -104.39 93.68 4.93 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 124.191 1.948 . . . . 0.0 108.877 166.241 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 9.7 pttm -65.59 -47.5 75.51 Favored 'General case' 1 C--N 1.496 6.962 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.652 -178.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -78.58 -79.41 0.13 Allowed 'General case' 1 C--N 1.477 6.137 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 168.933 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' CYS . 0.8 OUTLIER . . . . . 1 C--N 1.478 6.167 0 CA-C-O 122.294 1.045 . . . . 0.0 111.009 169.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.237 0.442 0 CA-C-O 122.008 0.908 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -15.87 6.76 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.913 177.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -50.23 41.88 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.793 0.806 . . . . 0.0 110.929 174.598 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -47.94 75.16 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 123.039 1.399 . . . . 0.0 110.521 177.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 12' ' ' ARG . 7.5 mmt85 -42.08 -71.27 0.08 Allowed 'General case' 1 C--N 1.48 6.245 0 CA-C-O 124.491 2.091 . . . . 0.0 113.697 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.639 ' HE1' HD21 ' A' ' 17' ' ' LEU . 59.9 t-105 -78.52 -27.3 46.0 Favored 'General case' 1 C--N 1.485 6.478 0 O-C-N 120.275 -1.516 . . . . 0.0 111.615 -169.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -57.63 -26.06 61.04 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 122.544 1.164 . . . . 0.0 109.041 170.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 t -67.77 -41.88 82.58 Favored 'General case' 1 C--N 1.485 6.481 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.143 172.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.255 2.5 t -59.49 -57.53 11.13 Favored 'Isoleucine or valine' 1 C--N 1.494 6.863 0 CA-C-O 121.964 0.888 . . . . 0.0 112.493 171.694 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD21 ' HE1' ' A' ' 13' ' ' TRP . 40.2 mt . . . . . 1 C--N 1.476 6.096 0 O-C-N 119.291 -2.131 . . . . 0.0 109.867 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 15' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.212 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.969 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -106.49 168.46 2.95 Favored 'Isoleucine or valine' 1 C--N 1.481 6.309 0 O-C-N 120.407 -1.433 . . . . 0.0 110.831 -177.482 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HD2' ' CG2' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -140.17 134.69 31.55 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.777 -0.577 . . . . 0.0 110.282 175.913 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.18 90.76 3.32 Favored 'General case' 1 C--N 1.478 6.195 0 O-C-N 121.309 -0.869 . . . . 0.0 111.287 -171.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.053 HG21 ' HB3' ' A' ' 47' ' ' ALA . 8.6 p -74.73 99.87 1.54 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.179 0 CA-C-O 121.548 0.69 . . . . 0.0 110.155 175.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 10.2 ttm180 -85.87 37.42 0.71 Allowed 'General case' 1 C--N 1.481 6.321 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.3 m -114.32 -38.08 4.19 Favored 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.216 -0.927 . . . . 0.0 110.496 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -97.53 4.14 50.46 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 171.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' HE1' ' A' ' 66' ' ' PHE . . . 62.65 47.69 87.23 Favored Glycine 1 C--N 1.481 8.589 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 172.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.738 HG13 HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -134.03 136.22 53.86 Favored 'Isoleucine or valine' 1 C--N 1.481 6.325 0 CA-C-O 122.371 1.082 . . . . 0.0 112.141 177.426 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.044 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.2 p90 -119.59 125.1 47.97 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.367 172.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.893 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -154.07 161.06 42.18 Favored 'General case' 1 C--N 1.476 6.108 0 O-C-N 120.515 -1.366 . . . . 0.0 111.209 -170.91 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 119.54 77.46 Favored Pre-proline 1 C--N 1.477 6.146 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 170.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -21.26 91.93 0.0 OUTLIER 'Trans proline' 2 C--N 1.475 7.207 1 C-N-CA 127.248 5.299 . . . . 0.0 116.166 -178.216 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -174.53 -21.03 0.01 OUTLIER 'General case' 1 C--N 1.489 6.639 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -36.1 102.42 0.02 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-N 121.057 1.753 . . . . 0.0 112.703 -171.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 2.8 mtt180 -78.36 -0.94 31.0 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.586 -172.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.59 -173.59 0.01 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.941 1.353 . . . . 0.0 110.32 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.9 -27.92 0.02 OUTLIER 'General case' 1 C--N 1.489 6.657 0 CA-C-N 114.084 -1.416 . . . . 0.0 110.457 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 59.19 92.36 0.04 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.45 1.119 . . . . 0.0 110.786 171.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.053 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -60.9 178.47 0.24 Allowed 'General case' 1 C--N 1.483 6.382 0 CA-C-O 121.936 0.874 . . . . 0.0 110.929 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.957 HD13 ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -82.2 166.28 19.74 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.714 0.769 . . . . 0.0 110.761 -173.527 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -84.14 11.04 8.73 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.302 0.572 . . . . 0.0 111.499 174.707 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.957 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.19 -13.86 42.76 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.5 -0.75 . . . . 0.0 112.926 -171.028 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.639 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.273 7.9 p-10 -131.48 15.75 4.95 Favored 'General case' 1 C--N 1.468 5.743 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -174.636 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.737 ' CG2' ' HD2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -96.9 132.33 41.6 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 -162.54 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.9 t -113.62 127.86 56.22 Favored 'General case' 1 C--N 1.478 6.19 0 O-C-N 120.559 -1.338 . . . . 0.0 110.818 -173.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -101.49 138.9 37.89 Favored 'General case' 1 C--N 1.481 6.283 0 CA-C-O 122.954 1.359 . . . . 0.0 112.433 -171.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.0 m-85 -125.85 165.17 19.18 Favored 'General case' 1 C--N 1.479 6.211 0 C-N-CA 124.705 1.202 . . . . 0.0 110.47 174.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.26 43.65 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 119.127 -2.233 . . . . 0.0 112.566 170.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 17.9 t-20 -148.19 157.75 43.68 Favored 'General case' 1 C--N 1.48 6.278 0 O-C-N 120.798 -1.189 . . . . 0.0 111.834 173.09 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.817 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -70.38 0.02 7.35 Favored 'General case' 1 C--N 1.482 6.34 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.833 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.1 t -59.32 -51.15 71.18 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 122.051 0.929 . . . . 0.0 110.796 172.1 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 3.6 pt-20 -72.06 -36.04 69.47 Favored 'General case' 1 C--N 1.482 6.352 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 176.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.936 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -59.74 -41.24 90.51 Favored 'General case' 1 C--N 1.479 6.214 0 O-C-N 120.611 -1.306 . . . . 0.0 113.69 172.277 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -73.67 -51.77 15.56 Favored 'General case' 1 C--N 1.477 6.148 0 O-C-N 121.156 -0.965 . . . . 0.0 110.2 177.839 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.16 -22.13 6.01 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.678 0.752 . . . . 0.0 110.983 171.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.27 -39.41 86.06 Favored 'General case' 1 C--N 1.481 6.29 0 CA-C-O 122.814 1.292 . . . . 0.0 109.162 172.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.43 29.32 4.52 Favored Glycine 1 C--N 1.485 8.834 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 173.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.044 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -101.98 -173.98 2.47 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-N 114.618 -0.791 . . . . 0.0 111.871 -171.775 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.504 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -94.91 98.83 3.54 Favored Pre-proline 1 C--N 1.479 6.239 0 O-C-N 120.343 -1.473 . . . . 0.0 112.195 -171.61 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 71.3 Cg_exo -56.76 109.41 0.44 Allowed 'Trans proline' 1 C--N 1.482 7.603 1 C-N-CA 127.675 5.583 . . . . 0.0 118.859 -178.625 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.78 115.52 24.63 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.463 1.601 . . . . 0.0 110.601 168.753 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -119.78 25.24 10.11 Favored 'General case' 1 C--N 1.489 6.633 0 CA-C-O 122.51 1.148 . . . . 0.0 110.112 170.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -174.52 46.02 0.01 OUTLIER 'General case' 1 C--N 1.481 6.322 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.842 -172.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.265 95.5 m . . . . . 1 C--N 1.482 6.356 1 CA-C-O 131.109 5.242 . . . . 0.0 107.359 -170.255 . . . . . . . . 3 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.786 0.803 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -25.11 66.8 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.859 0.838 . . . . 0.0 110.879 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.22 -46.01 18.71 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.973 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -43.74 58.76 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 122.476 1.131 . . . . 0.0 110.795 -177.124 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -40.54 -70.75 0.1 Allowed 'General case' 1 C--N 1.481 6.289 0 CA-C-O 124.974 2.321 . . . . 0.0 111.801 172.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.788 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 26.3 t-105 -72.23 -28.23 63.03 Favored 'General case' 1 C--N 1.489 6.672 0 O-C-N 120.471 -1.393 . . . . 0.0 111.34 -170.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.32 -35.56 62.81 Favored 'General case' 1 C--N 1.483 6.406 0 CA-C-O 122.209 1.004 . . . . 0.0 109.299 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.567 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 1.2 t -57.96 -41.25 82.5 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.442 171.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.788 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.5 t -59.54 -49.74 82.54 Favored 'Isoleucine or valine' 1 C--N 1.492 6.799 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 172.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 HD21 ' HE1' ' A' ' 13' ' ' TRP . 8.1 mt . . . . . 1 C--N 1.474 6.001 0 CA-C-O 123.827 1.775 . . . . 0.0 109.704 178.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.567 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -105.68 161.58 5.21 Favored 'Isoleucine or valine' 1 C--N 1.482 6.342 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -176.301 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 1.3 p90 -140.4 133.56 29.56 Favored 'General case' 1 C--N 1.483 6.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.354 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.6 102.86 7.82 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 121.368 -0.832 . . . . 0.0 110.937 -172.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.073 HG21 ' HB1' ' A' ' 47' ' ' ALA . 5.5 p -88.81 100.32 10.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.192 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 174.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 41.7 ttp180 -88.23 59.18 5.12 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.464 0.65 . . . . 0.0 112.352 -173.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.33 -45.11 2.35 Favored 'General case' 1 C--N 1.479 6.21 0 O-C-N 120.405 -1.434 . . . . 0.0 110.638 171.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -100.33 -19.07 16.49 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 171.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.9 61.44 1.15 Allowed Glycine 1 C--N 1.48 8.537 0 O-C-N 121.952 -0.468 . . . . 0.0 112.784 172.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -135.03 133.21 53.5 Favored 'Isoleucine or valine' 1 C--N 1.478 6.189 0 O-C-N 121.16 -1.2 . . . . 0.0 110.714 171.411 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.007 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.2 p90 -113.41 115.1 27.55 Favored 'General case' 1 C--N 1.477 6.15 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 53.1 t -135.01 160.77 37.28 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 120.212 -1.555 . . . . 0.0 111.918 -170.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -75.09 107.84 4.57 Favored Pre-proline 1 C--N 1.475 6.051 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 167.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.655 ' HB3' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -17.86 93.04 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.084 1 C-N-CA 126.959 5.106 . . . . 0.0 117.322 -176.738 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 p -168.29 -56.82 0.02 OUTLIER 'General case' 1 C--N 1.49 6.688 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 1.9 m 0.49 82.8 0.0 OUTLIER 'General case' 1 C--N 1.483 6.411 0 CA-C-O 123.931 1.824 . . . . 0.0 113.871 -168.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 0.36 -81.46 0.0 OUTLIER 'General case' 1 C--N 1.485 6.472 0 C-N-CA 126.53 1.932 . . . . 0.0 115.063 171.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.2 179.62 0.1 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 122.673 1.225 . . . . 0.0 110.892 -170.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.81 91.96 0.01 OUTLIER 'General case' 1 C--N 1.487 6.584 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.518 176.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -161.76 0.04 OUTLIER 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.942 0.877 . . . . 0.0 111.557 -171.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.073 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -83.71 166.97 17.62 Favored 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.852 0.834 . . . . 0.0 110.847 -172.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -82.52 157.51 23.52 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 172.234 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HG2' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -75.91 -1.85 27.44 Favored 'General case' 1 C--N 1.482 6.365 0 O-C-N 121.663 -0.648 . . . . 0.0 111.409 175.886 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -24.92 56.74 Favored 'General case' 1 C--N 1.478 6.188 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -169.147 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.802 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.257 5.7 p-10 -131.42 17.75 4.87 Favored 'General case' 1 C--N 1.467 5.71 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -171.915 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.719 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.93 150.0 4.93 Favored 'Isoleucine or valine' 1 C--N 1.478 6.184 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.195 -163.226 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.3 t -129.99 127.88 40.91 Favored 'General case' 1 C--N 1.476 6.092 0 CA-C-N 120.953 1.706 . . . . 0.0 111.98 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -103.19 132.71 49.24 Favored 'General case' 1 C--N 1.483 6.386 0 CA-C-O 122.637 1.208 . . . . 0.0 111.907 -172.076 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.011 ' HB2' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -123.34 164.55 18.6 Favored 'General case' 1 C--N 1.478 6.165 0 C-N-CA 124.373 1.069 . . . . 0.0 110.624 172.682 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.55 -28.76 46.08 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 119.521 -1.987 . . . . 0.0 112.545 170.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.755 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 12.6 t-20 -145.7 147.2 31.69 Favored 'General case' 1 C--N 1.479 6.205 0 O-C-N 121.062 -1.024 . . . . 0.0 111.669 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.07 -36.01 17.31 Favored 'General case' 1 C--N 1.48 6.267 0 O-C-N 121.744 -0.598 . . . . 0.0 111.85 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.49 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.7 m -42.55 -46.88 5.04 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.066 0.936 . . . . 0.0 111.621 -171.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.2 pt-20 -70.67 -39.98 73.24 Favored 'General case' 1 C--N 1.48 6.268 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -60.96 -32.64 72.17 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 120.78 -1.2 . . . . 0.0 113.798 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -76.68 -42.42 41.73 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 120.708 -1.245 . . . . 0.0 110.486 171.744 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . . . -53.83 -26.2 23.14 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.035 0.922 . . . . 0.0 110.413 171.126 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.75 -38.16 83.09 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-O 122.867 1.317 . . . . 0.0 109.234 171.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.47 34.4 3.36 Favored Glycine 1 C--N 1.484 8.796 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 172.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -104.03 -175.01 2.68 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.847 -0.677 . . . . 0.0 112.187 -171.423 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.77 105.84 26.16 Favored Pre-proline 1 C--N 1.48 6.257 0 CA-C-O 122.3 1.048 . . . . 0.0 112.727 -171.804 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 59.8 Cg_exo -50.11 114.54 1.45 Allowed 'Trans proline' 1 C--N 1.483 7.652 1 C-N-CA 126.89 5.06 . . . . 0.0 114.908 179.489 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 12.9 t -125.79 97.68 5.24 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.411 2.053 . . . . 0.0 109.313 171.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -76.45 -92.6 0.03 OUTLIER 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.902 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -69.95 0.15 Allowed 'General case' 1 C--N 1.478 6.154 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 171.024 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER . . . . . 1 C--N 1.479 6.226 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 168.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.75 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.488 0 CA-C-O 121.863 0.839 . . . . 0.0 111.097 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -25.51 23.81 Favored 'General case' 1 C--N 1.48 6.279 0 CA-C-O 121.837 0.827 . . . . 0.0 110.804 172.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -49.35 63.25 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.904 0.859 . . . . 0.0 110.885 -176.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 3.6 mt-30 -63.12 -44.13 96.47 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.505 1.145 . . . . 0.0 110.722 -178.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.92 -73.4 0.05 OUTLIER 'General case' 1 C--N 1.479 6.206 0 CA-C-O 124.757 2.218 . . . . 0.0 112.736 174.059 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.728 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 50.2 t-105 -75.54 -27.53 58.7 Favored 'General case' 1 C--N 1.488 6.598 0 O-C-N 120.354 -1.466 . . . . 0.0 111.338 -169.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.52 -27.16 69.08 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.207 1.003 . . . . 0.0 108.896 170.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.476 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -57.52 -36.97 72.25 Favored 'General case' 1 C--N 1.486 6.505 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.396 170.948 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.684 HG13 ' HB3' ' A' ' 40' ' ' PRO . 1.8 t -73.9 -60.75 2.1 Favored 'Isoleucine or valine' 1 C--N 1.5 7.133 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 171.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HG ' ' NE1' ' A' ' 13' ' ' TRP . 8.8 mt . . . . . 1 C--N 1.477 6.118 0 O-C-N 119.286 -2.134 . . . . 0.0 108.92 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.476 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 10.2 p90 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 121.249 0.547 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.861 HG22 ' HB2' ' A' ' 55' ' ' TYR . 4.2 m -115.12 157.91 15.63 Favored 'Isoleucine or valine' 1 C--N 1.477 6.125 0 O-C-N 120.695 -1.253 . . . . 0.0 109.954 -171.05 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 14.0 p90 -137.88 132.52 32.61 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 119.999 -1.688 . . . . 0.0 110.289 -176.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -114.92 92.66 4.01 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.119 -0.988 . . . . 0.0 111.346 -172.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 47' ' ' ALA . 7.2 p -76.05 101.77 2.7 Favored 'Isoleucine or valine' 1 C--N 1.479 6.211 0 O-C-N 121.719 -0.613 . . . . 0.0 110.805 173.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 90.9 mtt-85 -87.76 44.56 1.2 Allowed 'General case' 1 C--N 1.478 6.188 0 O-C-N 121.708 -0.62 . . . . 0.0 112.61 -173.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.424 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 1.4 m -108.66 -47.85 3.41 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.783 -1.198 . . . . 0.0 110.518 -179.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.6 m -106.66 -17.65 14.17 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.634 0.731 . . . . 0.0 110.679 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 65.02 0.83 Allowed Glycine 1 C--N 1.48 8.536 0 O-C-N 121.914 -0.491 . . . . 0.0 113.18 171.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -135.51 125.94 43.45 Favored 'Isoleucine or valine' 1 C--N 1.48 6.259 0 O-C-N 121.081 -1.247 . . . . 0.0 112.529 171.322 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.894 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -100.16 105.14 16.71 Favored 'General case' 1 C--N 1.477 6.11 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.394 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.783 ' HB2' ' CB ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -124.33 152.27 43.32 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 120.001 -1.687 . . . . 0.0 114.708 -167.837 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.93 107.61 5.16 Favored Pre-proline 1 C--N 1.476 6.084 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 167.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.706 ' HD3' ' HD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -21.04 88.99 0.0 OUTLIER 'Trans proline' 1 C--N 1.473 7.096 1 C-N-CA 127.748 5.632 . . . . 0.0 118.133 -177.448 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.95 17.53 0.0 OUTLIER 'General case' 1 C--N 1.484 6.442 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 171.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.62 103.25 0.06 Allowed 'General case' 1 C--N 1.482 6.348 0 CA-C-N 122.05 2.205 . . . . 0.0 109.675 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.39 -17.29 61.82 Favored 'General case' 1 C--N 1.478 6.155 0 C-N-CA 123.237 0.615 . . . . 0.0 112.634 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.77 -175.57 5.64 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 122.395 1.093 . . . . 0.0 110.087 171.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -53.33 89.41 0.01 OUTLIER 'General case' 1 C--N 1.486 6.523 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.363 172.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.86 -163.91 0.79 Allowed 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.027 0.918 . . . . 0.0 111.989 -171.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -102.03 161.03 13.99 Favored 'General case' 1 C--N 1.481 6.296 0 CA-C-O 121.936 0.874 . . . . 0.0 111.289 -172.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -85.78 159.19 19.81 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.592 0.71 . . . . 0.0 110.827 179.348 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.2 tmm_? -74.18 -5.34 41.26 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.601 0.715 . . . . 0.0 111.686 176.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 2.0 mm-40 -72.65 -24.26 61.01 Favored 'General case' 1 C--N 1.479 6.211 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -168.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.76 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.266 6.9 p-10 -130.36 17.26 5.44 Favored 'General case' 1 C--N 1.467 5.675 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -175.49 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.752 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -97.63 139.04 20.81 Favored 'Isoleucine or valine' 1 C--N 1.479 6.22 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.61 -162.69 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -100.82 172.68 6.91 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.874 -1.141 . . . . 0.0 110.789 175.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.728 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 87.3 m-85 -140.6 138.15 34.19 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-O 122.853 1.311 . . . . 0.0 112.247 177.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.922 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -136.01 163.08 31.11 Favored 'General case' 1 C--N 1.478 6.176 0 C-N-CA 124.426 1.091 . . . . 0.0 110.003 174.299 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.61 56.35 Favored 'General case' 1 C--N 1.48 6.262 0 O-C-N 119.323 -2.111 . . . . 0.0 112.657 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 23.7 t-20 -142.24 150.3 40.75 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.002 0.906 . . . . 0.0 111.62 -176.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -66.47 -19.18 65.72 Favored 'General case' 1 C--N 1.482 6.349 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.45 -31.98 71.95 Favored 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.254 -0.904 . . . . 0.0 110.649 177.956 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -67.43 -58.18 5.22 Favored 'General case' 1 C--N 1.481 6.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.213 173.547 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.922 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -51.17 -25.62 5.62 Favored 'General case' 1 C--N 1.481 6.286 0 O-C-N 121.646 -0.659 . . . . 0.0 112.59 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -77.42 -43.91 30.93 Favored 'General case' 1 C--N 1.478 6.172 0 O-C-N 121.21 -0.931 . . . . 0.0 110.837 173.045 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.94 -34.86 13.71 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.571 0.7 . . . . 0.0 111.47 171.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.81 81.19 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.417 1.103 . . . . 0.0 109.82 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 97.86 36.73 4.66 Favored Glycine 1 C--N 1.484 8.772 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 175.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.894 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.12 -172.13 2.12 Favored 'General case' 1 C--N 1.48 6.243 0 O-C-N 122.329 -0.512 . . . . 0.0 111.901 -171.877 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 2.1 tpt180 -96.2 105.03 19.4 Favored Pre-proline 1 C--N 1.478 6.181 0 O-C-N 120.67 -1.269 . . . . 0.0 111.958 -171.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.593 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 43.9 Cg_endo -60.2 98.27 0.12 Allowed 'Trans proline' 1 C--N 1.481 7.534 1 C-N-CA 127.109 5.206 . . . . 0.0 116.713 -178.85 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.783 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -80.11 101.9 9.03 Favored 'General case' 1 C--N 1.481 6.287 0 O-C-N 120.761 -1.212 . . . . 0.0 110.049 171.085 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.22 -89.45 0.03 OUTLIER 'General case' 1 C--N 1.486 6.502 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.634 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -62.44 -73.23 0.11 Allowed 'General case' 1 C--N 1.477 6.15 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.851 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 1 C--N 1.48 6.247 0 CA-C-O 122.799 1.285 . . . . 0.0 110.667 169.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 1.4 p . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.813 0.815 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -22.31 0.55 Allowed 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.872 0.844 . . . . 0.0 110.722 171.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.21 -54.32 18.59 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.952 0.882 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 2.9 mt-30 -65.88 -36.88 84.65 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 122.739 1.257 . . . . 0.0 110.591 -176.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' SER . 5.7 mmt-85 -45.77 -70.95 0.08 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 125.264 2.459 . . . . 0.0 112.431 171.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.634 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.8 t-105 -71.36 -22.37 61.91 Favored 'General case' 1 C--N 1.494 6.879 0 O-C-N 120.361 -1.462 . . . . 0.0 109.746 -171.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -39.88 83.3 Favored 'General case' 1 C--N 1.483 6.387 0 CA-C-O 121.825 0.822 . . . . 0.0 108.893 170.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.515 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 5.2 m -42.89 -55.48 3.69 Favored 'General case' 1 C--N 1.487 6.555 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.634 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -60.43 -53.61 46.43 Favored 'Isoleucine or valine' 1 C--N 1.495 6.914 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.6 mt . . . . . 1 C--N 1.477 6.119 0 CA-C-O 123.885 1.802 . . . . 0.0 109.603 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HZ ' ' HB2' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.051 HG23 ' HD1' ' A' ' 55' ' ' TYR . 4.9 m -146.41 152.28 13.74 Favored 'Isoleucine or valine' 1 C--N 1.488 6.624 0 O-C-N 121.025 -1.047 . . . . 0.0 109.725 -171.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.964 ' HE1' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -132.24 145.07 51.07 Favored 'General case' 1 C--N 1.476 6.08 0 O-C-N 120.67 -1.269 . . . . 0.0 109.716 -171.938 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.23 100.82 6.24 Favored 'General case' 1 C--N 1.477 6.133 0 CA-C-O 121.846 0.832 . . . . 0.0 110.801 -171.51 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.4 p -86.62 103.15 12.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.882 0.848 . . . . 0.0 110.341 175.172 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.52 23.74 0.5 Allowed 'General case' 1 C--N 1.483 6.393 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.572 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -107.42 -35.19 6.84 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 120.778 -1.201 . . . . 0.0 110.766 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -97.48 -2.89 41.0 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.117 0.484 . . . . 0.0 111.218 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.68 43.65 96.05 Favored Glycine 1 C--N 1.48 8.534 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.3 pt -136.13 141.47 41.49 Favored 'Isoleucine or valine' 1 C--N 1.48 6.272 0 O-C-N 121.602 -0.94 . . . . 0.0 111.733 172.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.124 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.7 p90 -114.93 124.37 51.51 Favored 'General case' 1 C--N 1.478 6.168 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.424 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.964 ' HB3' ' HE1' ' A' ' 29' ' ' PHE . 41.8 t -138.03 162.92 32.86 Favored 'General case' 1 C--N 1.476 6.068 0 O-C-N 120.531 -1.356 . . . . 0.0 112.824 -170.022 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.48 121.79 78.44 Favored Pre-proline 1 C--N 1.475 6.048 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 165.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -18.79 99.9 0.01 OUTLIER 'Trans proline' 2 C--N 1.47 6.944 1 C-N-CA 127.387 5.391 . . . . 0.0 116.693 -177.579 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 p -178.15 -58.32 0.01 OUTLIER 'General case' 1 C--N 1.487 6.548 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m 0.57 90.09 0.01 OUTLIER 'General case' 1 C--N 1.482 6.328 0 CA-C-O 123.967 1.841 . . . . 0.0 114.54 -167.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -17.56 -44.67 0.0 OUTLIER 'General case' 1 C--N 1.487 6.55 0 C-N-CA 126.552 1.941 . . . . 0.0 114.019 170.972 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -178.18 0.03 OUTLIER 'General case' 1 C--N 1.477 6.132 0 CA-C-O 123.396 1.57 . . . . 0.0 111.077 -171.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 2.7 tpm_? -51.78 -12.42 0.2 Allowed 'General case' 1 C--N 1.488 6.61 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.785 -175.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 86.02 151.37 0.07 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 121.976 0.893 . . . . 0.0 111.276 171.049 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -86.2 142.58 28.51 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 -172.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.35 142.77 57.51 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.523 0.677 . . . . 0.0 110.548 172.075 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -78.31 3.83 14.47 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.14 0.495 . . . . 0.0 111.713 175.664 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.22 -15.91 36.84 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.459 -0.776 . . . . 0.0 112.567 -171.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.526 HD21 HG22 ' A' ' 31' ' ' VAL 0.275 8.2 p-10 -132.27 15.43 4.59 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -176.844 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.5 142.63 14.8 Favored 'Isoleucine or valine' 1 C--N 1.48 6.256 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.443 -163.089 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 7.7 t -127.14 139.94 52.61 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.14 -1.6 . . . . 0.0 111.495 -177.359 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.799 ' HE1' ' HB3' ' A' ' 29' ' ' PHE . 2.2 m-85 -109.86 155.64 21.41 Favored 'General case' 1 C--N 1.488 6.602 0 CA-C-O 123.246 1.498 . . . . 0.0 113.468 -170.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.051 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -149.23 158.42 44.17 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.941 -179.793 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -19.51 59.14 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 120.128 -1.608 . . . . 0.0 112.16 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 174.77 14.08 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.088 -1.008 . . . . 0.0 111.464 171.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -63.72 -47.77 79.75 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.51 -177.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -52.3 -14.94 0.51 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.366 0.603 . . . . 0.0 111.392 -171.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.889 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -80.52 -63.05 1.49 Allowed 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.539 0.685 . . . . 0.0 111.484 172.882 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -49.43 -13.84 0.09 Allowed 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.693 -0.63 . . . . 0.0 112.165 172.377 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -84.13 -49.17 9.11 Favored 'General case' 1 C--N 1.478 6.169 0 O-C-N 121.091 -1.006 . . . . 0.0 110.476 171.764 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.38 5.36 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.531 0.681 . . . . 0.0 111.313 171.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.35 75.29 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 122.826 1.298 . . . . 0.0 109.446 172.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.12 25.15 6.23 Favored Glycine 1 C--N 1.484 8.756 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 172.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.124 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -89.35 -172.97 3.82 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-N 114.911 -0.645 . . . . 0.0 112.037 -171.802 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.17 111.48 56.61 Favored Pre-proline 1 C--N 1.479 6.198 0 O-C-N 121.044 -1.035 . . . . 0.0 111.752 -172.216 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 82.8 Cg_exo -54.28 107.22 0.2 Allowed 'Trans proline' 1 C--N 1.483 7.606 1 C-N-CA 127.123 5.215 . . . . 0.0 115.324 -178.993 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 7.6 t -115.63 95.35 5.1 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.585 2.136 . . . . 0.0 109.849 171.315 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -76.88 -91.9 0.03 OUTLIER 'General case' 1 C--N 1.498 7.026 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.392 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.47 ' H ' ' HG2' ' A' ' 71' ' ' ARG . 4.4 mmt85 -58.85 -70.16 0.16 Allowed 'General case' 1 C--N 1.479 6.211 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 170.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 1 C--N 1.478 6.166 0 CA-C-O 123.86 1.791 . . . . 0.0 110.181 169.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.709 0.766 . . . . 0.0 111.119 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.66 ' N ' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -78.1 -24.56 47.49 Favored 'General case' 1 C--N 1.48 6.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.783 -172.461 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.25 -62.76 1.26 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.245 1.021 . . . . 0.0 110.936 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -48.78 -40.18 27.95 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.595 1.188 . . . . 0.0 110.446 -179.976 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -48.47 -77.67 0.02 OUTLIER 'General case' 1 C--N 1.48 6.253 0 CA-C-O 123.468 1.604 . . . . 0.0 113.07 178.425 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.879 ' HA ' HG23 ' A' ' 16' ' ' VAL . 25.7 t-105 -73.0 -30.68 63.96 Favored 'General case' 1 C--N 1.486 6.531 0 O-C-N 120.774 -1.203 . . . . 0.0 110.973 -170.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.58 -35.51 60.9 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 121.983 0.897 . . . . 0.0 109.938 171.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.709 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.35 -42.59 82.28 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 171.791 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.879 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.0 t -54.8 -52.58 41.05 Favored 'Isoleucine or valine' 1 C--N 1.489 6.655 0 CA-C-O 121.436 0.636 . . . . 0.0 112.703 172.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.694 HD21 ' HE1' ' A' ' 13' ' ' TRP . 21.5 mt . . . . . 1 C--N 1.476 6.084 0 CA-C-O 123.527 1.632 . . . . 0.0 110.861 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.138 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.928 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -104.24 168.83 2.32 Favored 'Isoleucine or valine' 1 C--N 1.483 6.376 0 O-C-N 120.431 -1.418 . . . . 0.0 111.045 -178.094 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.89 140.66 36.51 Favored 'General case' 1 C--N 1.481 6.304 0 O-C-N 121.746 -0.597 . . . . 0.0 110.235 172.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -129.41 98.61 4.92 Favored 'General case' 1 C--N 1.478 6.179 0 CA-C-O 122.147 0.975 . . . . 0.0 111.471 -171.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 ' CB ' ' A' ' 47' ' ' ALA . 13.1 p -88.57 97.34 6.74 Favored 'Isoleucine or valine' 1 C--N 1.481 6.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.801 177.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.39 79.94 8.84 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.702 0.763 . . . . 0.0 111.405 -172.486 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -134.42 -53.2 0.83 Allowed 'General case' 1 C--N 1.478 6.187 0 CA-C-O 122.442 1.115 . . . . 0.0 110.006 173.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -97.88 -15.25 20.28 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.858 0.837 . . . . 0.0 110.436 170.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.64 66.16 1.1 Allowed Glycine 1 C--N 1.48 8.551 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 172.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.62 132.81 51.65 Favored 'Isoleucine or valine' 1 C--N 1.48 6.243 0 O-C-N 121.564 -0.962 . . . . 0.0 111.549 174.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.031 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 6.0 p90 -114.3 110.3 19.71 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.559 -0.713 . . . . 0.0 109.263 171.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.566 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.5 t -125.37 162.31 25.07 Favored 'General case' 1 C--N 1.477 6.122 0 O-C-N 120.002 -1.686 . . . . 0.0 112.286 -170.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 114.11 27.65 Favored Pre-proline 1 C--N 1.475 6.038 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 167.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -13.76 61.09 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 127.78 5.653 . . . . 0.0 120.075 -175.943 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 119.98 0.05 OUTLIER 'General case' 1 C--N 1.484 6.455 0 O-C-N 121.656 -0.653 . . . . 0.0 112.329 171.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 31.8 m -138.05 128.42 26.22 Favored 'General case' 1 C--N 1.478 6.175 0 O-C-N 120.604 -1.31 . . . . 0.0 109.785 168.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 43' ' ' ARG . 3.1 mtt-85 -72.27 -14.95 61.9 Favored 'General case' 1 C--N 1.478 6.155 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.54 -174.06 0.5 Allowed 'General case' 1 C--N 1.477 6.135 0 CA-C-O 122.498 1.142 . . . . 0.0 109.597 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -45.74 94.64 0.01 OUTLIER 'General case' 1 C--N 1.487 6.576 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.991 171.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -43.67 111.83 0.32 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.935 0.874 . . . . 0.0 111.722 -170.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.784 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -32.48 109.15 0.06 Allowed 'General case' 1 C--N 1.481 6.312 0 CA-C-O 121.87 0.843 . . . . 0.0 112.079 173.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.824 ' CD1' ' HG2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -51.5 137.74 23.57 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.798 0.809 . . . . 0.0 110.943 172.249 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 3.0 ttt-85 -74.44 -4.35 36.12 Favored 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.217 0.532 . . . . 0.0 111.678 176.453 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.824 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 4.6 pt-20 -82.56 -9.95 59.19 Favored 'General case' 1 C--N 1.478 6.177 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.728 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.27 7.7 p-10 -133.22 18.74 4.04 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 178.7 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.34 150.45 4.57 Favored 'Isoleucine or valine' 1 C--N 1.479 6.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.421 -163.331 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ALA . 33.1 t -132.52 137.42 47.15 Favored 'General case' 1 C--N 1.477 6.136 0 O-C-N 120.234 -1.541 . . . . 0.0 111.949 177.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.655 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 2.4 m-85 -106.21 135.96 46.77 Favored 'General case' 1 C--N 1.483 6.407 0 CA-C-O 123.242 1.496 . . . . 0.0 111.819 -172.576 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.928 ' HB2' HG23 ' A' ' 28' ' ' VAL . 1.4 m-85 -123.99 167.86 13.6 Favored 'General case' 1 C--N 1.477 6.137 0 C-N-CA 125.362 1.465 . . . . 0.0 110.141 172.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.51 -26.34 32.62 Favored 'General case' 1 C--N 1.48 6.249 0 O-C-N 118.339 -2.726 . . . . 0.0 112.876 170.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 9.7 t-20 -145.59 157.93 43.91 Favored 'General case' 1 C--N 1.48 6.239 0 O-C-N 120.878 -1.139 . . . . 0.0 112.494 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -67.01 -16.4 64.34 Favored 'General case' 1 C--N 1.483 6.401 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.547 173.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -60.72 -36.31 78.53 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.183 -0.948 . . . . 0.0 110.694 173.06 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.66 -57.79 3.85 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.547 0.689 . . . . 0.0 111.725 178.389 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.574 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -56.38 -27.26 55.72 Favored 'General case' 1 C--N 1.481 6.299 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -75.37 -48.65 21.98 Favored 'General case' 1 C--N 1.477 6.141 0 O-C-N 120.9 -1.125 . . . . 0.0 110.42 172.091 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.88 -24.21 5.94 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.671 0.748 . . . . 0.0 111.075 171.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.35 -40.21 77.65 Favored 'General case' 1 C--N 1.481 6.288 0 CA-C-O 122.67 1.224 . . . . 0.0 109.531 172.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.26 30.62 4.66 Favored Glycine 1 C--N 1.485 8.815 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 173.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.031 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -97.65 -168.84 1.74 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-N 114.906 -0.647 . . . . 0.0 111.49 -171.931 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.588 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -95.81 108.0 37.65 Favored Pre-proline 1 C--N 1.479 6.196 0 O-C-N 120.585 -1.322 . . . . 0.0 111.72 -176.63 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.588 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 27.5 Cg_endo -56.85 104.7 0.15 Allowed 'Trans proline' 1 C--N 1.48 7.458 1 C-N-CA 127.45 5.433 . . . . 0.0 114.691 -179.243 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.566 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -113.58 100.35 8.43 Favored 'General case' 1 C--N 1.477 6.15 0 CA-C-O 124.077 1.894 . . . . 0.0 109.698 -177.473 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -86.54 0.2 Allowed 'General case' 1 C--N 1.495 6.921 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.222 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -59.05 -71.14 0.13 Allowed 'General case' 1 C--N 1.477 6.144 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 170.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER . . . . . 1 C--N 1.48 6.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.933 168.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.751 0.786 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.74 -30.1 71.17 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.754 0.788 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.27 -56.51 7.35 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.036 0.922 . . . . 0.0 110.917 -176.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 2.8 pt20 -57.54 -47.95 80.62 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 122.463 1.125 . . . . 0.0 111.052 -177.188 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -40.68 -72.91 0.05 Allowed 'General case' 1 C--N 1.48 6.251 0 CA-C-O 123.915 1.817 . . . . 0.0 112.367 175.696 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.081 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 54.7 t-105 -76.23 -23.46 54.55 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 120.713 -1.242 . . . . 0.0 111.541 -169.235 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.75 -32.71 71.99 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.46 1.124 . . . . 0.0 108.727 170.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.759 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 60.4 m -61.45 -33.34 73.57 Favored 'General case' 1 C--N 1.483 6.398 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.214 171.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.956 HG23 ' HA ' ' A' ' 13' ' ' TRP 0.272 1.3 t -67.06 -65.42 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.492 6.762 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.023 171.274 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HE1' ' A' ' 13' ' ' TRP . 32.2 mt . . . . . 1 C--N 1.476 6.066 0 O-C-N 119.01 -2.307 . . . . 0.0 109.996 -171.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.506 -0.735 0 CA-C-O 123.355 1.55 . . . . 0.0 112.864 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.942 HG22 ' HB2' ' A' ' 55' ' ' TYR . 2.3 m -141.4 157.42 21.76 Favored 'Isoleucine or valine' 1 C--N 1.487 6.58 0 O-C-N 120.993 -1.067 . . . . 0.0 110.452 -169.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -139.91 136.85 34.31 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 120.849 -1.157 . . . . 0.0 110.21 -178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.645 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -122.63 111.33 16.63 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.18 -0.95 . . . . 0.0 111.106 -172.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.074 HG21 ' HB3' ' A' ' 47' ' ' ALA . 6.8 p -95.8 110.18 23.91 Favored 'Isoleucine or valine' 1 C--N 1.479 6.212 0 CA-C-O 121.304 0.574 . . . . 0.0 110.487 175.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.8 ptt180 -84.83 26.97 0.78 Allowed 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.478 -0.764 . . . . 0.0 112.824 -171.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 2.1 m -106.89 -38.52 6.04 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 121.113 -0.992 . . . . 0.0 110.285 -178.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.4 m -101.4 -9.47 21.09 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.878 171.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.95 51.04 11.13 Favored Glycine 1 C--N 1.479 8.521 0 O-C-N 121.549 -0.719 . . . . 0.0 112.277 171.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.2 pt -135.86 141.1 42.87 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.433 -1.04 . . . . 0.0 110.574 171.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.029 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -111.09 104.8 13.38 Favored 'General case' 1 C--N 1.478 6.18 0 O-C-N 120.657 -1.277 . . . . 0.0 109.344 171.993 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 37.1 t -122.67 168.08 12.64 Favored 'General case' 1 C--N 1.478 6.157 0 O-C-N 119.698 -1.876 . . . . 0.0 110.775 -169.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.0 175.27 3.18 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 122.758 1.266 . . . . 0.0 108.066 166.812 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' O ' HG13 ' A' ' 16' ' ' VAL . 61.2 Cg_exo -14.47 -31.5 0.0 OUTLIER 'Trans proline' 1 C--N 1.474 7.163 2 C-N-CA 128.916 6.411 . . . . 0.0 122.578 -178.205 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 t -164.61 160.28 19.95 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-N 122.002 2.183 . . . . 0.0 113.963 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 36' ' ' ILE . 21.4 m -127.89 132.17 49.36 Favored 'General case' 1 C--N 1.49 6.683 0 O-C-N 121.074 -1.016 . . . . 0.0 109.252 170.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -75.27 5.72 5.24 Favored 'General case' 1 C--N 1.475 6.049 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.637 -171.951 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.18 -176.35 5.65 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.648 1.213 . . . . 0.0 110.146 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -42.09 1.06 Allowed 'General case' 1 C--N 1.486 6.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.859 174.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 55.96 173.73 0.03 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.797 0.808 . . . . 0.0 111.08 -177.407 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.074 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -131.98 175.08 9.53 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 122.134 0.969 . . . . 0.0 111.694 -171.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.047 HD22 ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -86.69 178.58 6.99 Favored 'General case' 1 C--N 1.481 6.293 0 CA-C-O 122.203 1.002 . . . . 0.0 111.747 -172.035 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.8 ptm180 -88.02 15.38 7.39 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.691 0.758 . . . . 0.0 111.521 175.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.047 ' CG ' HD22 ' A' ' 48' ' ' LEU . 6.5 mm-40 -86.24 -22.47 26.86 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.805 -0.56 . . . . 0.0 112.358 -171.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.546 HD21 HG22 ' A' ' 31' ' ' VAL 0.288 9.5 p-10 -132.77 18.1 4.24 Favored 'General case' 1 C--N 1.469 5.776 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -176.417 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -94.87 165.16 1.99 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.083 -162.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.58 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 27.1 t -126.22 172.11 10.34 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.428 -1.42 . . . . 0.0 111.173 172.027 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.081 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.4 m-85 -141.24 149.05 40.84 Favored 'General case' 1 C--N 1.482 6.358 0 CA-C-O 122.707 1.242 . . . . 0.0 112.106 174.112 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.942 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.68 160.36 43.65 Favored 'General case' 1 C--N 1.481 6.296 0 C-N-CA 123.743 0.817 . . . . 0.0 109.927 -178.182 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.13 -25.51 39.86 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 119.646 -1.909 . . . . 0.0 112.004 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.785 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 12.9 t-20 -143.33 159.5 42.24 Favored 'General case' 1 C--N 1.479 6.219 0 O-C-N 121.291 -0.88 . . . . 0.0 111.143 174.361 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.701 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -65.69 -30.78 71.51 Favored 'General case' 1 C--N 1.482 6.327 0 O-C-N 121.455 -0.778 . . . . 0.0 112.172 176.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.785 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -48.66 -32.12 7.83 Favored 'General case' 1 C--N 1.479 6.211 0 O-C-N 121.245 -0.909 . . . . 0.0 111.186 176.258 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.86 ' CG ' ' HD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -73.66 -64.74 0.93 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.724 0.773 . . . . 0.0 111.445 -179.471 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.937 ' CB ' ' HD2' ' A' ' 37' ' ' PHE . . . -52.31 -12.92 0.29 Allowed 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.542 -0.724 . . . . 0.0 112.241 172.038 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.677 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -83.49 -42.56 16.74 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.787 -1.196 . . . . 0.0 110.438 171.533 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.42 -26.16 7.52 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 122.164 0.983 . . . . 0.0 110.233 171.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.24 -40.58 70.95 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.699 1.238 . . . . 0.0 109.724 171.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 102.6 40.21 2.59 Favored Glycine 1 C--N 1.483 8.703 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 172.585 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -97.86 -173.12 2.53 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -171.248 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 0.5 OUTLIER -97.44 108.41 44.75 Favored Pre-proline 1 C--N 1.478 6.189 0 CA-C-O 122.449 1.118 . . . . 0.0 113.444 -170.982 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.1 Cg_exo -42.1 110.13 0.14 Allowed 'Trans proline' 1 C--N 1.485 7.737 1 C-N-CA 127.468 5.445 . . . . 0.0 117.1 179.499 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.567 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -131.06 91.36 3.03 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 125.193 2.425 . . . . 0.0 109.518 171.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -85.78 -79.05 0.25 Allowed 'General case' 1 C--N 1.499 7.081 0 CA-C-N 114.125 -1.398 . . . . 0.0 109.905 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -71.81 0.17 Allowed 'General case' 1 C--N 1.477 6.119 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 169.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER . . . . . 1 C--N 1.479 6.228 0 CA-C-O 122.158 0.98 . . . . 0.0 110.736 168.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.728 HG23 HH11 ' A' ' 12' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.802 0.81 . . . . 0.0 111.369 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.82 -38.72 92.13 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.544 0.688 . . . . 0.0 111.476 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -38.25 52.98 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.448 0.642 . . . . 0.0 111.469 -172.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.806 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.1 -51.2 68.89 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 123.15 1.452 . . . . 0.0 110.753 172.212 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.806 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -40.91 -59.29 1.47 Allowed 'General case' 1 C--N 1.482 6.344 0 CA-C-O 125.233 2.444 . . . . 0.0 111.942 171.751 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.941 ' HA ' HG23 ' A' ' 16' ' ' VAL . 61.5 t-105 -78.19 -27.27 47.88 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-N 114.074 -1.421 . . . . 0.0 113.292 -167.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.65 -23.85 60.01 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 122.507 1.146 . . . . 0.0 109.066 170.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.743 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 59.9 m -70.07 -42.98 72.1 Favored 'General case' 1 C--N 1.483 6.399 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.826 171.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -56.23 -55.06 20.77 Favored 'Isoleucine or valine' 1 C--N 1.489 6.646 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 172.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HE1' ' A' ' 13' ' ' TRP . 12.5 mt . . . . . 1 C--N 1.475 6.063 0 O-C-N 119.773 -1.829 . . . . 0.0 109.408 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 . . . . . 0 CA--C 1.507 -0.696 0 CA-C-O 123.372 1.558 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 55' ' ' TYR . 12.6 m -141.5 155.32 20.49 Favored 'Isoleucine or valine' 1 C--N 1.481 6.298 0 C-N-CA 124.989 1.316 . . . . 0.0 109.415 -169.175 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.028 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -135.88 135.92 40.11 Favored 'General case' 1 C--N 1.477 6.133 0 O-C-N 119.726 -1.859 . . . . 0.0 109.071 -171.742 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.19 102.43 6.93 Favored 'General case' 1 C--N 1.478 6.174 0 O-C-N 121.011 -1.055 . . . . 0.0 111.474 -171.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.53 104.25 15.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.208 0 CA-C-O 121.689 0.757 . . . . 0.0 110.406 175.164 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -86.0 31.79 0.62 Allowed 'General case' 1 C--N 1.481 6.302 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -171.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.741 HG22 HG23 ' A' ' 31' ' ' VAL . 12.4 t -102.27 -41.77 6.25 Favored 'General case' 1 C--N 1.478 6.168 0 O-C-N 121.135 -0.978 . . . . 0.0 111.191 177.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -100.44 -23.18 14.8 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 122.146 0.974 . . . . 0.0 110.691 172.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.34 56.92 1.41 Allowed Glycine 1 C--N 1.482 8.656 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 171.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -135.24 134.73 52.63 Favored 'Isoleucine or valine' 1 C--N 1.481 6.29 0 O-C-N 120.633 -1.51 . . . . 0.0 112.089 170.672 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.871 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.3 p90 -102.39 94.07 5.5 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 27.4 t -115.95 165.02 13.58 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 120.123 -1.611 . . . . 0.0 111.399 -170.147 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.72 153.63 94.77 Favored Pre-proline 1 C--N 1.475 6.036 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 165.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -14.63 145.23 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.916 1 C-N-CA 127.277 5.318 . . . . 0.0 118.875 -176.908 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.638 ' OG ' HG12 ' A' ' 16' ' ' VAL . 69.7 m 2.72 114.84 0.0 OUTLIER 'General case' 1 C--N 1.487 6.578 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 93.2 m -68.54 156.18 38.52 Favored 'General case' 1 C--N 1.491 6.76 0 CA-C-O 122.665 1.221 . . . . 0.0 109.254 169.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -10.32 18.82 Favored 'General case' 1 C--N 1.477 6.115 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.318 -171.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.02 -174.57 4.93 Favored 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.594 1.187 . . . . 0.0 109.612 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.73 95.99 0.01 OUTLIER 'General case' 1 C--N 1.488 6.599 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.116 172.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 151.83 20.02 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.097 0.951 . . . . 0.0 112.046 -171.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.006 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -100.31 165.61 11.38 Favored 'General case' 1 C--N 1.481 6.326 0 CA-C-O 121.833 0.825 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 171.94 11.4 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.977 0.894 . . . . 0.0 110.853 -173.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -69.02 -13.26 62.35 Favored 'General case' 1 C--N 1.482 6.35 0 CA-C-O 121.458 0.646 . . . . 0.0 111.964 172.261 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -87.93 10.93 17.15 Favored 'General case' 1 C--N 1.482 6.341 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -170.778 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' OD1' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -136.92 17.38 3.03 Favored 'General case' 1 C--N 1.469 5.777 0 CA-C-O 124.373 2.035 . . . . 0.0 107.473 171.628 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.01 150.82 6.97 Favored 'Isoleucine or valine' 1 C--N 1.496 6.966 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.819 -164.84 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ALA . 32.0 t -134.1 138.31 45.18 Favored 'General case' 1 C--N 1.476 6.104 0 O-C-N 119.884 -1.76 . . . . 0.0 110.575 171.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.028 ' CE1' ' HB2' ' A' ' 29' ' ' PHE . 20.6 m-85 -120.37 140.45 51.29 Favored 'General case' 1 C--N 1.484 6.453 0 O-C-N 120.375 -1.453 . . . . 0.0 114.601 -170.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.889 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -138.07 156.58 47.64 Favored 'General case' 1 C--N 1.488 6.6 0 O-C-N 121.014 -1.054 . . . . 0.0 110.559 -171.827 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.55 78.63 Favored 'General case' 1 C--N 1.484 6.421 0 O-C-N 119.932 -1.73 . . . . 0.0 113.941 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 2.4 t-20 -152.3 158.66 43.09 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.972 -1.08 . . . . 0.0 112.223 -174.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.5 68.43 Favored 'General case' 1 C--N 1.483 6.385 0 CA-C-O 121.387 0.613 . . . . 0.0 111.617 -173.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.497 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 4.1 m -59.66 -34.34 72.71 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.761 0.791 . . . . 0.0 110.85 -174.665 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.676 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -65.86 -55.38 17.34 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.582 0.706 . . . . 0.0 111.286 177.009 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -55.77 -28.55 56.58 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.83 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -72.54 -40.69 66.53 Favored 'General case' 1 C--N 1.477 6.114 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 171.692 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -56.5 -29.07 61.4 Favored 'General case' 1 C--N 1.478 6.172 0 CA-C-O 121.753 0.787 . . . . 0.0 110.98 171.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -68.73 -33.14 73.43 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.305 1.05 . . . . 0.0 110.05 173.26 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.57 32.73 6.16 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 176.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.871 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -103.43 -173.24 2.27 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 122.319 -0.518 . . . . 0.0 111.958 -171.942 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -96.47 119.28 64.37 Favored Pre-proline 1 C--N 1.479 6.237 0 O-C-N 120.91 -1.119 . . . . 0.0 112.1 -173.018 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -61.66 97.76 0.15 Allowed 'Trans proline' 1 C--N 1.481 7.526 1 C-N-CA 126.857 5.038 . . . . 0.0 115.16 -179.009 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.592 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.3 t -109.69 101.13 10.05 Favored 'General case' 1 C--N 1.478 6.161 0 CA-C-O 124.83 2.252 . . . . 0.0 109.815 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -77.65 0.42 Allowed 'General case' 1 C--N 1.497 7.017 0 O-C-N 120.534 -1.354 . . . . 0.0 110.409 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.678 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.3 -71.9 0.13 Allowed 'General case' 1 C--N 1.477 6.112 0 CA-C-O 122.764 1.269 . . . . 0.0 107.805 170.376 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--N 1.479 6.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.532 168.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.758 0.789 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -107.74 -64.88 1.16 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.892 0.853 . . . . 0.0 110.976 176.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 136.76 51.47 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.852 0.834 . . . . 0.0 110.934 178.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.24 -90.9 0.0 OUTLIER 'General case' 1 C--N 1.48 6.268 0 CA-C-O 121.735 0.779 . . . . 0.0 110.977 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -110.74 -171.3 1.8 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.735 0.779 . . . . 0.0 110.931 172.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' CB ' ' NH2' ' A' ' 12' ' ' ARG . 42.5 m -41.12 154.25 0.04 OUTLIER 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.678 0.752 . . . . 0.0 110.951 174.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.76 -79.4 0.1 Allowed 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.623 0.725 . . . . 0.0 111.352 -172.174 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -150.68 154.53 37.61 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.97 0.891 . . . . 0.0 111.608 -172.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -20.96 2.23 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 121.714 0.769 . . . . 0.0 110.803 172.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -40.92 62.99 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.346 0.593 . . . . 0.0 111.094 -176.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' OE1' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -61.6 -48.2 81.98 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 122.536 1.16 . . . . 0.0 110.613 174.282 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.785 ' O ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.34 -73.45 0.05 OUTLIER 'General case' 1 C--N 1.479 6.239 0 CA-C-O 124.701 2.191 . . . . 0.0 112.655 171.968 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.876 ' HA ' HG23 ' A' ' 16' ' ' VAL . 26.0 t-105 -68.8 -25.57 64.76 Favored 'General case' 1 C--N 1.489 6.669 0 O-C-N 120.53 -1.356 . . . . 0.0 111.089 -169.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -41.04 78.35 Favored 'General case' 1 C--N 1.482 6.364 0 CA-C-O 122.076 0.941 . . . . 0.0 109.414 171.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.785 ' HB3' ' O ' ' A' ' 12' ' ' ARG . 9.9 t -49.5 -38.29 29.76 Favored 'General case' 1 C--N 1.483 6.375 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.18 171.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.4 t -65.22 -57.36 11.35 Favored 'Isoleucine or valine' 1 C--N 1.492 6.791 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 ' HE1' ' A' ' 13' ' ' TRP . 10.3 mt -44.72 -46.06 10.19 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 119.914 -1.741 . . . . 0.0 109.768 -171.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.68 -96.14 0.0 OUTLIER 'General case' 1 C--N 1.488 6.616 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.088 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 179.53 -85.57 0.0 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 122.915 1.34 . . . . 0.0 110.965 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.68 148.48 95.02 Favored Pre-proline 1 C--N 1.484 6.456 0 CA-C-O 121.911 0.862 . . . . 0.0 111.049 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 10.4 Cg_endo -48.75 104.18 0.07 OUTLIER 'Trans proline' 1 C--N 1.477 7.341 1 C-N-CA 126.662 4.908 . . . . 0.0 113.899 179.036 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.07 -55.9 3.56 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 122.62 1.2 . . . . 0.0 110.475 -171.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HB2' ' OE1' ' A' ' 11' ' ' GLN . . . -91.17 -85.16 0.24 Allowed 'General case' 1 C--N 1.482 6.33 0 CA-C-O 122.209 1.004 . . . . 0.0 110.918 172.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.667 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 84.2 m-20 -86.31 97.94 10.69 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.93 0.872 . . . . 0.0 110.93 -171.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.555 ' HA2' ' HB2' ' A' ' 21' ' ' PRO . . . -52.61 -17.91 4.96 Favored Glycine 1 C--N 1.479 8.505 0 O-C-N 121.331 -0.856 . . . . 0.0 112.784 -171.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.91 3.53 8.75 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 120.913 -1.345 . . . . 0.0 113.611 -171.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.667 ' HD1' ' O ' ' A' ' 24' ' ' ASP . 16.2 p90 -70.64 151.5 44.9 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 120.859 -1.15 . . . . 0.0 110.467 -172.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.131 HG23 ' CD1' ' A' ' 55' ' ' TYR . 34.5 m -122.52 152.44 26.85 Favored 'Isoleucine or valine' 1 C--N 1.477 6.119 0 O-C-N 120.87 -1.144 . . . . 0.0 109.767 -170.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' HD1' HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -135.05 132.79 38.66 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.55 -1.344 . . . . 0.0 110.489 -171.761 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.28 99.51 6.74 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.705 0.764 . . . . 0.0 110.729 -172.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -90.98 110.27 22.1 Favored 'Isoleucine or valine' 1 C--N 1.478 6.18 0 CA-C-O 121.583 0.706 . . . . 0.0 110.5 173.025 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 tpt85 -82.12 19.2 1.2 Allowed 'General case' 1 C--N 1.48 6.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.401 HG22 ' CB ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -100.27 -33.59 10.35 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.105 -0.997 . . . . 0.0 110.786 176.66 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.862 HG22 HG23 ' A' ' 36' ' ' ILE . 16.6 m -97.15 -3.48 40.98 Favored 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.94 -0.475 . . . . 0.0 111.193 172.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.12 42.34 97.04 Favored Glycine 1 C--N 1.479 8.508 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 34' ' ' THR . 1.0 OUTLIER -129.28 130.55 67.76 Favored 'Isoleucine or valine' 1 C--N 1.483 6.388 0 CA-C-O 122.398 1.094 . . . . 0.0 112.505 174.713 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.977 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -107.87 109.34 20.84 Favored 'General case' 1 C--N 1.479 6.196 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 169.921 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.013 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -139.51 163.51 32.35 Favored 'General case' 1 C--N 1.477 6.112 0 O-C-N 120.246 -1.534 . . . . 0.0 110.863 -169.595 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -74.9 140.99 74.6 Favored Pre-proline 1 C--N 1.479 6.231 0 CA-C-O 122.252 1.025 . . . . 0.0 109.386 175.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -11.5 -37.33 0.0 OUTLIER 'Trans proline' 1 C--N 1.475 7.22 2 C-N-CA 129.499 6.799 . . . . 0.0 124.518 -177.39 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t -98.89 43.39 1.06 Allowed 'General case' 1 C--N 1.477 6.136 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -72.01 103.18 3.16 Favored 'General case' 1 C--N 1.492 6.795 0 O-C-N 120.612 -1.305 . . . . 0.0 109.234 171.653 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.08 -52.48 7.35 Favored 'General case' 1 C--N 1.481 6.294 0 C-N-CA 123.588 0.755 . . . . 0.0 112.445 -171.136 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.06 143.69 0.16 Allowed 'General case' 1 C--N 1.478 6.183 0 CA-C-O 122.192 0.996 . . . . 0.0 110.222 173.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.59 95.98 0.01 OUTLIER 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.804 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -96.68 135.96 37.87 Favored 'General case' 1 C--N 1.482 6.337 0 CA-C-O 121.746 0.784 . . . . 0.0 110.875 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.957 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -48.82 172.48 0.02 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.917 0.865 . . . . 0.0 110.831 174.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.847 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.32 -172.59 4.23 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 122.753 1.263 . . . . 0.0 111.78 -171.758 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 7.2 ttm180 -88.43 18.53 4.44 Favored 'General case' 1 C--N 1.481 6.307 0 CA-C-O 122.122 0.963 . . . . 0.0 110.778 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.847 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.18 -23.2 24.88 Favored 'General case' 1 C--N 1.481 6.319 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -171.083 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.683 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.46 24.85 2.92 Favored 'General case' 1 C--N 1.471 5.876 0 CA-C-O 125.306 2.479 . . . . 0.0 107.19 -175.017 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.714 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -99.14 142.14 15.44 Favored 'Isoleucine or valine' 1 C--N 1.498 7.054 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.679 -165.309 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.9 t -127.82 124.54 37.84 Favored 'General case' 1 C--N 1.477 6.109 0 O-C-N 120.472 -1.392 . . . . 0.0 111.648 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' CE1' HG13 ' A' ' 52' ' ' VAL . 11.3 m-85 -102.13 149.84 23.86 Favored 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.392 1.091 . . . . 0.0 112.315 -171.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.131 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -144.08 162.82 35.29 Favored 'General case' 1 C--N 1.478 6.189 0 C-N-CA 123.271 0.629 . . . . 0.0 110.494 177.85 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.62 -41.35 65.62 Favored 'General case' 1 C--N 1.482 6.329 0 O-C-N 119.343 -2.098 . . . . 0.0 112.155 172.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.535 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 21.4 t-20 -131.82 152.07 51.24 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.362 -0.837 . . . . 0.0 111.107 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.742 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.17 -13.73 62.45 Favored 'General case' 1 C--N 1.48 6.254 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.535 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 5.1 t -60.65 -28.32 68.49 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.245 -0.909 . . . . 0.0 110.668 177.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.832 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.49 -64.53 0.88 Allowed 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.549 0.69 . . . . 0.0 111.654 173.689 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -51.28 -24.39 4.46 Favored 'General case' 1 C--N 1.481 6.319 0 O-C-N 121.421 -0.799 . . . . 0.0 112.516 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' CD2' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.62 -48.37 19.34 Favored 'General case' 1 C--N 1.477 6.149 0 O-C-N 121.216 -0.928 . . . . 0.0 110.378 171.994 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.46 -22.76 2.05 Favored 'General case' 1 C--N 1.478 6.178 0 CA-C-O 121.856 0.836 . . . . 0.0 110.763 171.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.67 -42.85 67.0 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 122.586 1.184 . . . . 0.0 109.834 172.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.02 36.71 2.48 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 175.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.977 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -106.26 -172.64 2.12 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-N 115.093 -0.554 . . . . 0.0 112.006 -171.584 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.16 102.46 10.9 Favored Pre-proline 1 C--N 1.479 6.235 0 O-C-N 120.875 -1.14 . . . . 0.0 112.441 -171.912 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.815 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 32.3 Cg_exo -63.05 95.73 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.408 1 C-N-CA 127.471 5.447 . . . . 0.0 115.53 -179.483 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 1.013 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -99.39 114.64 27.67 Favored 'General case' 1 C--N 1.483 6.393 0 CA-C-O 123.751 1.738 . . . . 0.0 113.125 170.487 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -120.75 26.13 9.29 Favored 'General case' 1 C--N 1.491 6.72 0 CA-C-O 122.791 1.281 . . . . 0.0 110.219 170.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -158.77 40.8 0.24 Allowed 'General case' 1 C--N 1.481 6.304 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.449 -172.759 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' A' ' 42' ' ' CYS 0.353 95.6 m 6.42 55.29 0.0 OUTLIER 'General case' 1 C--N 1.484 6.434 1 CA-C-O 130.983 5.183 . . . . 0.0 108.619 -170.694 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ARG . 35.0 tt0 -41.33 99.14 0.2 Allowed Pre-proline 1 C--N 1.521 8.051 0 CA-C-N 109.583 -3.462 . . . . 0.0 114.331 170.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 25.5 Cg_exo -66.58 169.3 14.59 Favored 'Trans proline' 1 C--N 1.479 7.404 1 C-N-CA 126.658 4.906 . . . . 0.0 113.447 178.67 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 17.6 t0 167.94 95.37 0.0 OUTLIER 'General case' 1 C--N 1.478 6.176 0 CA-C-O 121.714 0.769 . . . . 0.0 111.495 172.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -123.42 119.1 29.02 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 121.405 0.622 . . . . 0.0 110.641 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 0.35 75.36 0.0 OUTLIER 'General case' 1 C--N 1.477 6.124 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 -171.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 52.61 85.21 0.19 Allowed Pre-proline 1 C--N 1.481 6.313 0 CA-C-O 121.994 0.902 . . . . 0.0 110.769 -171.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -58.81 -46.94 20.34 Favored 'Trans proline' 1 C--N 1.478 7.395 1 C-N-CA 126.474 4.782 . . . . 0.0 115.005 -179.26 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -62.36 -64.92 0.78 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.74 0.781 . . . . 0.0 110.949 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -46.93 -86.05 0.0 OUTLIER 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.837 0.827 . . . . 0.0 111.242 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -81.12 -171.51 3.27 Favored 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.766 0.793 . . . . 0.0 111.032 -172.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -175.49 -96.76 0.0 OUTLIER 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.752 0.787 . . . . 0.0 110.978 -178.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 50.21 91.9 0.02 OUTLIER 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.785 0.802 . . . . 0.0 111.039 -172.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.21 -38.59 66.03 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.766 0.793 . . . . 0.0 111.027 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -117.88 -165.53 1.11 Allowed 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.729 0.776 . . . . 0.0 110.998 175.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.49 31.52 1.64 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.171 0 CA-C-O 121.77 0.795 . . . . 0.0 110.99 -179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.3 m -112.36 69.07 0.68 Allowed 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.783 0.802 . . . . 0.0 110.996 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.61 114.44 13.53 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.736 0.779 . . . . 0.0 111.015 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.25 -42.86 0.33 Allowed 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.756 0.789 . . . . 0.0 110.945 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.2 m -124.45 -168.88 1.87 Allowed 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.755 0.788 . . . . 0.0 110.959 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.7 ttm-85 . . . . . 1 C--N 1.479 6.235 0 CA-C-O 121.999 0.904 . . . . 0.0 111.021 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 11.6 mtm . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.843 0.83 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 59.89 175.13 0.09 Allowed 'General case' 1 C--N 1.481 6.294 0 CA-C-O 121.889 0.852 . . . . 0.0 110.992 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -102.31 73.38 1.34 Allowed 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.819 0.818 . . . . 0.0 110.974 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.93 162.85 1.68 Allowed 'General case' 1 C--N 1.48 6.25 0 CA-C-O 121.716 0.769 . . . . 0.0 110.96 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -138.68 -149.36 0.29 Allowed 'General case' 1 C--N 1.478 6.174 0 CA-C-O 121.22 0.533 . . . . 0.0 110.796 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.7 p -68.09 -18.68 64.73 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.336 -0.852 . . . . 0.0 111.394 -174.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.67 21.76 2.11 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.393 -0.817 . . . . 0.0 111.863 -173.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.92 -66.7 0.47 Allowed 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.335 -0.853 . . . . 0.0 111.184 -176.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.11 -33.32 63.55 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.579 0.704 . . . . 0.0 111.374 -172.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -73.43 -51.69 16.36 Favored 'General case' 1 C--N 1.48 6.273 0 CA-C-O 121.953 0.883 . . . . 0.0 110.843 -175.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.43 -42.36 87.14 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 122.293 1.044 . . . . 0.0 110.759 177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.8 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.6 -76.72 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 123.631 1.681 . . . . 0.0 112.885 173.25 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.827 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 22.6 t-105 -72.0 -32.02 66.8 Favored 'General case' 1 C--N 1.487 6.544 0 O-C-N 120.743 -1.223 . . . . 0.0 111.418 -170.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -55.57 -32.2 62.82 Favored 'General case' 1 C--N 1.481 6.302 0 CA-C-O 121.965 0.888 . . . . 0.0 109.791 171.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.8 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.7 m -58.02 -41.87 84.06 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.36 171.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.827 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 16.6 t -49.97 -55.93 4.48 Favored 'Isoleucine or valine' 1 C--N 1.494 6.885 0 C-N-CA 119.594 -0.842 . . . . 0.0 111.099 171.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD21 ' NE1' ' A' ' 13' ' ' TRP . 11.8 mt -49.73 -41.9 44.82 Favored 'General case' 1 C--N 1.476 6.076 0 CA-C-O 123.463 1.601 . . . . 0.0 109.871 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.27 51.18 2.17 Favored 'General case' 1 C--N 1.486 6.535 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.651 175.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -54.62 -12.78 0.81 Allowed 'General case' 1 C--N 1.479 6.21 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -171.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HB3' ' HD3' ' A' ' 21' ' ' PRO . 4.9 t70 -75.28 -68.68 0.28 Allowed Pre-proline 1 C--N 1.477 6.127 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -170.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 52.8 Cg_endo -81.58 -95.41 0.0 OUTLIER 'Trans proline' 1 C--N 1.485 7.762 2 N-CA-C 126.154 5.405 . . . . 0.0 126.154 -177.219 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.41 ' ND2' ' HG3' ' A' ' 26' ' ' GLU 0.379 0.7 OUTLIER -98.83 62.27 1.33 Allowed 'General case' 1 C--N 1.483 6.379 0 CA-C-O 125.687 2.66 . . . . 0.0 105.396 -167.493 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 15' ' ' SER . . . -153.82 -38.97 0.1 Allowed 'General case' 1 C--N 1.485 6.481 0 CA-C-N 110.934 -2.848 . . . . 0.0 111.054 -176.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.93 -100.65 0.0 OUTLIER 'General case' 1 C--N 1.478 6.166 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -176.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.637 ' HA2' ' HD2' ' A' ' 39' ' ' ARG . . . -82.24 16.71 21.72 Favored Glycine 1 C--N 1.484 8.796 0 O-C-N 120.827 -1.171 . . . . 0.0 113.352 -169.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 10.4 mm-40 -87.5 -12.71 45.13 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 121.535 -0.979 . . . . 0.0 110.977 171.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -173.29 178.5 2.4 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.102 0.954 . . . . 0.0 111.431 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.121 HG23 ' HD1' ' A' ' 55' ' ' TYR . 17.6 m -143.74 151.7 16.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.25 -0.906 . . . . 0.0 109.346 -170.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -134.16 143.45 47.92 Favored 'General case' 1 C--N 1.476 6.094 0 O-C-N 120.991 -1.068 . . . . 0.0 110.567 -175.046 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -128.01 97.14 4.69 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.775 0.798 . . . . 0.0 111.044 -172.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.745 ' HB ' HG23 ' A' ' 52' ' ' VAL . 8.4 p -91.42 111.44 23.9 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-O 121.11 0.481 . . . . 0.0 110.594 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -84.26 29.22 0.59 Allowed 'General case' 1 C--N 1.481 6.307 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 -171.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -100.56 -35.01 9.67 Favored 'General case' 1 C--N 1.478 6.17 0 O-C-N 121.056 -1.027 . . . . 0.0 110.939 174.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 36' ' ' ILE . 10.3 m -110.92 16.91 20.99 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-O 121.404 0.621 . . . . 0.0 111.236 172.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 48.76 36.51 19.31 Favored Glycine 1 C--N 1.479 8.497 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 174.42 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 34' ' ' THR . 1.1 pt -122.74 135.35 63.1 Favored 'Isoleucine or valine' 1 C--N 1.482 6.336 0 CA-C-O 122.56 1.172 . . . . 0.0 112.005 174.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.957 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -114.01 127.76 56.09 Favored 'General case' 1 C--N 1.478 6.158 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 171.257 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 43.4 t -139.39 156.32 47.06 Favored 'General case' 1 C--N 1.477 6.125 0 O-C-N 120.736 -1.227 . . . . 0.0 113.951 -169.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.637 ' HD2' ' HA2' ' A' ' 25' ' ' GLY . 16.3 ttp180 -76.28 113.37 27.8 Favored Pre-proline 1 C--N 1.477 6.111 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 167.114 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -15.97 82.48 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 126.251 4.634 . . . . 0.0 114.403 -177.63 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 t -152.48 -34.33 0.13 Allowed 'General case' 1 C--N 1.491 6.747 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -56.14 100.03 0.04 OUTLIER 'General case' 1 C--N 1.487 6.586 0 CA-C-O 122.444 1.116 . . . . 0.0 109.182 -171.637 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -68.48 -41.28 80.34 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -169.636 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.73 177.39 0.42 Allowed 'General case' 1 C--N 1.478 6.159 0 CA-C-O 122.637 1.208 . . . . 0.0 110.183 -171.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -50.69 -27.32 6.8 Favored 'General case' 1 C--N 1.487 6.557 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.224 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CE1' HG11 ' A' ' 31' ' ' VAL . 1.4 t60 40.48 -96.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.514 0.673 . . . . 0.0 112.159 171.691 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -165.14 158.2 16.41 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.816 0.817 . . . . 0.0 111.076 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -75.13 168.67 19.52 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.041 0.924 . . . . 0.0 111.158 179.677 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -84.35 8.84 14.78 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.817 0.818 . . . . 0.0 111.033 171.913 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.88 ' HB2' HD22 ' A' ' 48' ' ' LEU . 1.0 OUTLIER -86.56 -1.18 57.43 Favored 'General case' 1 C--N 1.481 6.312 0 O-C-N 121.053 -1.029 . . . . 0.0 113.704 -170.378 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.459 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -139.14 23.98 2.55 Favored 'General case' 1 C--N 1.471 5.853 0 CA-C-O 125.593 2.616 . . . . 0.0 107.374 171.687 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -100.71 142.8 15.09 Favored 'Isoleucine or valine' 1 C--N 1.502 7.207 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.785 -165.317 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 21.2 t -105.16 173.2 6.41 Favored 'General case' 1 C--N 1.478 6.152 0 O-C-N 120.464 -1.398 . . . . 0.0 110.886 172.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 21.1 m-85 -135.99 153.96 51.23 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 121.309 -0.87 . . . . 0.0 111.938 174.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.121 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.66 155.75 39.0 Favored 'General case' 1 C--N 1.481 6.315 0 O-C-N 121.652 -0.655 . . . . 0.0 111.001 172.869 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.35 75.76 Favored 'General case' 1 C--N 1.481 6.311 0 O-C-N 120.638 -1.289 . . . . 0.0 112.061 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.662 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 22.7 t-20 -143.82 152.6 41.41 Favored 'General case' 1 C--N 1.48 6.244 0 O-C-N 121.254 -0.904 . . . . 0.0 111.396 174.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -61.61 -20.12 62.99 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 121.236 0.541 . . . . 0.0 111.704 -177.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.662 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -48.33 -47.2 37.08 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.903 0.859 . . . . 0.0 110.741 177.371 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.763 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -70.94 -47.53 58.5 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.864 -176.874 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.81 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -50.82 -29.05 10.69 Favored 'General case' 1 C--N 1.481 6.296 0 O-C-N 120.983 -1.073 . . . . 0.0 112.29 172.167 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -75.65 -43.29 48.36 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 121.353 -0.842 . . . . 0.0 110.555 173.926 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.61 -24.14 20.08 Favored 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.934 0.873 . . . . 0.0 110.282 171.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.18 -39.28 86.41 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.899 1.333 . . . . 0.0 108.947 171.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.36 24.9 6.9 Favored Glycine 1 C--N 1.484 8.77 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 172.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.957 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -94.08 -173.43 3.11 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-N 114.895 -0.652 . . . . 0.0 112.142 -171.783 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -96.75 115.8 65.83 Favored Pre-proline 1 C--N 1.48 6.254 0 O-C-N 120.862 -1.149 . . . . 0.0 112.652 -171.736 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 67' ' ' ARG . 36.1 Cg_endo -59.21 104.16 0.2 Allowed 'Trans proline' 1 C--N 1.482 7.568 1 C-N-CA 126.84 5.027 . . . . 0.0 115.179 -179.071 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 17.3 t -106.34 104.0 13.6 Favored 'General case' 1 C--N 1.477 6.142 0 CA-C-O 124.056 1.884 . . . . 0.0 110.078 171.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.46 -80.23 0.33 Allowed 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.328 -171.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 ttp85 -62.12 -74.29 0.09 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 171.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.68 76.47 0.01 OUTLIER 'General case' 1 C--N 1.478 6.18 0 CA-C-O 122.485 1.136 . . . . 0.0 110.893 168.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 144.76 0.47 Allowed Pre-proline 1 C--N 1.474 5.999 0 CA-C-O 122.263 1.03 . . . . 0.0 111.999 175.128 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -52.04 -72.67 0.04 OUTLIER 'Trans proline' 1 C--N 1.482 7.556 1 C-N-CA 126.789 4.992 . . . . 0.0 115.224 -179.248 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.63 -73.55 0.01 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.096 0.95 . . . . 0.0 111.624 -171.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -121.74 133.0 54.93 Favored 'General case' 1 C--N 1.481 6.285 0 CA-C-O 122.027 0.918 . . . . 0.0 110.781 -171.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -13.45 81.75 0.0 OUTLIER 'General case' 1 C--N 1.479 6.196 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.7 t30 39.15 87.86 0.11 Allowed Pre-proline 1 C--N 1.479 6.224 0 CA-C-O 122.058 0.933 . . . . 0.0 113.075 171.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -66.87 -169.64 0.19 Allowed 'Trans proline' 1 C--N 1.479 7.402 1 C-N-CA 126.255 4.637 . . . . 0.0 114.022 178.952 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.49 171.13 18.03 Favored 'General case' 1 C--N 1.477 6.127 0 CA-C-O 121.783 0.802 . . . . 0.0 110.893 -174.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 171.04 155.04 0.06 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.652 0.739 . . . . 0.0 110.82 -172.079 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 -160.21 1.01 Allowed 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.781 0.8 . . . . 0.0 110.986 177.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.97 111.28 1.42 Allowed 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.746 0.784 . . . . 0.0 110.958 177.132 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.53 170.23 0.22 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.737 0.779 . . . . 0.0 110.953 177.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 82.23 98.22 0.05 OUTLIER 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.799 0.809 . . . . 0.0 111.006 173.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 43.23 2.75 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.725 0.774 . . . . 0.0 110.917 173.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 tt -98.7 146.84 7.56 Favored 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.766 0.793 . . . . 0.0 110.96 176.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -125.69 72.43 1.28 Allowed 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.764 0.792 . . . . 0.0 110.995 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -135.05 103.52 5.59 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.761 0.791 . . . . 0.0 110.986 -174.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.93 -39.66 0.02 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.826 0.822 . . . . 0.0 110.97 -174.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m 66.78 -90.62 0.03 OUTLIER 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.765 0.793 . . . . 0.0 110.893 175.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 1 C--N 1.48 6.24 0 CA-C-O 121.976 0.893 . . . . 0.0 111.002 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.859 0 CA-C-O 121.066 0.46 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -119.35 -54.71 2.18 Favored 'General case' 1 C--N 1.478 6.186 0 O-C-N 121.342 -0.849 . . . . 0.0 110.992 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -58.86 101.12 0.08 Allowed 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.728 0.775 . . . . 0.0 110.95 176.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.5 119.01 16.11 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.796 0.808 . . . . 0.0 111.019 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -122.37 -30.9 3.89 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.618 0.723 . . . . 0.0 111.267 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.3 t -75.55 -113.55 0.01 OUTLIER 'General case' 1 C--N 1.479 6.212 0 O-C-N 121.718 -0.614 . . . . 0.0 110.839 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -85.74 99.69 11.51 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 121.102 -0.999 . . . . 0.0 110.944 -173.329 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -146.66 -79.13 0.16 Allowed 'General case' 1 C--N 1.48 6.241 0 CA-C-O 121.42 0.629 . . . . 0.0 111.12 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -37.7 62.3 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.813 0.815 . . . . 0.0 110.682 174.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -47.57 -75.09 0.03 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.951 0.882 . . . . 0.0 110.638 172.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -45.59 -42.59 11.35 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.958 0.885 . . . . 0.0 111.237 -174.909 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mtm-85 -54.64 -78.69 0.02 OUTLIER 'General case' 1 C--N 1.478 6.16 0 CA-C-O 124.067 1.889 . . . . 0.0 113.046 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.864 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.6 t-105 -68.17 -25.57 65.32 Favored 'General case' 1 C--N 1.49 6.675 0 O-C-N 120.606 -1.309 . . . . 0.0 110.102 -170.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.67 -41.65 86.65 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 122.087 0.946 . . . . 0.0 109.567 171.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.884 ' HB2' ' HB3' ' A' ' 23' ' ' ALA . 10.2 t -45.52 -38.35 6.25 Favored 'General case' 1 C--N 1.484 6.423 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.574 171.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.5 t -68.15 -56.32 13.17 Favored 'Isoleucine or valine' 1 C--N 1.494 6.855 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 171.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.0 mt -44.25 -44.28 7.86 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.043 -1.661 . . . . 0.0 110.252 -171.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 -99.81 0.0 OUTLIER 'General case' 1 C--N 1.488 6.618 0 CA-C-N 114.814 -1.084 . . . . 0.0 113.321 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.52 -93.74 0.0 OUTLIER 'General case' 1 C--N 1.48 6.269 0 CA-C-O 122.107 0.956 . . . . 0.0 111.423 -171.078 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.38 150.84 68.18 Favored Pre-proline 1 C--N 1.481 6.286 0 CA-C-O 121.801 0.81 . . . . 0.0 110.696 173.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -28.49 80.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.477 7.294 1 C-N-CA 126.583 4.855 . . . . 0.0 114.949 179.73 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -40.23 20.17 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.78 0.8 . . . . 0.0 110.878 173.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.884 ' HB3' ' HB2' ' A' ' 15' ' ' SER . . . -148.41 21.59 1.06 Allowed 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.58 0.705 . . . . 0.0 111.234 178.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.481 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 49.8 m-20 -48.49 -82.61 0.01 OUTLIER 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.925 0.869 . . . . 0.0 110.814 172.167 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.66 -81.4 1.59 Allowed Glycine 1 C--N 1.479 8.526 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -150.98 16.38 0.75 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.287 0.565 . . . . 0.0 110.834 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' CG ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -84.49 150.82 25.01 Favored 'General case' 1 C--N 1.481 6.309 0 O-C-N 121.048 -1.032 . . . . 0.0 111.994 -171.429 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.937 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.3 m -128.52 155.41 40.29 Favored 'Isoleucine or valine' 1 C--N 1.478 6.188 0 O-C-N 121.009 -1.057 . . . . 0.0 110.098 -170.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -137.88 136.13 36.81 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.76 -1.212 . . . . 0.0 110.371 -171.304 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.54 ' HB2' ' OH ' ' A' ' 55' ' ' TYR . . . -119.46 101.77 8.18 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.117 -0.99 . . . . 0.0 112.083 -174.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 47' ' ' ALA . 9.6 p -86.13 91.9 3.42 Favored 'Isoleucine or valine' 1 C--N 1.476 6.104 0 CA-C-O 121.423 0.63 . . . . 0.0 109.604 171.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.17 31.47 0.56 Allowed 'General case' 1 C--N 1.482 6.361 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -169.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.484 ' HB ' ' ND2' ' A' ' 51' ' ' ASN . 11.4 t -101.46 -42.69 6.17 Favored 'General case' 1 C--N 1.478 6.182 0 O-C-N 120.761 -1.212 . . . . 0.0 109.846 -179.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.9 m -96.31 -14.48 22.55 Favored 'General case' 1 C--N 1.48 6.259 0 CA-C-O 122.247 1.022 . . . . 0.0 110.058 170.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 67' ' ' ARG . . . 84.5 61.38 1.8 Allowed Glycine 1 C--N 1.481 8.618 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.661 171.069 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.478 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.4 pt -140.48 137.32 36.47 Favored 'Isoleucine or valine' 1 C--N 1.478 6.162 0 O-C-N 120.871 -1.37 . . . . 0.0 111.582 169.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.973 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -105.78 108.73 20.39 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 121.552 -0.718 . . . . 0.0 109.135 170.815 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 42.3 t -122.5 156.83 33.31 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 120.029 -1.67 . . . . 0.0 112.748 -170.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.99 118.78 73.63 Favored Pre-proline 1 C--N 1.476 6.067 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 167.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.563 ' CG ' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -17.35 90.13 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.007 1 C-N-CA 127.046 5.164 . . . . 0.0 115.685 -177.65 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -161.33 -80.59 0.04 OUTLIER 'General case' 1 C--N 1.488 6.621 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -171.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -0.35 90.79 0.01 OUTLIER 'General case' 1 C--N 1.482 6.37 0 C-N-CA 125.73 1.612 . . . . 0.0 113.483 -168.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -72.03 3.58 4.27 Favored 'General case' 1 C--N 1.487 6.567 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.815 -171.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 46' ' ' HIS . . . -56.76 -170.9 0.0 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 123.057 1.408 . . . . 0.0 109.829 171.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -19.5 0.03 OUTLIER 'General case' 1 C--N 1.488 6.604 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.488 172.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 44' ' ' ALA . 6.9 t-160 90.81 132.96 0.03 OUTLIER 'General case' 1 C--N 1.478 6.165 0 CA-C-O 122.273 1.035 . . . . 0.0 112.422 170.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -68.21 121.28 15.88 Favored 'General case' 1 C--N 1.483 6.411 0 CA-C-O 121.879 0.847 . . . . 0.0 110.958 177.378 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.503 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.14 157.7 4.53 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.807 0.813 . . . . 0.0 111.049 -179.556 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -85.99 12.0 10.34 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.598 0.713 . . . . 0.0 111.073 171.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.9 -25.12 23.4 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.681 -0.637 . . . . 0.0 112.338 -171.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.285 8.2 p-10 -131.53 18.68 4.77 Favored 'General case' 1 C--N 1.469 5.766 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -176.274 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -97.9 145.3 9.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.225 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.387 -163.64 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.53 171.65 7.39 Favored 'General case' 1 C--N 1.477 6.151 0 O-C-N 120.421 -1.425 . . . . 0.0 110.893 172.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.864 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 53.0 m-85 -138.1 149.59 46.09 Favored 'General case' 1 C--N 1.483 6.4 0 CA-C-O 122.674 1.226 . . . . 0.0 112.295 176.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.937 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -146.81 157.46 43.67 Favored 'General case' 1 C--N 1.482 6.334 0 C-N-CA 123.853 0.861 . . . . 0.0 109.972 -176.748 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.36 -27.01 32.41 Favored 'General case' 1 C--N 1.479 6.203 0 O-C-N 119.874 -1.766 . . . . 0.0 112.572 174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.495 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 5.5 t-20 -145.94 153.58 40.97 Favored 'General case' 1 C--N 1.48 6.259 0 O-C-N 121.155 -0.966 . . . . 0.0 111.599 175.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' CA ' HG11 ' A' ' 28' ' ' VAL . . . -60.48 -33.44 72.58 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.651 -174.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.495 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 19.6 m -43.7 -33.85 1.35 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 122.001 0.905 . . . . 0.0 110.978 -174.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -67.15 -56.24 10.77 Favored 'General case' 1 C--N 1.481 6.318 0 CA-C-O 121.454 0.645 . . . . 0.0 111.295 -179.708 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -56.01 -30.0 61.19 Favored 'General case' 1 C--N 1.48 6.279 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.022 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 63' ' ' ALA . 2.7 pp -78.86 -41.85 28.89 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 121.032 -1.042 . . . . 0.0 110.522 171.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.64 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -52.02 -23.55 5.36 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.895 0.855 . . . . 0.0 110.628 171.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -73.82 -41.55 62.16 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.612 1.196 . . . . 0.0 109.557 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 112.73 33.92 1.97 Allowed Glycine 1 C--N 1.482 8.68 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 173.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.973 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -102.38 -163.3 0.99 Allowed 'General case' 1 C--N 1.48 6.263 0 CA-C-N 114.731 -0.735 . . . . 0.0 111.688 -171.542 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.539 ' NH1' ' HD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -108.57 131.05 22.02 Favored Pre-proline 1 C--N 1.484 6.431 0 O-C-N 120.333 -1.48 . . . . 0.0 110.168 170.368 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 20.4 Cg_endo -83.41 62.67 7.41 Favored 'Trans proline' 1 C--N 1.477 7.317 1 C-N-CA 126.321 4.681 . . . . 0.0 114.097 -179.418 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 16.8 t -41.63 100.51 0.02 OUTLIER 'General case' 1 C--N 1.482 6.345 0 CA-C-O 124.412 2.053 . . . . 0.0 109.791 171.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -79.5 0.34 Allowed 'General case' 1 C--N 1.496 6.953 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.128 -171.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -75.04 0.08 Allowed 'General case' 1 C--N 1.477 6.142 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.51 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 0.8 OUTLIER 178.15 53.58 0.0 OUTLIER 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.821 1.296 . . . . 0.0 110.751 168.433 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.47 94.45 0.08 OUTLIER Pre-proline 1 C--N 1.475 6.025 0 CA-C-N 115.047 -0.978 . . . . 0.0 113.41 173.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.611 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 17.3 Cg_endo -86.73 -163.2 0.17 Allowed 'Trans proline' 1 C--N 1.479 7.401 1 C-N-CA 126.754 4.97 . . . . 0.0 113.792 178.636 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.611 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 24.0 m-20 92.34 98.34 0.02 OUTLIER 'General case' 1 C--N 1.491 6.719 0 CA-C-O 121.869 0.842 . . . . 0.0 111.32 171.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -122.57 -87.9 0.63 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.399 0.618 . . . . 0.0 110.529 171.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -23.16 -56.62 0.03 OUTLIER 'General case' 1 C--N 1.477 6.117 0 CA-C-O 121.934 0.873 . . . . 0.0 113.244 171.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -145.58 119.74 5.48 Favored Pre-proline 1 C--N 1.48 6.27 0 CA-C-O 121.892 0.853 . . . . 0.0 110.947 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.587 ' HA ' ' HB3' ' A' ' 75' ' ' ASP . 89.7 Cg_endo -72.34 -27.6 16.04 Favored 'Trans proline' 1 C--N 1.479 7.419 1 C-N-CA 126.361 4.707 . . . . 0.0 115.565 -179.374 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 72.3 19.21 4.44 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.734 0.778 . . . . 0.0 110.969 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 70.99 -168.15 0.15 Allowed 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.698 0.761 . . . . 0.0 111.012 -172.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -99.49 -82.98 0.43 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.629 0.728 . . . . 0.0 110.988 -172.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -149.93 18.26 0.88 Allowed 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.732 0.777 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.06 98.87 12.02 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.766 0.794 . . . . 0.0 110.95 -174.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -135.01 55.17 1.9 Allowed 'General case' 1 C--N 1.479 6.203 0 CA-C-O 122.195 0.998 . . . . 0.0 110.928 -177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 -177.17 0.19 Allowed 'General case' 1 C--N 1.482 6.346 0 CA-C-O 121.863 0.84 . . . . 0.0 111.008 -177.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -152.34 145.99 15.42 Favored 'Isoleucine or valine' 1 C--N 1.479 6.236 0 CA-C-O 121.76 0.791 . . . . 0.0 110.984 -176.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.5 m -116.69 151.15 36.94 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.715 0.769 . . . . 0.0 111.01 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -102.18 129.38 48.54 Favored 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.72 0.772 . . . . 0.0 111.079 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.91 -96.85 0.04 OUTLIER 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.763 0.792 . . . . 0.0 110.992 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 73.84 162.23 0.26 Allowed 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.731 0.777 . . . . 0.0 110.93 -173.056 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 1 C--N 1.478 6.189 0 CA-C-O 122.035 0.922 . . . . 0.0 111.027 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.709 0.766 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.27 122.2 17.77 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.747 0.784 . . . . 0.0 111.0 176.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.8 -166.35 1.89 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.758 0.789 . . . . 0.0 110.98 176.126 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.2 -20.7 51.32 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.525 0.678 . . . . 0.0 111.26 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 57.57 0.73 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.826 0.822 . . . . 0.0 111.134 -172.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 t -86.0 20.98 2.08 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.438 0.637 . . . . 0.0 111.46 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.21 101.45 0.16 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.847 0.832 . . . . 0.0 110.926 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.45 169.52 8.47 Favored 'General case' 1 C--N 1.481 6.286 0 CA-C-O 121.96 0.885 . . . . 0.0 111.422 -172.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -23.62 51.2 Favored 'General case' 1 C--N 1.482 6.33 0 CA-C-O 121.858 0.837 . . . . 0.0 110.699 173.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -56.29 24.09 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.16 0.981 . . . . 0.0 110.82 173.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -33.28 75.67 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 122.214 1.007 . . . . 0.0 111.275 -171.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.99 -70.44 0.1 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 125.098 2.38 . . . . 0.0 112.319 171.737 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.747 ' HA ' HG23 ' A' ' 16' ' ' VAL . 35.9 t-105 -72.24 -18.11 61.85 Favored 'General case' 1 C--N 1.493 6.81 0 O-C-N 120.546 -1.346 . . . . 0.0 109.834 -171.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -39.01 93.26 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.277 1.037 . . . . 0.0 108.658 170.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.575 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 4.1 m -44.47 -48.0 10.01 Favored 'General case' 1 C--N 1.487 6.56 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -63.05 -60.84 2.12 Favored 'Isoleucine or valine' 1 C--N 1.493 6.811 0 C-N-CA 119.195 -1.002 . . . . 0.0 113.162 178.062 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD21 ' HE1' ' A' ' 13' ' ' TRP . 11.5 mt -46.93 -49.16 20.99 Favored 'General case' 1 C--N 1.476 6.096 0 O-C-N 119.242 -2.161 . . . . 0.0 110.125 -172.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -82.68 0.01 OUTLIER 'General case' 1 C--N 1.488 6.593 0 CA-C-N 114.832 -1.076 . . . . 0.0 113.9 -170.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -178.81 29.58 0.0 OUTLIER 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.984 0.897 . . . . 0.0 110.572 -170.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD2' ' HG2' ' A' ' 40' ' ' PRO . 3.8 t0 -59.21 128.05 84.89 Favored Pre-proline 1 C--N 1.481 6.302 0 CA-C-O 122.071 0.939 . . . . 0.0 110.888 -171.476 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -57.32 -87.97 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.372 1 C-N-CA 125.981 4.454 . . . . 0.0 114.028 179.237 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -90.74 -77.95 0.4 Allowed 'General case' 1 C--N 1.477 6.116 0 CA-C-O 123.65 1.691 . . . . 0.0 109.032 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . . . -160.28 92.5 0.99 Allowed 'General case' 1 C--N 1.484 6.454 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.012 170.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.769 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 4.1 m-20 -38.35 131.37 1.2 Allowed 'General case' 1 C--N 1.477 6.132 0 CA-C-O 125.451 2.548 . . . . 0.0 112.281 -171.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -92.64 1.79 Allowed Glycine 1 C--N 1.491 9.185 0 N-CA-C 107.15 -2.38 . . . . 0.0 107.15 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -160.59 24.12 0.15 Allowed 'General case' 1 C--N 1.474 6.019 0 CA-C-N 114.683 -0.758 . . . . 0.0 109.862 168.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.774 ' CE2' ' HE2' ' A' ' 54' ' ' PHE . 11.4 p90 -80.2 163.48 24.0 Favored 'General case' 1 C--N 1.504 7.307 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -169.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.06 HG23 ' HD2' ' A' ' 55' ' ' TYR . 2.5 m -138.32 156.7 30.51 Favored 'Isoleucine or valine' 1 C--N 1.486 6.521 0 C-N-CA 125.187 1.395 . . . . 0.0 109.35 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HD1' ' H ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -134.52 142.74 47.11 Favored 'General case' 1 C--N 1.477 6.127 0 O-C-N 120.126 -1.608 . . . . 0.0 109.906 -175.672 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -120.15 100.79 7.4 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 121.436 -0.79 . . . . 0.0 110.846 -174.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.963 HG21 ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.84 104.18 15.3 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-O 121.86 0.838 . . . . 0.0 110.32 176.192 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -83.65 28.3 0.57 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -170.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.747 HG22 ' CG2' ' A' ' 31' ' ' VAL . 8.7 t -96.27 -41.48 8.64 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 121.207 -0.933 . . . . 0.0 110.754 175.573 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.5 m -101.67 -5.05 25.49 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' CZ ' ' A' ' 66' ' ' PHE . . . 72.87 54.75 6.94 Favored Glycine 1 C--N 1.478 8.463 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' N ' ' CZ ' ' A' ' 66' ' ' PHE . 1.1 pt -135.72 128.59 47.28 Favored 'Isoleucine or valine' 1 C--N 1.482 6.345 0 CA-C-O 122.409 1.099 . . . . 0.0 112.569 174.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.9 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -106.58 118.34 36.42 Favored 'General case' 1 C--N 1.48 6.251 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 171.041 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.029 ' HB2' ' O ' ' A' ' 69' ' ' CYS . 14.6 p -159.9 -159.39 0.72 Allowed 'General case' 1 C--N 1.473 5.97 0 O-C-N 120.919 -1.113 . . . . 0.0 110.464 -174.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 14.8 mmt85 -94.49 160.9 30.68 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 121.406 0.622 . . . . 0.0 110.021 171.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -23.92 162.57 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.267 1 C-N-CA 128.393 6.062 . . . . 0.0 119.733 -179.241 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 46' ' ' HIS . 25.1 p 0.67 117.1 0.0 OUTLIER 'General case' 1 C--N 1.484 6.451 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 -171.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 m -92.43 162.97 14.02 Favored 'General case' 1 C--N 1.49 6.687 0 CA-C-O 123.237 1.494 . . . . 0.0 112.745 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -6.34 -59.17 0.0 OUTLIER 'General case' 1 C--N 1.479 6.22 0 C-N-CA 126.011 1.724 . . . . 0.0 114.276 170.809 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -78.24 -174.35 3.66 Favored 'General case' 1 C--N 1.477 6.148 0 CA-C-O 124.052 1.882 . . . . 0.0 112.88 -169.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.742 ' O ' ' HB3' ' A' ' 46' ' ' HIS . 3.9 ttm180 -41.86 -21.32 0.02 OUTLIER 'General case' 1 C--N 1.489 6.672 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.92 172.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 0.5 OUTLIER 89.02 102.55 0.03 OUTLIER 'General case' 1 C--N 1.478 6.17 0 CA-C-O 122.394 1.092 . . . . 0.0 110.779 171.76 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.963 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -46.46 149.27 0.8 Allowed 'General case' 1 C--N 1.483 6.389 0 CA-C-O 121.953 0.882 . . . . 0.0 110.917 -172.166 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.007 HD13 ' CG ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.63 174.13 8.76 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.755 0.788 . . . . 0.0 110.926 -177.847 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.3 ptt180 -83.22 9.28 11.01 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.721 -0.612 . . . . 0.0 111.686 173.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.007 ' CG ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.4 -10.7 51.31 Favored 'General case' 1 C--N 1.479 6.236 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -170.387 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.861 HD21 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.73 21.19 2.69 Favored 'General case' 1 C--N 1.47 5.836 0 CA-C-O 124.908 2.289 . . . . 0.0 107.557 172.168 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -98.95 143.87 12.64 Favored 'Isoleucine or valine' 1 C--N 1.496 6.945 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.39 -165.125 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.595 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 3.6 t -111.55 177.55 4.62 Favored 'General case' 1 C--N 1.477 6.119 0 O-C-N 120.601 -1.312 . . . . 0.0 110.825 175.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HE2' ' CE2' ' A' ' 27' ' ' PHE . 7.0 m-85 -148.31 141.05 24.6 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.652 1.215 . . . . 0.0 112.796 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.06 ' HD2' HG23 ' A' ' 28' ' ' VAL . 3.4 m-85 -145.97 156.73 43.71 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.672 -174.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -9.15 58.19 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 120.179 -1.575 . . . . 0.0 111.226 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -162.09 160.27 27.19 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.772 0.796 . . . . 0.0 110.802 171.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -58.97 -31.63 68.92 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.615 0.721 . . . . 0.0 111.269 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.625 ' HA ' HD21 ' A' ' 62' ' ' LEU . 3.4 t -55.56 -28.55 55.58 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.787 0.803 . . . . 0.0 110.845 -175.179 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.793 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -69.51 -62.19 1.48 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.604 0.716 . . . . 0.0 111.374 173.849 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.773 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -54.46 -22.12 11.83 Favored 'General case' 1 C--N 1.48 6.277 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.26 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 59' ' ' SER . 2.4 pp -81.1 -43.39 19.52 Favored 'General case' 1 C--N 1.478 6.159 0 O-C-N 120.815 -1.178 . . . . 0.0 110.69 171.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.67 -26.43 9.16 Favored 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.916 0.865 . . . . 0.0 110.537 171.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.82 -40.68 75.76 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-O 122.962 1.363 . . . . 0.0 109.392 171.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 108.61 37.74 2.02 Favored Glycine 1 C--N 1.483 8.722 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 172.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.9 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -107.47 -177.72 3.43 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-N 114.635 -0.783 . . . . 0.0 112.265 -170.808 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.9 116.11 64.97 Favored Pre-proline 1 C--N 1.479 6.204 0 CA-C-O 122.492 1.139 . . . . 0.0 113.18 -170.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -55.29 121.04 9.2 Favored 'Trans proline' 1 C--N 1.485 7.75 1 C-N-CA 127.004 5.136 . . . . 0.0 115.282 -179.574 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 1.029 ' O ' ' HB2' ' A' ' 38' ' ' CYS 0.363 7.3 t -131.25 84.37 2.17 Favored 'General case' 1 C--N 1.476 6.102 0 CA-C-O 127.33 3.443 . . . . 0.0 108.689 171.117 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -90.61 0.0 OUTLIER 'General case' 1 C--N 1.506 7.371 0 O-C-N 118.607 -2.558 . . . . 0.0 112.761 -167.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -68.3 0.29 Allowed 'General case' 1 C--N 1.482 6.332 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 171.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.412 ' HA ' ' SG ' ' A' ' 69' ' ' CYS . 0.5 OUTLIER -176.92 66.67 0.02 OUTLIER 'General case' 1 C--N 1.478 6.177 0 CA-C-O 123.712 1.72 . . . . 0.0 110.351 166.967 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -40.95 94.02 0.07 OUTLIER Pre-proline 1 C--N 1.478 6.189 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.93 -156.5 0.07 OUTLIER 'Trans proline' 1 C--N 1.478 7.355 1 C-N-CA 127.721 5.614 . . . . 0.0 113.084 178.205 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' A' ' 76' ' ' LYS . 1.1 t0 -128.65 -96.54 0.39 Allowed 'General case' 1 C--N 1.477 6.147 0 CA-C-O 121.633 0.73 . . . . 0.0 110.808 171.528 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 75' ' ' ASP . 10.9 tttp -157.63 135.88 11.05 Favored 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.463 0.649 . . . . 0.0 110.681 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.37 -52.47 0.01 OUTLIER 'General case' 1 C--N 1.477 6.114 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 171.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 168.01 104.76 0.04 OUTLIER Pre-proline 1 C--N 1.48 6.278 0 CA-C-O 121.92 0.867 . . . . 0.0 110.927 173.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -36.91 155.11 0.02 OUTLIER 'Trans proline' 1 C--N 1.477 7.305 1 C-N-CA 126.381 4.721 . . . . 0.0 114.922 -179.88 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 73.91 96.26 0.07 Allowed 'General case' 1 C--N 1.479 6.236 0 CA-C-O 121.753 0.787 . . . . 0.0 111.291 -177.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.51 169.98 0.02 OUTLIER 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.822 0.82 . . . . 0.0 111.213 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -144.34 129.91 19.04 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.728 0.775 . . . . 0.0 110.954 173.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -75.03 -37.23 61.81 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.739 0.78 . . . . 0.0 111.006 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.98 -130.92 0.01 OUTLIER 'General case' 1 C--N 1.479 6.197 0 O-C-N 121.891 -0.506 . . . . 0.0 110.737 -172.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.7 t0 84.04 -164.53 0.01 OUTLIER 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.052 -1.03 . . . . 0.0 110.662 173.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? 53.15 26.09 4.74 Favored 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.751 0.786 . . . . 0.0 110.947 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -100.95 -40.05 7.51 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.77 0.795 . . . . 0.0 110.97 -179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.24 163.5 13.57 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.761 0.791 . . . . 0.0 110.983 173.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -102.6 -71.94 0.71 Allowed 'General case' 1 C--N 1.479 6.203 0 CA-C-O 121.777 0.798 . . . . 0.0 111.114 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.87 151.53 27.26 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.735 0.779 . . . . 0.0 111.024 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.81 125.22 14.75 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.771 0.796 . . . . 0.0 110.999 -177.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 . . . . . 1 C--N 1.479 6.226 0 CA-C-O 121.985 0.898 . . . . 0.0 110.832 -174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.727 0.775 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 110.33 5.27 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.76 0.791 . . . . 0.0 110.971 -179.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -151.2 70.25 0.97 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.935 0.874 . . . . 0.0 110.967 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.59 16.96 4.17 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.371 0.605 . . . . 0.0 111.466 -176.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -84.66 -39.74 18.25 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.72 0.771 . . . . 0.0 111.069 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.15 135.16 57.67 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.79 0.805 . . . . 0.0 110.907 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.39 103.29 11.04 Favored 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.773 0.797 . . . . 0.0 110.962 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.42 147.83 23.82 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.866 0.841 . . . . 0.0 111.072 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.417 ' OD2' ' HD2' ' A' ' 54' ' ' PHE . 1.8 m-20 -55.33 -19.86 9.93 Favored 'General case' 1 C--N 1.481 6.295 0 CA-C-O 121.845 0.831 . . . . 0.0 110.871 172.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.22 -49.67 68.8 Favored 'General case' 1 C--N 1.48 6.275 0 CA-C-O 121.881 0.848 . . . . 0.0 110.867 177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.79 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -67.89 -46.75 70.75 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.473 1.13 . . . . 0.0 110.934 -176.737 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.79 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 5.8 mpt_? -40.71 -70.27 0.11 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 124.69 2.186 . . . . 0.0 112.214 173.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.792 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.7 t-105 -72.14 -28.56 63.33 Favored 'General case' 1 C--N 1.489 6.639 0 O-C-N 120.622 -1.298 . . . . 0.0 111.204 -170.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -55.22 -34.25 63.79 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 122.097 0.951 . . . . 0.0 109.572 171.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 1.6 t -58.85 -41.2 86.43 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.647 171.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.792 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.8 t -53.86 -57.26 5.95 Favored 'Isoleucine or valine' 1 C--N 1.494 6.851 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.017 171.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.28 -45.56 34.86 Favored 'General case' 1 C--N 1.476 6.097 0 CA-C-O 123.75 1.738 . . . . 0.0 109.084 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.94 62.12 6.72 Favored 'General case' 1 C--N 1.486 6.538 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.163 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -29.37 -45.49 0.05 OUTLIER 'General case' 1 C--N 1.48 6.261 0 C-N-CA 123.344 0.658 . . . . 0.0 111.868 172.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -51.22 110.44 1.79 Allowed Pre-proline 1 C--N 1.479 6.218 0 O-C-N 121.275 -0.891 . . . . 0.0 110.671 172.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -39.19 80.11 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.387 1 C-N-CA 126.588 4.859 . . . . 0.0 115.281 -179.115 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -87.84 -74.48 0.45 Allowed 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.92 0.866 . . . . 0.0 110.916 173.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -104.1 12.08 34.42 Favored 'General case' 1 C--N 1.48 6.272 0 CA-C-O 121.476 0.655 . . . . 0.0 111.383 177.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.14 -83.82 0.01 OUTLIER 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.776 0.798 . . . . 0.0 110.706 -174.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.35 -83.14 1.5 Allowed Glycine 1 C--N 1.478 8.442 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 171.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.53 10.59 1.1 Allowed 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.299 0.571 . . . . 0.0 111.054 172.116 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.701 ' HE1' ' HG3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -77.09 161.16 28.49 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 123.049 1.404 . . . . 0.0 112.925 -170.509 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.969 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.7 m -128.99 160.35 39.95 Favored 'Isoleucine or valine' 1 C--N 1.483 6.383 0 C-N-CA 124.432 1.093 . . . . 0.0 109.876 -172.144 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -134.88 159.63 40.79 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.523 -1.361 . . . . 0.0 109.895 174.283 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.92 5.57 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 120.971 -1.081 . . . . 0.0 111.6 -176.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.954 HG21 ' HB3' ' A' ' 47' ' ' ALA . 7.7 p -96.35 102.27 13.32 Favored 'Isoleucine or valine' 1 C--N 1.479 6.202 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.007 176.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.21 50.65 2.02 Favored 'General case' 1 C--N 1.478 6.153 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -44.18 8.02 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 120.434 -1.416 . . . . 0.0 110.043 178.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.4 m -112.27 -40.55 4.13 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-O 122.47 1.129 . . . . 0.0 110.013 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.03 72.14 0.14 Allowed Glycine 1 C--N 1.486 8.869 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.368 171.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 0.9 OUTLIER -137.75 136.3 45.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.235 0 O-C-N 121.077 -1.249 . . . . 0.0 111.482 171.455 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.005 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.4 p90 -112.94 111.58 22.44 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 121.417 -0.802 . . . . 0.0 109.167 171.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.8 t -127.47 159.19 35.3 Favored 'General case' 1 C--N 1.478 6.167 0 O-C-N 120.242 -1.536 . . . . 0.0 112.79 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.19 122.8 87.51 Favored Pre-proline 1 C--N 1.475 6.046 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 167.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.701 ' HG3' ' HE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -13.69 59.71 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.887 1 C-N-CA 128.577 6.185 . . . . 0.0 120.083 -176.56 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.48 118.41 0.04 OUTLIER 'General case' 1 C--N 1.48 6.277 0 O-C-N 120.814 -1.179 . . . . 0.0 113.147 171.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 10.3 m -142.43 96.37 2.94 Favored 'General case' 1 C--N 1.478 6.163 0 O-C-N 120.408 -1.433 . . . . 0.0 109.981 168.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -2.19 -74.04 0.0 OUTLIER 'General case' 1 C--N 1.477 6.109 0 C-N-CA 125.63 1.572 . . . . 0.0 113.085 170.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 102.17 0.04 OUTLIER 'General case' 1 C--N 1.483 6.384 0 O-C-N 121.443 -0.785 . . . . 0.0 110.175 172.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.37 98.23 0.01 OUTLIER 'General case' 1 C--N 1.481 6.304 0 CA-C-O 122.824 1.297 . . . . 0.0 110.81 -170.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.33 156.15 0.12 Allowed 'General case' 1 C--N 1.484 6.413 0 CA-C-O 122.644 1.212 . . . . 0.0 112.605 -171.166 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.954 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -54.97 -173.19 0.0 OUTLIER 'General case' 1 C--N 1.483 6.405 0 CA-C-O 121.949 0.88 . . . . 0.0 110.836 173.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.873 ' HB2' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -83.89 176.5 8.85 Favored 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.895 0.855 . . . . 0.0 110.863 -176.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 14.11 7.46 Favored 'General case' 1 C--N 1.48 6.271 0 CA-C-O 122.321 1.058 . . . . 0.0 111.4 171.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.873 ' HG3' ' HB2' ' A' ' 48' ' ' LEU . 4.2 mt-10 -88.49 -16.56 32.39 Favored 'General case' 1 C--N 1.483 6.4 0 O-C-N 121.273 -0.892 . . . . 0.0 112.831 -170.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.479 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -135.76 24.0 3.37 Favored 'General case' 1 C--N 1.471 5.86 0 CA-C-O 125.443 2.544 . . . . 0.0 107.102 178.725 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.54 153.41 4.68 Favored 'Isoleucine or valine' 1 C--N 1.5 7.121 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.122 -165.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -120.21 172.45 7.77 Favored 'General case' 1 C--N 1.476 6.092 0 O-C-N 119.814 -1.804 . . . . 0.0 110.919 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 26.1 m-85 -143.75 132.97 23.1 Favored 'General case' 1 C--N 1.481 6.314 0 CA-C-O 123.006 1.384 . . . . 0.0 111.585 -176.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.63 160.66 39.36 Favored 'General case' 1 C--N 1.481 6.283 0 C-N-CA 124.148 0.979 . . . . 0.0 110.073 -171.478 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -28.72 55.96 Favored 'General case' 1 C--N 1.48 6.27 0 O-C-N 119.381 -2.074 . . . . 0.0 112.884 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 11.0 t-20 -146.12 159.11 43.74 Favored 'General case' 1 C--N 1.479 6.238 0 O-C-N 121.1 -1.0 . . . . 0.0 112.054 176.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.898 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -68.04 -8.88 41.54 Favored 'General case' 1 C--N 1.482 6.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.145 173.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 1.1 p -66.24 -32.48 73.93 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.296 -0.878 . . . . 0.0 110.752 173.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.877 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -70.1 -57.01 5.45 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.441 0.638 . . . . 0.0 111.452 173.507 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . . . -57.25 -16.62 8.83 Favored 'General case' 1 C--N 1.479 6.202 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.8 -49.35 9.81 Favored 'General case' 1 C--N 1.476 6.088 0 O-C-N 120.598 -1.314 . . . . 0.0 109.865 170.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.21 -22.11 4.04 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-O 121.712 0.768 . . . . 0.0 111.091 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -71.74 -42.35 67.38 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.682 1.23 . . . . 0.0 109.544 172.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.82 36.05 2.87 Favored Glycine 1 C--N 1.483 8.737 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 173.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.005 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.99 -165.46 1.19 Allowed 'General case' 1 C--N 1.479 6.225 0 CA-C-N 114.601 -0.8 . . . . 0.0 111.716 -171.182 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.78 ' HD3' ' N ' ' A' ' 68' ' ' PRO . 7.4 tpp85 -97.61 117.74 64.99 Favored Pre-proline 1 C--N 1.479 6.209 0 O-C-N 120.728 -1.232 . . . . 0.0 112.302 178.271 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.78 ' N ' ' HD3' ' A' ' 67' ' ' ARG . 55.8 Cg_endo -62.3 103.43 0.31 Allowed 'Trans proline' 1 C--N 1.48 7.495 1 C-N-CA 126.963 5.109 . . . . 0.0 114.915 -178.823 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.569 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 1.8 t -113.47 96.72 6.04 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.43 -89.64 0.12 Allowed 'General case' 1 C--N 1.495 6.905 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.946 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -68.75 0.24 Allowed 'General case' 1 C--N 1.477 6.141 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 169.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER 178.78 66.71 0.01 OUTLIER 'General case' 1 C--N 1.479 6.215 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.246 169.044 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.578 ' HB2' ' HD3' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -39.53 -64.38 0.53 Allowed Pre-proline 1 C--N 1.473 5.969 0 CA-C-O 122.244 1.021 . . . . 0.0 112.083 -172.186 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.629 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 65.4 Cg_exo -48.49 -179.94 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.378 1 C-N-CA 126.391 4.727 . . . . 0.0 114.682 -179.62 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 1.7 t70 166.69 88.01 0.0 OUTLIER 'General case' 1 C--N 1.478 6.156 0 CA-C-O 121.706 0.765 . . . . 0.0 110.806 178.432 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -77.0 -15.39 59.65 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.505 0.669 . . . . 0.0 110.854 -172.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -22.06 -82.19 0.01 OUTLIER 'General case' 1 C--N 1.477 6.123 0 CA-C-O 121.946 0.879 . . . . 0.0 113.359 171.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.93 59.49 0.02 OUTLIER Pre-proline 1 C--N 1.481 6.325 0 CA-C-O 122.818 1.294 . . . . 0.0 110.853 172.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -73.02 -27.0 14.53 Favored 'Trans proline' 1 C--N 1.483 7.636 1 C-N-CA 126.324 4.682 . . . . 0.0 115.624 -179.321 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 87.05 -20.66 0.21 Allowed 'General case' 1 C--N 1.478 6.176 0 CA-C-O 121.294 0.569 . . . . 0.0 111.882 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 61.29 87.47 0.09 Allowed 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.689 0.757 . . . . 0.0 111.011 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -91.92 130.12 37.74 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 122.021 0.915 . . . . 0.0 110.958 175.58 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 43.05 -106.15 0.08 Allowed 'General case' 1 C--N 1.48 6.265 0 O-C-N 121.845 -0.534 . . . . 0.0 111.557 172.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER 46.83 53.21 10.59 Favored 'General case' 1 C--N 1.479 6.206 0 O-C-N 121.046 -1.034 . . . . 0.0 111.242 172.071 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.5 146.4 24.14 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.773 0.797 . . . . 0.0 110.984 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -76.27 137.2 39.77 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.781 0.801 . . . . 0.0 110.999 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 tt -133.44 -51.84 0.67 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.221 0 CA-C-O 121.775 0.798 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 t -121.04 156.06 33.01 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.727 0.775 . . . . 0.0 110.949 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -101.6 103.15 13.96 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.742 0.782 . . . . 0.0 111.094 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.7 -147.5 0.21 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.69 0.757 . . . . 0.0 111.025 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 32.4 m -102.34 36.63 2.09 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.729 0.776 . . . . 0.0 110.94 174.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 1 C--N 1.479 6.202 0 CA-C-O 122.044 0.926 . . . . 0.0 110.956 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.431 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 121.94 0.876 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -134.55 141.86 46.81 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.735 0.778 . . . . 0.0 111.45 -171.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.15 119.08 0.04 OUTLIER 'General case' 1 C--N 1.482 6.347 0 CA-C-O 122.53 1.157 . . . . 0.0 111.047 171.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.75 -147.8 0.13 Allowed 'General case' 1 C--N 1.484 6.436 0 O-C-N 121.081 -1.012 . . . . 0.0 111.082 -176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 p -104.68 -167.51 1.36 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.787 0.803 . . . . 0.0 111.021 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.83 117.18 21.91 Favored 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.756 0.789 . . . . 0.0 110.98 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 mt -85.51 4.97 33.41 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.256 0.55 . . . . 0.0 111.599 -172.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.726 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -126.82 -56.97 1.36 Allowed 'General case' 1 C--N 1.479 6.199 0 O-C-N 121.432 -0.792 . . . . 0.0 110.855 -173.588 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -39.38 61.38 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 122.203 1.001 . . . . 0.0 110.95 -178.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -29.42 36.8 Favored 'General case' 1 C--N 1.481 6.308 0 CA-C-O 121.553 0.692 . . . . 0.0 110.975 -173.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -68.72 -47.04 67.36 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 122.443 1.116 . . . . 0.0 110.812 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.787 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -41.7 -71.06 0.09 Allowed 'General case' 1 C--N 1.479 6.212 0 CA-C-O 124.028 1.871 . . . . 0.0 113.131 177.308 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.722 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 50.3 t-105 -77.36 -32.12 54.83 Favored 'General case' 1 C--N 1.484 6.417 0 O-C-N 120.678 -1.264 . . . . 0.0 112.905 -168.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.4 -22.29 19.29 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-O 122.204 1.002 . . . . 0.0 109.444 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.787 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 65.9 m -71.45 -44.33 65.01 Favored 'General case' 1 C--N 1.483 6.404 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.707 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -49.98 -56.84 2.83 Favored 'Isoleucine or valine' 1 C--N 1.496 6.944 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.014 171.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -49.37 -43.64 44.23 Favored 'General case' 1 C--N 1.476 6.098 0 CA-C-O 123.489 1.614 . . . . 0.0 109.791 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.43 55.58 3.61 Favored 'General case' 1 C--N 1.486 6.514 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.198 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -35.96 0.23 Allowed 'General case' 1 C--N 1.479 6.214 0 O-C-N 121.468 -0.77 . . . . 0.0 111.37 171.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -39.64 103.3 0.28 Allowed Pre-proline 1 C--N 1.479 6.197 0 CA-C-O 121.759 0.79 . . . . 0.0 110.212 171.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -23.19 69.81 0.0 OUTLIER 'Trans proline' 1 C--N 1.476 7.268 1 C-N-CA 127.967 5.778 . . . . 0.0 117.736 -178.454 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -89.2 -74.69 0.46 Allowed 'General case' 1 C--N 1.482 6.338 0 CA-C-O 122.277 1.037 . . . . 0.0 110.961 171.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' OE2' ' A' ' 26' ' ' GLU . . . -139.67 35.15 2.0 Favored 'General case' 1 C--N 1.483 6.396 0 CA-C-O 121.652 0.739 . . . . 0.0 111.209 -172.023 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -41.75 83.2 Favored 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.815 0.817 . . . . 0.0 110.822 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.99 -16.44 64.13 Favored Glycine 1 C--N 1.479 8.505 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' OE2' ' HB1' ' A' ' 23' ' ' ALA . 7.2 pt-20 -107.74 13.46 26.45 Favored 'General case' 1 C--N 1.482 6.335 0 O-C-N 121.314 -1.11 . . . . 0.0 112.181 -171.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -169.11 158.94 8.77 Favored 'General case' 1 C--N 1.48 6.241 0 CA-C-O 123.064 1.412 . . . . 0.0 113.139 175.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.976 HG22 ' HB2' ' A' ' 55' ' ' TYR . 1.4 m -136.5 153.57 31.07 Favored 'Isoleucine or valine' 1 C--N 1.486 6.543 0 O-C-N 120.902 -1.124 . . . . 0.0 109.7 -172.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 40' ' ' PRO . 19.0 p90 -135.72 142.33 45.03 Favored 'General case' 1 C--N 1.477 6.115 0 O-C-N 121.059 -1.025 . . . . 0.0 110.083 -172.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -122.14 107.14 11.83 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.378 -0.826 . . . . 0.0 111.3 -175.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.052 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.3 p -84.1 106.62 14.6 Favored 'Isoleucine or valine' 1 C--N 1.479 6.204 0 CA-C-O 121.679 0.752 . . . . 0.0 110.061 171.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -80.39 10.28 4.81 Favored 'General case' 1 C--N 1.48 6.243 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.609 HG22 HG22 ' A' ' 31' ' ' VAL . 8.7 t -91.14 -33.24 15.52 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 120.95 -1.094 . . . . 0.0 110.759 178.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.5 m -102.92 2.68 35.52 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.064 171.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.78 45.62 93.26 Favored Glycine 1 C--N 1.48 8.569 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 174.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.5 pt -132.6 142.7 41.82 Favored 'Isoleucine or valine' 1 C--N 1.481 6.321 0 CA-C-O 122.156 0.979 . . . . 0.0 112.3 174.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.998 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.1 p90 -116.99 129.85 56.3 Favored 'General case' 1 C--N 1.479 6.209 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 172.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 7.1 t -146.15 159.68 42.97 Favored 'General case' 1 C--N 1.475 6.045 0 O-C-N 120.944 -1.097 . . . . 0.0 111.682 -171.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -74.82 114.48 34.98 Favored Pre-proline 1 C--N 1.477 6.139 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 168.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HA ' ' HE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -20.36 79.58 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.091 1 C-N-CA 127.013 5.142 . . . . 0.0 116.406 -177.613 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.19 14.47 0.0 OUTLIER 'General case' 1 C--N 1.489 6.663 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 174.408 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.9 m -44.27 138.41 3.08 Favored 'General case' 1 C--N 1.478 6.152 0 CA-C-N 122.411 2.369 . . . . 0.0 110.413 171.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 72' ' ' CYS . 4.7 mtp180 -95.53 -3.07 47.24 Favored 'General case' 1 C--N 1.479 6.216 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.72 -178.93 3.87 Favored 'General case' 1 C--N 1.477 6.144 0 CA-C-O 122.946 1.355 . . . . 0.0 109.728 170.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 94.07 0.01 OUTLIER 'General case' 1 C--N 1.489 6.671 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.618 172.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -23.69 112.16 0.03 OUTLIER 'General case' 1 C--N 1.477 6.149 0 C-N-CA 124.365 1.066 . . . . 0.0 113.753 -170.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.052 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -40.05 156.65 0.02 OUTLIER 'General case' 1 C--N 1.482 6.339 0 CA-C-O 121.863 0.84 . . . . 0.0 111.043 174.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.641 ' HB3' ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -79.12 129.48 34.49 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.48 0.657 . . . . 0.0 111.096 -174.662 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -62.97 -15.16 55.02 Favored 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.734 0.778 . . . . 0.0 111.602 171.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -86.93 0.62 54.76 Favored 'General case' 1 C--N 1.48 6.273 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.239 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.527 HD21 HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.26 21.37 2.98 Favored 'General case' 1 C--N 1.47 5.805 0 CA-C-O 125.275 2.464 . . . . 0.0 107.327 171.018 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 HG22 ' HD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -100.48 145.29 11.27 Favored 'Isoleucine or valine' 1 C--N 1.497 7.013 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.327 -164.727 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.78 176.63 5.08 Favored 'General case' 1 C--N 1.478 6.158 0 O-C-N 120.33 -1.481 . . . . 0.0 110.901 175.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.709 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 97.8 m-85 -140.11 148.87 42.33 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 123.384 1.564 . . . . 0.0 113.111 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.976 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -146.93 161.46 40.7 Favored 'General case' 1 C--N 1.482 6.331 0 C-N-CA 124.728 1.211 . . . . 0.0 109.844 -178.742 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.0 54.08 Favored 'General case' 1 C--N 1.48 6.276 0 O-C-N 119.105 -2.247 . . . . 0.0 113.136 172.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 25.9 t-20 -160.96 162.6 31.98 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.008 -1.057 . . . . 0.0 112.063 178.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -51.17 -21.76 2.19 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-O 121.706 0.765 . . . . 0.0 111.179 175.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -51.62 -56.02 15.95 Favored 'General case' 1 C--N 1.48 6.265 0 CA-C-O 122.141 0.972 . . . . 0.0 110.984 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.935 ' HG3' ' HB3' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.82 -41.79 59.26 Favored 'General case' 1 C--N 1.482 6.333 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.263 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -59.03 -23.82 62.29 Favored 'General case' 1 C--N 1.478 6.165 0 O-C-N 120.812 -1.18 . . . . 0.0 113.573 171.402 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -81.43 -52.65 7.03 Favored 'General case' 1 C--N 1.477 6.135 0 O-C-N 120.633 -1.292 . . . . 0.0 110.57 173.364 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.49 -19.63 3.91 Favored 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.534 0.683 . . . . 0.0 110.776 171.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -68.01 -43.77 78.09 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.143 1.449 . . . . 0.0 108.115 171.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 109.74 36.72 1.99 Allowed Glycine 1 C--N 1.486 8.88 0 CA-C-N 113.834 -1.53 . . . . 0.0 109.394 171.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.998 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -105.45 -174.09 2.45 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.709 -0.746 . . . . 0.0 112.472 -171.01 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.912 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 1.4 tpp85 -94.79 118.39 66.78 Favored Pre-proline 1 C--N 1.479 6.203 0 O-C-N 121.134 -0.979 . . . . 0.0 111.232 -172.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.912 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 78.9 Cg_endo -65.84 91.43 0.25 Allowed 'Trans proline' 1 C--N 1.486 7.791 1 C-N-CA 127.771 5.647 . . . . 0.0 119.828 -177.882 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.977 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 37.4 t -103.31 93.92 5.23 Favored 'General case' 1 C--N 1.479 6.239 0 CA-C-O 125.011 2.338 . . . . 0.0 110.215 170.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -122.14 31.41 6.19 Favored 'General case' 1 C--N 1.5 7.123 0 CA-C-O 123.011 1.386 . . . . 0.0 111.371 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER 179.49 47.22 0.0 OUTLIER 'General case' 1 C--N 1.482 6.362 0 CA-C-O 121.927 0.87 . . . . 0.0 109.419 -176.561 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.534 ' HB3' ' HG3' ' A' ' 43' ' ' ARG 0.397 85.9 m 7.74 54.28 0.0 OUTLIER 'General case' 1 C--N 1.477 6.14 1 CA-C-O 131.719 5.533 . . . . 0.0 107.227 -167.29 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.646 HE22 ' HB2' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -41.19 91.56 0.05 OUTLIER Pre-proline 1 C--N 1.53 8.42 0 CA-C-N 109.104 -3.68 . . . . 0.0 116.41 177.684 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER -97.85 12.95 0.84 Allowed 'Trans proline' 1 C--N 1.479 7.402 1 C-N-CA 128.014 5.809 . . . . 0.0 115.613 177.98 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.646 ' HB2' HE22 ' A' ' 73' ' ' GLN . 2.0 m-20 -98.62 46.04 1.0 Allowed 'General case' 1 C--N 1.48 6.24 0 O-C-N 120.737 -1.227 . . . . 0.0 112.707 -170.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -32.3 20.71 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.269 -0.894 . . . . 0.0 110.555 171.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -21.6 -49.07 0.01 OUTLIER 'General case' 1 C--N 1.477 6.15 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 171.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 71.92 56.99 0.39 Allowed Pre-proline 1 C--N 1.481 6.321 0 CA-C-O 122.597 1.189 . . . . 0.0 110.725 -174.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.86 -89.36 0.0 OUTLIER 'Trans proline' 1 C--N 1.48 7.455 1 C-N-CA 126.347 4.698 . . . . 0.0 114.843 -179.88 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -172.92 -41.16 0.01 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.736 0.779 . . . . 0.0 111.066 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -46.16 119.02 2.12 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.696 0.76 . . . . 0.0 111.126 -172.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 69.54 0.01 OUTLIER 'General case' 1 C--N 1.479 6.21 0 CA-C-O 122.644 1.212 . . . . 0.0 110.715 173.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -91.12 148.96 22.01 Favored 'General case' 1 C--N 1.482 6.365 0 CA-C-O 121.8 0.81 . . . . 0.0 111.222 -173.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pp -87.74 4.33 44.61 Favored 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.781 -0.574 . . . . 0.0 111.575 172.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -165.94 93.58 0.54 Allowed 'General case' 1 C--N 1.479 6.235 0 CA-C-O 121.842 0.829 . . . . 0.0 111.113 -172.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -174.76 -40.07 0.01 OUTLIER 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.748 0.785 . . . . 0.0 111.155 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -99.71 30.99 0.46 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-O 121.856 0.836 . . . . 0.0 110.911 -173.651 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 p -120.54 167.07 12.77 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.747 0.784 . . . . 0.0 111.059 176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.21 98.11 7.44 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.758 0.789 . . . . 0.0 111.005 172.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.74 -152.94 0.37 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.747 0.784 . . . . 0.0 110.999 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.22 133.62 38.83 Favored 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.824 0.821 . . . . 0.0 110.961 -175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 . . . . . 1 C--N 1.479 6.23 0 CA-C-O 122.006 0.907 . . . . 0.0 111.006 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.643 0 CA-C-O 121.533 0.682 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -153.93 42.52 0.54 Allowed 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.727 0.775 . . . . 0.0 111.039 -172.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -113.18 -170.03 1.6 Allowed 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.776 0.798 . . . . 0.0 110.992 174.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.03 9.36 17.36 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.433 0.635 . . . . 0.0 111.553 -172.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -129.03 -42.78 1.36 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.729 0.776 . . . . 0.0 111.02 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.6 m -86.03 106.01 16.88 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.8 0.81 . . . . 0.0 111.003 173.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD12 ' HG3' ' A' ' 11' ' ' GLN . 28.8 mt -78.66 -100.27 0.02 OUTLIER 'General case' 1 C--N 1.48 6.265 0 CA-C-O 121.46 0.648 . . . . 0.0 110.96 -175.532 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.12 -172.36 4.22 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.941 0.877 . . . . 0.0 111.86 -174.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -22.51 32.92 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 121.772 0.796 . . . . 0.0 111.013 172.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.39 -41.9 96.42 Favored 'General case' 1 C--N 1.48 6.263 0 CA-C-O 121.536 0.684 . . . . 0.0 110.985 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.743 ' HG3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.9 -46.46 68.28 Favored 'General case' 1 C--N 1.48 6.244 0 CA-C-O 122.547 1.165 . . . . 0.0 111.111 -178.291 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' CA ' ' HE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -41.01 -68.28 0.19 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 125.195 2.426 . . . . 0.0 112.59 174.616 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.072 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 44.6 t-105 -75.58 -17.52 60.01 Favored 'General case' 1 C--N 1.491 6.732 0 O-C-N 120.432 -1.418 . . . . 0.0 110.686 -170.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -65.56 -32.76 74.53 Favored 'General case' 1 C--N 1.482 6.367 0 CA-C-O 122.473 1.13 . . . . 0.0 108.911 170.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.537 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -55.96 -40.05 72.66 Favored 'General case' 1 C--N 1.483 6.379 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.194 170.55 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.253 2.4 t -64.95 -57.91 9.24 Favored 'Isoleucine or valine' 1 C--N 1.499 7.085 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.254 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD21 ' HE1' ' A' ' 13' ' ' TRP . 15.2 mt -51.79 -50.88 59.86 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 119.279 -2.138 . . . . 0.0 112.315 -175.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 1.26 27.36 Favored 'General case' 1 C--N 1.487 6.577 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -168.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 0.96 63.01 0.0 OUTLIER 'General case' 1 C--N 1.476 6.099 0 C-N-CA 125.387 1.475 . . . . 0.0 114.476 -170.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 22.4 t0 -84.95 -47.26 0.64 Allowed Pre-proline 1 C--N 1.478 6.16 0 CA-C-O 122.456 1.122 . . . . 0.0 109.418 170.341 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 20' ' ' ASP . 11.4 Cg_endo -93.71 -173.94 0.38 Allowed 'Trans proline' 2 C--N 1.477 7.304 1 C-N-CA 126.856 5.037 . . . . 0.0 113.065 178.045 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -89.25 -74.01 0.49 Allowed 'General case' 1 C--N 1.476 6.079 0 CA-C-O 123.472 1.606 . . . . 0.0 109.702 171.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.932 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . . . -152.0 89.4 1.45 Allowed 'General case' 1 C--N 1.481 6.314 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.344 170.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -38.8 114.23 0.37 Allowed 'General case' 1 C--N 1.478 6.173 0 CA-C-O 123.776 1.75 . . . . 0.0 111.416 -171.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.25 -84.1 1.0 Allowed Glycine 1 C--N 1.478 8.429 0 N-CA-C 104.797 -3.321 . . . . 0.0 104.797 170.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.26 21.57 0.1 Allowed 'General case' 1 C--N 1.474 5.994 0 CA-C-N 114.054 -1.073 . . . . 0.0 110.626 166.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -57.03 172.91 0.24 Allowed 'General case' 1 C--N 1.487 6.556 0 CA-C-O 122.136 0.97 . . . . 0.0 112.782 -170.035 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.737 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -150.84 159.54 4.42 Favored 'Isoleucine or valine' 1 C--N 1.48 6.279 0 O-C-N 121.316 -0.865 . . . . 0.0 111.096 -169.006 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -138.83 132.13 30.05 Favored 'General case' 1 C--N 1.479 6.2 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 178.822 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -118.45 107.98 14.47 Favored 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.836 0.827 . . . . 0.0 111.563 -172.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.105 HG21 ' HB1' ' A' ' 47' ' ' ALA . 7.3 p -95.28 96.78 6.08 Favored 'Isoleucine or valine' 1 C--N 1.478 6.196 0 O-C-N 121.913 -0.492 . . . . 0.0 110.407 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -86.15 79.34 9.15 Favored 'General case' 1 C--N 1.48 6.277 0 O-C-N 121.273 -0.892 . . . . 0.0 112.29 -171.413 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.52 -54.21 0.61 Allowed 'General case' 1 C--N 1.478 6.165 0 CA-C-O 121.9 0.857 . . . . 0.0 110.574 173.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.91 3.1 49.74 Favored 'General case' 1 C--N 1.48 6.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 171.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.49 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.38 51.14 6.85 Favored Glycine 1 C--N 1.479 8.504 0 O-C-N 121.364 -0.835 . . . . 0.0 111.566 172.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -131.85 132.67 61.65 Favored 'Isoleucine or valine' 1 C--N 1.479 6.238 0 O-C-N 121.458 -1.025 . . . . 0.0 110.913 171.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.128 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.1 p90 -119.96 146.43 45.84 Favored 'General case' 1 C--N 1.477 6.135 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.612 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 7.6 t -156.74 157.92 35.97 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -168.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.932 ' HD2' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -77.33 105.01 2.08 Favored Pre-proline 1 C--N 1.475 6.052 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 166.745 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -15.36 83.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 7.023 1 C-N-CA 127.391 5.394 . . . . 0.0 118.17 -176.633 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.83 26.06 0.0 OUTLIER 'General case' 1 C--N 1.489 6.647 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 172.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.04 118.92 6.87 Favored 'General case' 1 C--N 1.48 6.274 0 CA-C-N 122.417 2.371 . . . . 0.0 109.209 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 1.0 OUTLIER -76.98 -34.02 57.58 Favored 'General case' 1 C--N 1.479 6.224 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -168.322 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -170.88 0.01 OUTLIER 'General case' 1 C--N 1.479 6.205 0 O-C-N 120.567 -1.333 . . . . 0.0 109.34 170.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -54.6 87.49 0.01 OUTLIER 'General case' 1 C--N 1.488 6.601 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.686 171.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -68.29 155.05 40.54 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 122.58 1.181 . . . . 0.0 113.288 -170.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.105 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -49.58 147.52 3.43 Favored 'General case' 1 C--N 1.485 6.477 0 CA-C-O 121.795 0.807 . . . . 0.0 111.006 -172.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD22 ' OE2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -79.23 159.07 27.47 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.736 0.779 . . . . 0.0 110.627 172.064 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.05 13.16 9.77 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.337 0.589 . . . . 0.0 110.872 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.678 ' OE2' HD22 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -87.88 -25.52 23.22 Favored 'General case' 1 C--N 1.479 6.232 0 O-C-N 121.653 -0.655 . . . . 0.0 112.467 -171.022 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.516 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.28 8.6 p-10 -130.39 18.69 5.33 Favored 'General case' 1 C--N 1.468 5.72 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -172.965 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.514 ' CG2' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -98.58 145.45 9.93 Favored 'Isoleucine or valine' 1 C--N 1.481 6.315 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.473 -163.415 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t -116.68 -177.52 3.21 Favored 'General case' 1 C--N 1.477 6.138 0 O-C-N 120.235 -1.54 . . . . 0.0 110.881 173.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.072 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.6 m-85 -150.46 133.03 15.74 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.152 -0.968 . . . . 0.0 112.188 -176.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.881 ' HB3' ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -135.37 154.33 51.53 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 121.714 -0.616 . . . . 0.0 110.261 -179.67 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.07 -17.62 61.4 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.419 -1.425 . . . . 0.0 111.918 -175.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.19 166.6 29.37 Favored 'General case' 1 C--N 1.481 6.319 0 CA-C-O 122.837 1.303 . . . . 0.0 112.296 171.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.81 -54.46 9.79 Favored 'General case' 1 C--N 1.483 6.371 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 174.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 t -48.52 -19.45 0.33 Allowed 'General case' 1 C--N 1.479 6.227 0 O-C-N 121.067 -1.021 . . . . 0.0 112.862 -170.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.881 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -77.59 -69.04 0.56 Allowed 'General case' 1 C--N 1.477 6.144 0 O-C-N 121.054 -1.028 . . . . 0.0 111.166 171.975 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.821 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -50.25 -15.72 0.26 Allowed 'General case' 1 C--N 1.48 6.242 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -86.88 -44.36 11.74 Favored 'General case' 1 C--N 1.479 6.202 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 174.804 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.09 -30.36 25.7 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.801 0.81 . . . . 0.0 110.644 171.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.23 89.12 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.875 1.322 . . . . 0.0 108.746 171.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 100.33 46.2 1.88 Allowed Glycine 1 C--N 1.485 8.846 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 171.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.128 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -110.15 -178.14 3.44 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-N 115.089 -0.555 . . . . 0.0 112.15 -171.113 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 98.43 3.57 Favored Pre-proline 1 C--N 1.478 6.185 0 O-C-N 120.936 -1.103 . . . . 0.0 111.242 -171.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.611 ' HD3' ' HE1' ' A' ' 37' ' ' PHE . 54.9 Cg_endo -73.13 103.82 1.67 Allowed 'Trans proline' 1 C--N 1.483 7.624 1 C-N-CA 127.066 5.177 . . . . 0.0 121.415 -177.83 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 38' ' ' CYS 0.26 28.2 p -104.39 93.68 4.93 Favored 'General case' 1 C--N 1.478 6.187 0 CA-C-O 124.191 1.948 . . . . 0.0 108.877 166.241 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 9.7 pttm -65.59 -47.5 75.51 Favored 'General case' 1 C--N 1.496 6.962 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.652 -178.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -78.58 -79.41 0.13 Allowed 'General case' 1 C--N 1.477 6.137 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 168.933 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' CYS . 0.8 OUTLIER 177.89 50.98 0.0 OUTLIER 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.294 1.045 . . . . 0.0 111.009 169.387 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.1 103.92 0.31 Allowed Pre-proline 1 C--N 1.474 5.997 0 CA-C-O 121.998 0.904 . . . . 0.0 113.058 -177.321 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' ASP . 6.3 Cg_endo -94.32 138.98 1.17 Allowed 'Trans proline' 1 C--N 1.478 7.377 1 C-N-CA 127.422 5.415 . . . . 0.0 114.591 179.15 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.5 t0 163.42 84.23 0.0 OUTLIER 'General case' 1 C--N 1.48 6.269 0 O-C-N 121.293 -0.879 . . . . 0.0 111.455 171.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -122.87 -94.65 0.49 Allowed 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.985 -0.447 . . . . 0.0 110.107 171.428 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -29.76 113.5 0.09 Allowed 'General case' 1 C--N 1.475 6.04 0 O-C-N 121.701 -0.624 . . . . 0.0 111.436 170.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 79' ' ' PRO . 51.6 t-20 -40.23 102.0 0.25 Allowed Pre-proline 1 C--N 1.478 6.177 0 CA-C-O 122.05 0.929 . . . . 0.0 111.843 -171.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 78' ' ' ASN . 64.0 Cg_endo -64.62 -36.1 43.96 Favored 'Trans proline' 1 C--N 1.479 7.397 1 C-N-CA 126.298 4.665 . . . . 0.0 114.797 -179.331 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.6 mtm105 -47.61 153.52 0.56 Allowed 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.727 0.775 . . . . 0.0 110.944 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 76.6 153.5 0.14 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.742 0.782 . . . . 0.0 111.0 176.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -90.9 131.82 36.3 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.769 0.795 . . . . 0.0 110.973 -174.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -77.38 139.78 39.79 Favored 'General case' 1 C--N 1.48 6.255 0 CA-C-O 121.772 0.796 . . . . 0.0 111.003 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.96 108.7 20.99 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.826 0.822 . . . . 0.0 111.012 174.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -169.38 166.49 10.37 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.763 0.792 . . . . 0.0 111.041 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.19 85.15 2.44 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.698 0.761 . . . . 0.0 110.982 -176.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 tp -109.05 142.13 22.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.182 0 CA-C-O 121.805 0.812 . . . . 0.0 110.957 173.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 m -107.3 98.84 8.43 Favored 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.77 0.795 . . . . 0.0 110.958 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -126.99 -37.21 2.12 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.732 0.777 . . . . 0.0 110.983 -177.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 51.62 -148.42 0.38 Allowed 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.75 0.786 . . . . 0.0 110.953 173.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.4 t -82.54 -40.96 20.24 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.769 0.795 . . . . 0.0 110.958 -178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 . . . . . 1 C--N 1.479 6.199 0 CA-C-O 122.013 0.911 . . . . 0.0 110.989 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.432 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 121.778 0.799 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 144.31 24.9 Favored 'General case' 1 C--N 1.48 6.241 0 CA-C-O 121.808 0.813 . . . . 0.0 110.953 177.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt 46.22 47.25 13.4 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 121.807 0.813 . . . . 0.0 110.961 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.58 -157.24 0.05 OUTLIER 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.568 0.699 . . . . 0.0 110.976 -172.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m 92.81 -54.51 0.01 OUTLIER 'General case' 1 C--N 1.478 6.18 0 CA-C-O 121.471 0.653 . . . . 0.0 111.389 173.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.93 179.71 6.96 Favored 'General case' 1 C--N 1.478 6.177 0 CA-C-O 122.089 0.947 . . . . 0.0 111.36 -172.131 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.24 113.15 22.02 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.367 1.079 . . . . 0.0 110.672 -178.05 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -76.08 148.04 38.21 Favored 'General case' 1 C--N 1.482 6.366 0 CA-C-O 122.008 0.908 . . . . 0.0 111.263 -172.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -15.87 6.76 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.913 177.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -50.23 41.88 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.793 0.806 . . . . 0.0 110.929 174.598 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -47.94 75.16 Favored 'General case' 1 C--N 1.481 6.292 0 CA-C-O 123.039 1.399 . . . . 0.0 110.521 177.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 12' ' ' ARG . 7.5 mmt85 -42.08 -71.27 0.08 Allowed 'General case' 1 C--N 1.48 6.245 0 CA-C-O 124.491 2.091 . . . . 0.0 113.697 176.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.639 ' HE1' HD21 ' A' ' 17' ' ' LEU . 59.9 t-105 -78.52 -27.3 46.0 Favored 'General case' 1 C--N 1.485 6.478 0 O-C-N 120.275 -1.516 . . . . 0.0 111.615 -169.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -57.63 -26.06 61.04 Favored 'General case' 1 C--N 1.481 6.316 0 CA-C-O 122.544 1.164 . . . . 0.0 109.041 170.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 t -67.77 -41.88 82.58 Favored 'General case' 1 C--N 1.485 6.481 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.143 172.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE3' ' A' ' 13' ' ' TRP 0.255 2.5 t -59.49 -57.53 11.13 Favored 'Isoleucine or valine' 1 C--N 1.494 6.863 0 CA-C-O 121.964 0.888 . . . . 0.0 112.493 171.694 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD21 ' HE1' ' A' ' 13' ' ' TRP . 40.2 mt -48.09 -36.06 12.49 Favored 'General case' 1 C--N 1.476 6.096 0 O-C-N 119.291 -2.131 . . . . 0.0 109.867 176.225 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.2 57.95 4.51 Favored 'General case' 1 C--N 1.488 6.619 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.693 172.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -31.17 -29.82 0.01 OUTLIER 'General case' 1 C--N 1.479 6.225 0 C-N-CA 123.87 0.868 . . . . 0.0 112.514 171.072 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -39.19 141.12 0.67 Allowed Pre-proline 1 C--N 1.478 6.172 0 O-C-N 121.145 -0.972 . . . . 0.0 110.907 175.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -80.82 42.63 1.38 Allowed 'Trans proline' 1 C--N 1.478 7.394 1 C-N-CA 126.737 4.958 . . . . 0.0 115.336 -178.919 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -84.07 -53.29 5.65 Favored 'General case' 1 C--N 1.482 6.352 0 O-C-N 121.219 -0.926 . . . . 0.0 110.93 171.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HB3' ' OG ' ' A' ' 15' ' ' SER . . . -118.99 11.63 12.55 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-O 121.483 0.659 . . . . 0.0 111.389 -172.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.22 -64.89 0.78 Allowed 'General case' 1 C--N 1.479 6.216 0 CA-C-O 122.423 1.106 . . . . 0.0 110.898 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.76 12.91 39.13 Favored Glycine 1 C--N 1.481 8.631 0 O-C-N 121.555 -0.716 . . . . 0.0 111.367 -173.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -92.42 -5.98 50.91 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 121.538 -0.977 . . . . 0.0 111.387 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 15' ' ' SER . 0.1 OUTLIER -169.44 152.62 4.88 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.566 -0.709 . . . . 0.0 111.967 -174.503 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.969 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -106.49 168.46 2.95 Favored 'Isoleucine or valine' 1 C--N 1.481 6.309 0 O-C-N 120.407 -1.433 . . . . 0.0 110.831 -177.482 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HD2' ' CG2' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -140.17 134.69 31.55 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.777 -0.577 . . . . 0.0 110.282 175.913 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.18 90.76 3.32 Favored 'General case' 1 C--N 1.478 6.195 0 O-C-N 121.309 -0.869 . . . . 0.0 111.287 -171.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.053 HG21 ' HB3' ' A' ' 47' ' ' ALA . 8.6 p -74.73 99.87 1.54 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.179 0 CA-C-O 121.548 0.69 . . . . 0.0 110.155 175.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 10.2 ttm180 -85.87 37.42 0.71 Allowed 'General case' 1 C--N 1.481 6.321 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -171.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.3 m -114.32 -38.08 4.19 Favored 'General case' 1 C--N 1.478 6.156 0 O-C-N 121.216 -0.927 . . . . 0.0 110.496 171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -97.53 4.14 50.46 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 171.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' HE1' ' A' ' 66' ' ' PHE . . . 62.65 47.69 87.23 Favored Glycine 1 C--N 1.481 8.589 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 172.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.738 HG13 HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -134.03 136.22 53.86 Favored 'Isoleucine or valine' 1 C--N 1.481 6.325 0 CA-C-O 122.371 1.082 . . . . 0.0 112.141 177.426 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.044 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 2.2 p90 -119.59 125.1 47.97 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.367 172.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.893 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -154.07 161.06 42.18 Favored 'General case' 1 C--N 1.476 6.108 0 O-C-N 120.515 -1.366 . . . . 0.0 111.209 -170.91 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 119.54 77.46 Favored Pre-proline 1 C--N 1.477 6.146 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 170.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -21.26 91.93 0.0 OUTLIER 'Trans proline' 2 C--N 1.475 7.207 1 C-N-CA 127.248 5.299 . . . . 0.0 116.166 -178.216 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -174.53 -21.03 0.01 OUTLIER 'General case' 1 C--N 1.489 6.639 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -36.1 102.42 0.02 OUTLIER 'General case' 1 C--N 1.479 6.202 0 CA-C-N 121.057 1.753 . . . . 0.0 112.703 -171.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 2.8 mtt180 -78.36 -0.94 31.0 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.586 -172.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.59 -173.59 0.01 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 122.941 1.353 . . . . 0.0 110.32 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.9 -27.92 0.02 OUTLIER 'General case' 1 C--N 1.489 6.657 0 CA-C-N 114.084 -1.416 . . . . 0.0 110.457 172.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 59.19 92.36 0.04 OUTLIER 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.45 1.119 . . . . 0.0 110.786 171.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.053 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -60.9 178.47 0.24 Allowed 'General case' 1 C--N 1.483 6.382 0 CA-C-O 121.936 0.874 . . . . 0.0 110.929 -177.032 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.957 HD13 ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -82.2 166.28 19.74 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 121.714 0.769 . . . . 0.0 110.761 -173.527 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -84.14 11.04 8.73 Favored 'General case' 1 C--N 1.479 6.208 0 CA-C-O 121.302 0.572 . . . . 0.0 111.499 174.707 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.957 ' HG3' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -87.19 -13.86 42.76 Favored 'General case' 1 C--N 1.479 6.215 0 O-C-N 121.5 -0.75 . . . . 0.0 112.926 -171.028 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.639 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.273 7.9 p-10 -131.48 15.75 4.95 Favored 'General case' 1 C--N 1.468 5.743 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -174.636 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.737 ' CG2' ' HD2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -96.9 132.33 41.6 Favored 'Isoleucine or valine' 1 C--N 1.478 6.172 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 -162.54 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.9 t -113.62 127.86 56.22 Favored 'General case' 1 C--N 1.478 6.19 0 O-C-N 120.559 -1.338 . . . . 0.0 110.818 -173.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -101.49 138.9 37.89 Favored 'General case' 1 C--N 1.481 6.283 0 CA-C-O 122.954 1.359 . . . . 0.0 112.433 -171.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.969 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.0 m-85 -125.85 165.17 19.18 Favored 'General case' 1 C--N 1.479 6.211 0 C-N-CA 124.705 1.202 . . . . 0.0 110.47 174.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.26 43.65 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 119.127 -2.233 . . . . 0.0 112.566 170.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 17.9 t-20 -148.19 157.75 43.68 Favored 'General case' 1 C--N 1.48 6.278 0 O-C-N 120.798 -1.189 . . . . 0.0 111.834 173.09 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.817 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -70.38 0.02 7.35 Favored 'General case' 1 C--N 1.482 6.34 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.833 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.1 t -59.32 -51.15 71.18 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 122.051 0.929 . . . . 0.0 110.796 172.1 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 3.6 pt-20 -72.06 -36.04 69.47 Favored 'General case' 1 C--N 1.482 6.352 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 176.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.936 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -59.74 -41.24 90.51 Favored 'General case' 1 C--N 1.479 6.214 0 O-C-N 120.611 -1.306 . . . . 0.0 113.69 172.277 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -73.67 -51.77 15.56 Favored 'General case' 1 C--N 1.477 6.148 0 O-C-N 121.156 -0.965 . . . . 0.0 110.2 177.839 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.16 -22.13 6.01 Favored 'General case' 1 C--N 1.48 6.256 0 CA-C-O 121.678 0.752 . . . . 0.0 110.983 171.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.27 -39.41 86.06 Favored 'General case' 1 C--N 1.481 6.29 0 CA-C-O 122.814 1.292 . . . . 0.0 109.162 172.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.43 29.32 4.52 Favored Glycine 1 C--N 1.485 8.834 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 173.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.044 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -101.98 -173.98 2.47 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-N 114.618 -0.791 . . . . 0.0 111.871 -171.775 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.504 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -94.91 98.83 3.54 Favored Pre-proline 1 C--N 1.479 6.239 0 O-C-N 120.343 -1.473 . . . . 0.0 112.195 -171.61 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.737 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 71.3 Cg_exo -56.76 109.41 0.44 Allowed 'Trans proline' 1 C--N 1.482 7.603 1 C-N-CA 127.675 5.583 . . . . 0.0 118.859 -178.625 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.893 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.78 115.52 24.63 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 123.463 1.601 . . . . 0.0 110.601 168.753 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -119.78 25.24 10.11 Favored 'General case' 1 C--N 1.489 6.633 0 CA-C-O 122.51 1.148 . . . . 0.0 110.112 170.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' GLN . 15.9 ttm180 -174.52 46.02 0.01 OUTLIER 'General case' 1 C--N 1.481 6.322 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.842 -172.031 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . 0.265 95.5 m 6.77 56.23 0.0 OUTLIER 'General case' 1 C--N 1.482 6.356 1 CA-C-O 131.109 5.242 . . . . 0.0 107.359 -170.255 . . . . . . . . 4 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.573 ' HB3' ' HD3' ' A' ' 74' ' ' PRO . 1.5 tm0? -40.55 -54.0 5.28 Favored Pre-proline 1 C--N 1.524 8.191 0 CA-C-N 109.24 -3.618 . . . . 0.0 116.488 173.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -28.32 85.81 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.119 1 C-N-CA 126.485 4.79 . . . . 0.0 115.641 -178.459 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.15 70.92 1.05 Allowed 'General case' 1 C--N 1.483 6.38 0 CA-C-O 121.699 0.761 . . . . 0.0 111.063 -178.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -94.3 -18.58 21.49 Favored 'General case' 1 C--N 1.48 6.251 0 O-C-N 121.401 -0.812 . . . . 0.0 111.265 -172.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.54 -71.31 0.02 OUTLIER 'General case' 1 C--N 1.477 6.128 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.54 74.62 0.04 OUTLIER Pre-proline 1 C--N 1.48 6.264 0 CA-C-O 122.35 1.072 . . . . 0.0 111.1 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -68.84 167.5 22.98 Favored 'Trans proline' 1 C--N 1.48 7.448 1 C-N-CA 126.337 4.691 . . . . 0.0 114.656 179.201 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 61.49 75.15 0.42 Allowed 'General case' 1 C--N 1.479 6.201 0 CA-C-O 121.783 0.802 . . . . 0.0 110.952 174.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.08 -68.64 0.18 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.746 0.784 . . . . 0.0 110.981 178.26 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.48 -153.24 0.02 OUTLIER 'General case' 1 C--N 1.478 6.185 0 CA-C-O 121.771 0.796 . . . . 0.0 110.958 -176.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -68.39 114.77 7.12 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.694 0.759 . . . . 0.0 110.95 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.38 28.01 2.52 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.866 0.841 . . . . 0.0 110.981 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 t0 65.67 91.47 0.08 Allowed 'General case' 1 C--N 1.481 6.324 0 CA-C-O 121.787 0.803 . . . . 0.0 110.972 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.62 -79.58 0.22 Allowed 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.761 0.791 . . . . 0.0 110.927 177.166 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.42 179.75 3.62 Favored 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.868 0.842 . . . . 0.0 111.061 176.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 88' ' ' THR . 2.1 t -132.61 36.06 3.57 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.811 0.815 . . . . 0.0 110.995 178.591 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.87 -173.43 3.03 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.822 0.82 . . . . 0.0 110.867 177.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.98 177.63 0.43 Allowed 'General case' 1 C--N 1.48 6.244 0 CA-C-O 121.927 0.87 . . . . 0.0 110.957 177.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -134.93 79.82 1.81 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.768 0.794 . . . . 0.0 111.009 -175.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 1 C--N 1.479 6.222 0 CA-C-O 122.034 0.921 . . . . 0.0 111.015 -173.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 2.8 ttp . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.851 0.834 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.03 -178.59 0.22 Allowed 'General case' 1 C--N 1.481 6.298 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -129.76 98.51 4.83 Favored 'General case' 1 C--N 1.48 6.27 0 CA-C-O 121.825 0.821 . . . . 0.0 111.001 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 5' ' ' THR . . . -75.16 -36.42 61.51 Favored 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.658 0.742 . . . . 0.0 110.983 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 81.84 -14.65 0.77 Allowed 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.182 0.515 . . . . 0.0 111.516 -177.28 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.0 m -80.88 11.83 3.69 Favored 'General case' 1 C--N 1.478 6.185 0 O-C-N 121.461 -0.774 . . . . 0.0 111.605 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.22 66.31 9.49 Favored 'General case' 1 C--N 1.479 6.237 0 O-C-N 121.342 -0.848 . . . . 0.0 110.857 172.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.24 134.47 36.23 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.786 0.803 . . . . 0.0 110.938 -175.207 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -25.11 66.8 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.859 0.838 . . . . 0.0 110.879 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -79.22 -46.01 18.71 Favored 'General case' 1 C--N 1.48 6.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.973 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -43.74 58.76 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 122.476 1.131 . . . . 0.0 110.795 -177.124 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -40.54 -70.75 0.1 Allowed 'General case' 1 C--N 1.481 6.289 0 CA-C-O 124.974 2.321 . . . . 0.0 111.801 172.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.788 ' CZ3' HG11 ' A' ' 16' ' ' VAL . 26.3 t-105 -72.23 -28.23 63.03 Favored 'General case' 1 C--N 1.489 6.672 0 O-C-N 120.471 -1.393 . . . . 0.0 111.34 -170.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.32 -35.56 62.81 Favored 'General case' 1 C--N 1.483 6.406 0 CA-C-O 122.209 1.004 . . . . 0.0 109.299 171.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.567 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 1.2 t -57.96 -41.25 82.5 Favored 'General case' 1 C--N 1.483 6.374 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.442 171.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.788 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.5 t -59.54 -49.74 82.54 Favored 'Isoleucine or valine' 1 C--N 1.492 6.799 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 172.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD21 ' HE1' ' A' ' 13' ' ' TRP . 8.1 mt -50.23 -53.77 25.84 Favored 'General case' 1 C--N 1.474 6.001 0 CA-C-O 123.827 1.775 . . . . 0.0 109.704 178.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -89.53 18.04 5.76 Favored 'General case' 1 C--N 1.486 6.533 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.724 -171.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 3.62 49.18 0.0 OUTLIER 'General case' 1 C--N 1.476 6.085 0 C-N-CA 126.895 2.078 . . . . 0.0 115.329 -166.982 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ALA . 5.1 t70 -89.83 128.6 49.61 Favored Pre-proline 1 C--N 1.485 6.473 0 O-C-N 120.672 -1.267 . . . . 0.0 111.457 171.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -83.97 34.59 0.53 Allowed 'Trans proline' 2 C--N 1.475 7.205 1 C-N-CA 125.892 4.395 . . . . 0.0 113.766 178.003 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.99 -51.26 5.7 Favored 'General case' 1 C--N 1.485 6.459 0 CA-C-O 122.487 1.137 . . . . 0.0 110.75 -171.161 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.73 -77.17 0.15 Allowed 'General case' 1 C--N 1.483 6.383 0 CA-C-O 122.235 1.017 . . . . 0.0 110.458 -173.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' CG ' ' A' ' 27' ' ' PHE . 1.2 m-20 -86.71 99.89 12.09 Favored 'General case' 1 C--N 1.479 6.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.023 -171.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -24.49 -55.18 0.05 OUTLIER Glycine 1 C--N 1.478 8.447 0 C-N-CA 124.132 0.872 . . . . 0.0 114.333 -171.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -157.49 41.87 0.31 Allowed 'General case' 1 C--N 1.479 6.198 0 O-C-N 121.571 -0.959 . . . . 0.0 110.987 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' HZ ' ' HB3' ' A' ' 15' ' ' SER . 0.0 OUTLIER -63.5 154.07 33.55 Favored 'General case' 1 C--N 1.48 6.269 0 O-C-N 121.595 -0.691 . . . . 0.0 111.193 -172.092 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -105.68 161.58 5.21 Favored 'Isoleucine or valine' 1 C--N 1.482 6.342 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -176.301 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 1.3 p90 -140.4 133.56 29.56 Favored 'General case' 1 C--N 1.483 6.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.354 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 66' ' ' PHE . . . -124.6 102.86 7.82 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 121.368 -0.832 . . . . 0.0 110.937 -172.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.073 HG21 ' HB1' ' A' ' 47' ' ' ALA . 5.5 p -88.81 100.32 10.45 Favored 'Isoleucine or valine' 1 C--N 1.478 6.192 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 174.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 41.7 ttp180 -88.23 59.18 5.12 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 121.464 0.65 . . . . 0.0 112.352 -173.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.33 -45.11 2.35 Favored 'General case' 1 C--N 1.479 6.21 0 O-C-N 120.405 -1.434 . . . . 0.0 110.638 171.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -100.33 -19.07 16.49 Favored 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 171.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.9 61.44 1.15 Allowed Glycine 1 C--N 1.48 8.537 0 O-C-N 121.952 -0.468 . . . . 0.0 112.784 172.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -135.03 133.21 53.5 Favored 'Isoleucine or valine' 1 C--N 1.478 6.189 0 O-C-N 121.16 -1.2 . . . . 0.0 110.714 171.411 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.007 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.2 p90 -113.41 115.1 27.55 Favored 'General case' 1 C--N 1.477 6.15 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 171.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' CYS . 53.1 t -135.01 160.77 37.28 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 120.212 -1.555 . . . . 0.0 111.918 -170.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -75.09 107.84 4.57 Favored Pre-proline 1 C--N 1.475 6.051 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 167.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.655 ' HB3' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -17.86 93.04 0.0 OUTLIER 'Trans proline' 2 C--N 1.473 7.084 1 C-N-CA 126.959 5.106 . . . . 0.0 117.322 -176.738 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 p -168.29 -56.82 0.02 OUTLIER 'General case' 1 C--N 1.49 6.688 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 1.9 m 0.49 82.8 0.0 OUTLIER 'General case' 1 C--N 1.483 6.411 0 CA-C-O 123.931 1.824 . . . . 0.0 113.871 -168.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 0.36 -81.46 0.0 OUTLIER 'General case' 1 C--N 1.485 6.472 0 C-N-CA 126.53 1.932 . . . . 0.0 115.063 171.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.2 179.62 0.1 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 122.673 1.225 . . . . 0.0 110.892 -170.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.81 91.96 0.01 OUTLIER 'General case' 1 C--N 1.487 6.584 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.518 176.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -161.76 0.04 OUTLIER 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.942 0.877 . . . . 0.0 111.557 -171.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.073 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -83.71 166.97 17.62 Favored 'General case' 1 C--N 1.48 6.253 0 CA-C-O 121.852 0.834 . . . . 0.0 110.847 -172.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -82.52 157.51 23.52 Favored 'General case' 1 C--N 1.48 6.266 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 172.234 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HG2' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -75.91 -1.85 27.44 Favored 'General case' 1 C--N 1.482 6.365 0 O-C-N 121.663 -0.648 . . . . 0.0 111.409 175.886 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -24.92 56.74 Favored 'General case' 1 C--N 1.478 6.188 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -169.147 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.802 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.257 5.7 p-10 -131.42 17.75 4.87 Favored 'General case' 1 C--N 1.467 5.71 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -171.915 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.719 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.93 150.0 4.93 Favored 'Isoleucine or valine' 1 C--N 1.478 6.184 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.195 -163.226 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.3 t -129.99 127.88 40.91 Favored 'General case' 1 C--N 1.476 6.092 0 CA-C-N 120.953 1.706 . . . . 0.0 111.98 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -103.19 132.71 49.24 Favored 'General case' 1 C--N 1.483 6.386 0 CA-C-O 122.637 1.208 . . . . 0.0 111.907 -172.076 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.011 ' HB2' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -123.34 164.55 18.6 Favored 'General case' 1 C--N 1.478 6.165 0 C-N-CA 124.373 1.069 . . . . 0.0 110.624 172.682 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.55 -28.76 46.08 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 119.521 -1.987 . . . . 0.0 112.545 170.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.755 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 12.6 t-20 -145.7 147.2 31.69 Favored 'General case' 1 C--N 1.479 6.205 0 O-C-N 121.062 -1.024 . . . . 0.0 111.669 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.07 -36.01 17.31 Favored 'General case' 1 C--N 1.48 6.267 0 O-C-N 121.744 -0.598 . . . . 0.0 111.85 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.49 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.7 m -42.55 -46.88 5.04 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.066 0.936 . . . . 0.0 111.621 -171.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.755 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.2 pt-20 -70.67 -39.98 73.24 Favored 'General case' 1 C--N 1.48 6.268 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -60.96 -32.64 72.17 Favored 'General case' 1 C--N 1.479 6.197 0 O-C-N 120.78 -1.2 . . . . 0.0 113.798 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -76.68 -42.42 41.73 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 120.708 -1.245 . . . . 0.0 110.486 171.744 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 60' ' ' GLU . . . -53.83 -26.2 23.14 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-O 122.035 0.922 . . . . 0.0 110.413 171.126 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -67.75 -38.16 83.09 Favored 'General case' 1 C--N 1.482 6.341 0 CA-C-O 122.867 1.317 . . . . 0.0 109.234 171.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.47 34.4 3.36 Favored Glycine 1 C--N 1.484 8.796 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 172.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -104.03 -175.01 2.68 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-N 114.847 -0.677 . . . . 0.0 112.187 -171.423 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -96.77 105.84 26.16 Favored Pre-proline 1 C--N 1.48 6.257 0 CA-C-O 122.3 1.048 . . . . 0.0 112.727 -171.804 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 66' ' ' PHE . 59.8 Cg_exo -50.11 114.54 1.45 Allowed 'Trans proline' 1 C--N 1.483 7.652 1 C-N-CA 126.89 5.06 . . . . 0.0 114.908 179.489 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 12.9 t -125.79 97.68 5.24 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.411 2.053 . . . . 0.0 109.313 171.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -76.45 -92.6 0.03 OUTLIER 'General case' 1 C--N 1.496 6.948 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.902 -171.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.59 -69.95 0.15 Allowed 'General case' 1 C--N 1.478 6.154 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 171.024 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 178.84 67.79 0.01 OUTLIER 'General case' 1 C--N 1.479 6.226 0 CA-C-O 124.315 2.007 . . . . 0.0 109.718 168.993 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 1.058 ' HB3' ' CD ' ' A' ' 74' ' ' PRO . 6.6 tp-100 -41.07 -99.25 0.0 OUTLIER Pre-proline 1 C--N 1.476 6.102 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -169.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 1.058 ' CD ' ' HB3' ' A' ' 73' ' ' GLN . 7.4 Cg_exo -74.46 175.42 11.06 Favored 'Trans proline' 1 C--N 1.477 7.302 1 C-N-CA 127.515 5.476 . . . . 0.0 118.13 -176.798 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.75 -68.32 0.41 Allowed 'General case' 1 C--N 1.485 6.49 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.726 171.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -46.32 5.48 Favored 'General case' 1 C--N 1.481 6.316 0 O-C-N 121.64 -0.662 . . . . 0.0 111.522 -175.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.8 71.87 0.01 OUTLIER 'General case' 1 C--N 1.475 6.025 0 CA-C-O 121.59 0.71 . . . . 0.0 112.471 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.623 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 50.6 m-80 44.13 48.19 4.14 Favored Pre-proline 1 C--N 1.478 6.182 0 CA-C-O 121.713 0.768 . . . . 0.0 111.366 172.207 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 73.5 Cg_exo -54.92 -147.76 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.369 1 C-N-CA 126.814 5.009 . . . . 0.0 114.554 179.257 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.69 146.52 18.03 Favored 'General case' 1 C--N 1.477 6.138 0 CA-C-O 121.667 0.746 . . . . 0.0 110.549 174.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 177.55 109.51 0.03 OUTLIER 'General case' 1 C--N 1.478 6.179 0 CA-C-O 121.699 0.761 . . . . 0.0 110.722 -171.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -86.59 -87.75 0.13 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.771 0.796 . . . . 0.0 111.018 -177.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.79 150.77 1.73 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.768 0.794 . . . . 0.0 110.929 -173.126 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tp -91.3 139.26 30.9 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.787 0.803 . . . . 0.0 110.996 -176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -122.13 175.1 6.54 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 122.079 0.942 . . . . 0.0 111.306 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.84 27.46 6.47 Favored 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.802 0.811 . . . . 0.0 111.008 -174.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 tp -153.44 43.0 0.06 OUTLIER 'Isoleucine or valine' 1 C--N 1.479 6.23 0 CA-C-O 121.745 0.783 . . . . 0.0 110.996 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.94 21.84 7.47 Favored 'General case' 1 C--N 1.479 6.215 0 CA-C-O 121.645 0.736 . . . . 0.0 111.227 -179.224 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.528 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.3 t-80 -102.26 -141.81 0.35 Allowed 'General case' 1 C--N 1.479 6.198 0 CA-C-O 121.447 0.642 . . . . 0.0 110.876 174.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 89' ' ' HIS . . . 78.99 -173.1 0.06 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.714 0.768 . . . . 0.0 110.871 173.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.96 -27.04 0.81 Allowed 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.733 0.778 . . . . 0.0 110.909 177.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--N 1.479 6.197 0 CA-C-O 121.99 0.9 . . . . 0.0 111.05 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.797 0.808 . . . . 0.0 110.973 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -125.91 42.58 3.27 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.775 0.798 . . . . 0.0 111.04 -173.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.66 -175.0 5.02 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.789 0.804 . . . . 0.0 111.045 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.18 112.77 16.72 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.817 0.818 . . . . 0.0 111.004 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -49.57 153.48 1.14 Allowed 'General case' 1 C--N 1.48 6.259 0 CA-C-O 121.749 0.785 . . . . 0.0 110.932 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.82 -170.57 2.73 Favored 'General case' 1 C--N 1.479 6.211 0 CA-C-O 121.752 0.786 . . . . 0.0 111.025 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mp -47.73 102.46 0.03 OUTLIER 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.905 0.86 . . . . 0.0 110.949 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.75 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -77.14 135.1 38.53 Favored 'General case' 1 C--N 1.481 6.303 0 CA-C-O 121.863 0.839 . . . . 0.0 111.097 -173.235 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -25.51 23.81 Favored 'General case' 1 C--N 1.48 6.279 0 CA-C-O 121.837 0.827 . . . . 0.0 110.804 172.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -49.35 63.25 Favored 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.904 0.859 . . . . 0.0 110.885 -176.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 3.6 mt-30 -63.12 -44.13 96.47 Favored 'General case' 1 C--N 1.482 6.36 0 CA-C-O 122.505 1.145 . . . . 0.0 110.722 -178.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.92 -73.4 0.05 OUTLIER 'General case' 1 C--N 1.479 6.206 0 CA-C-O 124.757 2.218 . . . . 0.0 112.736 174.059 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.728 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 50.2 t-105 -75.54 -27.53 58.7 Favored 'General case' 1 C--N 1.488 6.598 0 O-C-N 120.354 -1.466 . . . . 0.0 111.338 -169.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -63.52 -27.16 69.08 Favored 'General case' 1 C--N 1.482 6.346 0 CA-C-O 122.207 1.003 . . . . 0.0 108.896 170.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.476 ' HB3' ' HZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -57.52 -36.97 72.25 Favored 'General case' 1 C--N 1.486 6.505 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.396 170.948 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.684 HG13 ' HB3' ' A' ' 40' ' ' PRO . 1.8 t -73.9 -60.75 2.1 Favored 'Isoleucine or valine' 1 C--N 1.5 7.133 0 N-CA-C 116.992 2.219 . . . . 0.0 116.992 171.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HG ' ' NE1' ' A' ' 13' ' ' TRP . 8.8 mt -39.06 -42.2 0.87 Allowed 'General case' 1 C--N 1.477 6.118 0 O-C-N 119.286 -2.134 . . . . 0.0 108.92 -170.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.73 -104.68 0.07 Allowed 'General case' 1 C--N 1.485 6.493 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.806 171.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 tpp85 177.57 19.7 0.0 OUTLIER 'General case' 1 C--N 1.486 6.503 0 O-C-N 121.229 -0.919 . . . . 0.0 111.19 -168.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 14.5 t0 -53.05 118.37 13.64 Favored Pre-proline 1 C--N 1.477 6.119 0 O-C-N 119.455 -2.028 . . . . 0.0 114.775 -166.733 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 20' ' ' ASP . 52.6 Cg_exo -58.12 -43.51 47.19 Favored 'Trans proline' 1 C--N 1.48 7.499 1 C-N-CA 126.615 4.877 . . . . 0.0 113.909 178.867 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -50.48 45.17 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.838 0.828 . . . . 0.0 110.904 -173.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.47 -12.91 60.01 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.139 0.495 . . . . 0.0 111.272 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 5.1 m-20 -77.43 -95.22 0.03 OUTLIER 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.845 0.831 . . . . 0.0 110.636 -176.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.5 -80.34 1.04 Allowed Glycine 1 C--N 1.474 8.237 0 N-CA-C 104.979 -3.248 . . . . 0.0 104.979 171.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -160.8 21.74 0.14 Allowed 'General case' 1 C--N 1.476 6.087 0 CA-C-N 114.14 -1.03 . . . . 0.0 110.986 168.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE1' ' HA ' ' A' ' 24' ' ' ASP . 10.2 p90 -67.85 148.94 50.49 Favored 'General case' 1 C--N 1.482 6.347 0 O-C-N 121.26 -0.9 . . . . 0.0 111.965 -170.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.861 HG22 ' HB2' ' A' ' 55' ' ' TYR . 4.2 m -115.12 157.91 15.63 Favored 'Isoleucine or valine' 1 C--N 1.477 6.125 0 O-C-N 120.695 -1.253 . . . . 0.0 109.954 -171.05 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HD2' ' HD3' ' A' ' 40' ' ' PRO . 14.0 p90 -137.88 132.52 32.61 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 119.999 -1.688 . . . . 0.0 110.289 -176.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -114.92 92.66 4.01 Favored 'General case' 1 C--N 1.479 6.228 0 O-C-N 121.119 -0.988 . . . . 0.0 111.346 -172.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.942 HG21 ' CB ' ' A' ' 47' ' ' ALA . 7.2 p -76.05 101.77 2.7 Favored 'Isoleucine or valine' 1 C--N 1.479 6.211 0 O-C-N 121.719 -0.613 . . . . 0.0 110.805 173.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 90.9 mtt-85 -87.76 44.56 1.2 Allowed 'General case' 1 C--N 1.478 6.188 0 O-C-N 121.708 -0.62 . . . . 0.0 112.61 -173.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.424 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 1.4 m -108.66 -47.85 3.41 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.783 -1.198 . . . . 0.0 110.518 -179.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.6 m -106.66 -17.65 14.17 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.634 0.731 . . . . 0.0 110.679 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 65.02 0.83 Allowed Glycine 1 C--N 1.48 8.536 0 O-C-N 121.914 -0.491 . . . . 0.0 113.18 171.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -135.51 125.94 43.45 Favored 'Isoleucine or valine' 1 C--N 1.48 6.259 0 O-C-N 121.081 -1.247 . . . . 0.0 112.529 171.322 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.894 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -100.16 105.14 16.71 Favored 'General case' 1 C--N 1.477 6.11 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.394 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.783 ' HB2' ' CB ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER -124.33 152.27 43.32 Favored 'General case' 1 C--N 1.477 6.12 0 O-C-N 120.001 -1.687 . . . . 0.0 114.708 -167.837 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.93 107.61 5.16 Favored Pre-proline 1 C--N 1.476 6.084 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 167.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.706 ' HD3' ' HD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -21.04 88.99 0.0 OUTLIER 'Trans proline' 1 C--N 1.473 7.096 1 C-N-CA 127.748 5.632 . . . . 0.0 118.133 -177.448 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.95 17.53 0.0 OUTLIER 'General case' 1 C--N 1.484 6.442 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 171.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.62 103.25 0.06 Allowed 'General case' 1 C--N 1.482 6.348 0 CA-C-N 122.05 2.205 . . . . 0.0 109.675 -177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.39 -17.29 61.82 Favored 'General case' 1 C--N 1.478 6.155 0 C-N-CA 123.237 0.615 . . . . 0.0 112.634 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.77 -175.57 5.64 Favored 'General case' 1 C--N 1.478 6.162 0 CA-C-O 122.395 1.093 . . . . 0.0 110.087 171.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -53.33 89.41 0.01 OUTLIER 'General case' 1 C--N 1.486 6.523 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.363 172.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -82.86 -163.91 0.79 Allowed 'General case' 1 C--N 1.478 6.178 0 CA-C-O 122.027 0.918 . . . . 0.0 111.989 -171.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.942 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -102.03 161.03 13.99 Favored 'General case' 1 C--N 1.481 6.296 0 CA-C-O 121.936 0.874 . . . . 0.0 111.289 -172.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.552 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -85.78 159.19 19.81 Favored 'General case' 1 C--N 1.48 6.261 0 CA-C-O 121.592 0.71 . . . . 0.0 110.827 179.348 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.2 tmm_? -74.18 -5.34 41.26 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.601 0.715 . . . . 0.0 111.686 176.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 2.0 mm-40 -72.65 -24.26 61.01 Favored 'General case' 1 C--N 1.479 6.211 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -168.575 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.76 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.266 6.9 p-10 -130.36 17.26 5.44 Favored 'General case' 1 C--N 1.467 5.675 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -175.49 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.752 HG23 ' HB ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -97.63 139.04 20.81 Favored 'Isoleucine or valine' 1 C--N 1.479 6.22 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.61 -162.69 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -100.82 172.68 6.91 Favored 'General case' 1 C--N 1.478 6.171 0 O-C-N 120.874 -1.141 . . . . 0.0 110.789 175.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.728 ' HZ ' ' HB2' ' A' ' 13' ' ' TRP . 87.3 m-85 -140.6 138.15 34.19 Favored 'General case' 1 C--N 1.482 6.336 0 CA-C-O 122.853 1.311 . . . . 0.0 112.247 177.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.922 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -136.01 163.08 31.11 Favored 'General case' 1 C--N 1.478 6.176 0 C-N-CA 124.426 1.091 . . . . 0.0 110.003 174.299 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.86 -30.61 56.35 Favored 'General case' 1 C--N 1.48 6.262 0 O-C-N 119.323 -2.111 . . . . 0.0 112.657 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 23.7 t-20 -142.24 150.3 40.75 Favored 'General case' 1 C--N 1.479 6.218 0 CA-C-O 122.002 0.906 . . . . 0.0 111.62 -176.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HE1' ' A' ' 37' ' ' PHE . . . -66.47 -19.18 65.72 Favored 'General case' 1 C--N 1.482 6.349 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.45 -31.98 71.95 Favored 'General case' 1 C--N 1.478 6.153 0 O-C-N 121.254 -0.904 . . . . 0.0 110.649 177.956 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.642 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -67.43 -58.18 5.22 Favored 'General case' 1 C--N 1.481 6.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.213 173.547 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.922 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -51.17 -25.62 5.62 Favored 'General case' 1 C--N 1.481 6.286 0 O-C-N 121.646 -0.659 . . . . 0.0 112.59 178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -77.42 -43.91 30.93 Favored 'General case' 1 C--N 1.478 6.172 0 O-C-N 121.21 -0.931 . . . . 0.0 110.837 173.045 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.94 -34.86 13.71 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.571 0.7 . . . . 0.0 111.47 171.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.81 81.19 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 122.417 1.103 . . . . 0.0 109.82 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 97.86 36.73 4.66 Favored Glycine 1 C--N 1.484 8.772 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 175.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.894 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -101.12 -172.13 2.12 Favored 'General case' 1 C--N 1.48 6.243 0 O-C-N 122.329 -0.512 . . . . 0.0 111.901 -171.877 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 37' ' ' PHE . 2.1 tpt180 -96.2 105.03 19.4 Favored Pre-proline 1 C--N 1.478 6.181 0 O-C-N 120.67 -1.269 . . . . 0.0 111.958 -171.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.593 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 43.9 Cg_endo -60.2 98.27 0.12 Allowed 'Trans proline' 1 C--N 1.481 7.534 1 C-N-CA 127.109 5.206 . . . . 0.0 116.713 -178.85 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.783 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -80.11 101.9 9.03 Favored 'General case' 1 C--N 1.481 6.287 0 O-C-N 120.761 -1.212 . . . . 0.0 110.049 171.085 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.22 -89.45 0.03 OUTLIER 'General case' 1 C--N 1.486 6.502 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.634 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -62.44 -73.23 0.11 Allowed 'General case' 1 C--N 1.477 6.15 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.851 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.95 75.06 0.01 OUTLIER 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.799 1.285 . . . . 0.0 110.667 169.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.99 132.35 1.14 Allowed Pre-proline 1 C--N 1.475 6.058 0 CA-C-O 122.218 1.008 . . . . 0.0 111.542 -179.626 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -45.05 -76.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.482 7.587 1 C-N-CA 126.661 4.907 . . . . 0.0 115.924 -179.01 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 30.3 46.12 0.03 OUTLIER 'General case' 1 C--N 1.489 6.64 0 CA-C-O 122.309 1.052 . . . . 0.0 110.441 -171.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.94 -170.25 2.91 Favored 'General case' 1 C--N 1.478 6.163 0 CA-C-O 122.365 1.079 . . . . 0.0 111.353 -171.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -19.76 87.19 0.0 OUTLIER 'General case' 1 C--N 1.479 6.217 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -176.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 42.8 86.22 0.14 Allowed Pre-proline 1 C--N 1.478 6.194 0 CA-C-O 122.042 0.925 . . . . 0.0 112.018 171.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -41.22 -37.08 2.76 Favored 'Trans proline' 1 C--N 1.478 7.378 1 C-N-CA 126.341 4.694 . . . . 0.0 114.883 -179.628 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.88 158.75 6.15 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.688 0.756 . . . . 0.0 111.058 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 171.2 0.02 OUTLIER 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.919 0.866 . . . . 0.0 111.447 177.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -95.75 67.61 2.78 Favored 'General case' 1 C--N 1.48 6.246 0 CA-C-O 121.747 0.784 . . . . 0.0 111.029 -172.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 1.4 mmt180 47.14 60.01 3.69 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.753 0.787 . . . . 0.0 111.021 172.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 11.1 mt 75.12 115.97 0.06 Allowed 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.804 0.811 . . . . 0.0 110.946 176.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -136.35 -42.65 0.63 Allowed 'General case' 1 C--N 1.479 6.227 0 CA-C-O 121.776 0.798 . . . . 0.0 110.994 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 113.79 19.21 Favored 'General case' 1 C--N 1.479 6.232 0 CA-C-O 121.785 0.802 . . . . 0.0 110.972 177.254 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.26 96.8 1.76 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.217 0 CA-C-O 121.765 0.793 . . . . 0.0 110.97 174.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.6 p -101.38 -13.18 18.1 Favored 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 177.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.58 96.12 7.43 Favored 'General case' 1 C--N 1.479 6.202 0 CA-C-O 121.831 0.824 . . . . 0.0 111.14 -174.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.27 34.98 0.38 Allowed 'General case' 1 C--N 1.48 6.264 0 CA-C-O 121.781 0.8 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.4 m -114.92 158.27 22.23 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.751 0.786 . . . . 0.0 111.007 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 1 C--N 1.479 6.199 0 CA-C-O 121.999 0.904 . . . . 0.0 111.004 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.79 0.805 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 113.86 22.22 Favored 'General case' 1 C--N 1.48 6.25 0 CA-C-O 121.79 0.805 . . . . 0.0 111.017 176.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.62 161.19 0.21 Allowed 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.763 0.792 . . . . 0.0 110.928 -175.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.7 147.11 30.75 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.801 0.81 . . . . 0.0 110.942 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.58 130.82 34.35 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.666 0.746 . . . . 0.0 110.96 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -74.06 -22.16 59.65 Favored 'General case' 1 C--N 1.479 6.21 0 CA-C-O 121.786 0.803 . . . . 0.0 111.04 -173.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -62.68 98.71 0.13 Allowed 'General case' 1 C--N 1.479 6.214 0 CA-C-O 121.797 0.808 . . . . 0.0 110.903 173.865 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' HG3' ' A' ' 11' ' ' GLN . 1.4 p -108.56 145.34 34.98 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.813 0.815 . . . . 0.0 111.332 -172.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -22.31 0.55 Allowed 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.872 0.844 . . . . 0.0 110.722 171.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.21 -54.32 18.59 Favored 'General case' 1 C--N 1.48 6.26 0 CA-C-O 121.952 0.882 . . . . 0.0 111.054 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' ' 8' ' ' THR . 2.9 mt-30 -65.88 -36.88 84.65 Favored 'General case' 1 C--N 1.481 6.313 0 CA-C-O 122.739 1.257 . . . . 0.0 110.591 -176.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' SER . 5.7 mmt-85 -45.77 -70.95 0.08 Allowed 'General case' 1 C--N 1.479 6.223 0 CA-C-O 125.264 2.459 . . . . 0.0 112.431 171.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.634 ' HA ' HG23 ' A' ' 16' ' ' VAL . 28.8 t-105 -71.36 -22.37 61.91 Favored 'General case' 1 C--N 1.494 6.879 0 O-C-N 120.361 -1.462 . . . . 0.0 109.746 -171.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -39.88 83.3 Favored 'General case' 1 C--N 1.483 6.387 0 CA-C-O 121.825 0.822 . . . . 0.0 108.893 170.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.583 ' HB3' ' CB ' ' A' ' 20' ' ' ASP . 5.2 m -42.89 -55.48 3.69 Favored 'General case' 1 C--N 1.487 6.555 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.634 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -60.43 -53.61 46.43 Favored 'Isoleucine or valine' 1 C--N 1.495 6.914 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD21 ' HE1' ' A' ' 13' ' ' TRP . 13.6 mt -42.38 -44.65 4.04 Favored 'General case' 1 C--N 1.477 6.119 0 CA-C-O 123.885 1.802 . . . . 0.0 109.603 -177.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.11 -98.62 0.02 OUTLIER 'General case' 1 C--N 1.489 6.631 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.294 -176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.06 31.55 0.0 OUTLIER 'General case' 1 C--N 1.48 6.279 0 O-C-N 121.762 -0.586 . . . . 0.0 110.658 -169.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.583 ' CB ' ' HB3' ' A' ' 15' ' ' SER . 0.2 OUTLIER -40.26 140.78 0.91 Allowed Pre-proline 1 C--N 1.478 6.161 0 CA-C-O 122.008 0.909 . . . . 0.0 111.814 -170.307 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -28.61 -101.76 0.0 OUTLIER 'Trans proline' 2 C--N 1.477 7.331 1 C-N-CA 126.376 4.717 . . . . 0.0 114.654 -179.299 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.25 -76.54 0.44 Allowed 'General case' 1 C--N 1.474 6.003 0 CA-C-O 124.289 1.995 . . . . 0.0 108.023 171.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.884 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . . . -159.83 98.24 1.34 Allowed 'General case' 1 C--N 1.483 6.412 0 C-N-CA 124.924 1.289 . . . . 0.0 109.305 168.279 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -35.55 114.62 0.27 Allowed 'General case' 1 C--N 1.478 6.174 0 CA-C-O 124.851 2.263 . . . . 0.0 109.969 -171.495 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.49 -90.14 1.51 Allowed Glycine 1 C--N 1.483 8.711 0 N-CA-C 103.429 -3.868 . . . . 0.0 103.429 -178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.76 24.72 0.1 Allowed 'General case' 1 C--N 1.471 5.864 0 CA-C-N 113.591 -1.304 . . . . 0.0 109.597 165.026 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -63.58 160.89 15.73 Favored 'General case' 1 C--N 1.492 6.791 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -168.844 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.051 HG23 ' HD1' ' A' ' 55' ' ' TYR . 4.9 m -146.41 152.28 13.74 Favored 'Isoleucine or valine' 1 C--N 1.488 6.624 0 O-C-N 121.025 -1.047 . . . . 0.0 109.725 -171.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.964 ' HE1' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -132.24 145.07 51.07 Favored 'General case' 1 C--N 1.476 6.08 0 O-C-N 120.67 -1.269 . . . . 0.0 109.716 -171.938 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.23 100.82 6.24 Favored 'General case' 1 C--N 1.477 6.133 0 CA-C-O 121.846 0.832 . . . . 0.0 110.801 -171.51 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 47' ' ' ALA . 3.4 p -86.62 103.15 12.75 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.882 0.848 . . . . 0.0 110.341 175.172 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -80.52 23.74 0.5 Allowed 'General case' 1 C--N 1.483 6.393 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -171.572 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -107.42 -35.19 6.84 Favored 'General case' 1 C--N 1.478 6.178 0 O-C-N 120.778 -1.201 . . . . 0.0 110.766 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -97.48 -2.89 41.0 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.117 0.484 . . . . 0.0 111.218 172.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.68 43.65 96.05 Favored Glycine 1 C--N 1.48 8.534 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' C ' ' CE2' ' A' ' 66' ' ' PHE . 1.3 pt -136.13 141.47 41.49 Favored 'Isoleucine or valine' 1 C--N 1.48 6.272 0 O-C-N 121.602 -0.94 . . . . 0.0 111.733 172.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.124 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 7.7 p90 -114.93 124.37 51.51 Favored 'General case' 1 C--N 1.478 6.168 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.424 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.964 ' HB3' ' HE1' ' A' ' 29' ' ' PHE . 41.8 t -138.03 162.92 32.86 Favored 'General case' 1 C--N 1.476 6.068 0 O-C-N 120.531 -1.356 . . . . 0.0 112.824 -170.022 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.884 ' HG3' ' HB2' ' A' ' 23' ' ' ALA . 16.8 ttp85 -82.48 121.79 78.44 Favored Pre-proline 1 C--N 1.475 6.048 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 165.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -18.79 99.9 0.01 OUTLIER 'Trans proline' 2 C--N 1.47 6.944 1 C-N-CA 127.387 5.391 . . . . 0.0 116.693 -177.579 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 p -178.15 -58.32 0.01 OUTLIER 'General case' 1 C--N 1.487 6.548 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m 0.57 90.09 0.01 OUTLIER 'General case' 1 C--N 1.482 6.328 0 CA-C-O 123.967 1.841 . . . . 0.0 114.54 -167.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' H ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -17.56 -44.67 0.0 OUTLIER 'General case' 1 C--N 1.487 6.55 0 C-N-CA 126.552 1.941 . . . . 0.0 114.019 170.972 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.4 -178.18 0.03 OUTLIER 'General case' 1 C--N 1.477 6.132 0 CA-C-O 123.396 1.57 . . . . 0.0 111.077 -171.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 46' ' ' HIS . 2.7 tpm_? -51.78 -12.42 0.2 Allowed 'General case' 1 C--N 1.488 6.61 0 CA-C-N 114.242 -1.345 . . . . 0.0 111.785 -175.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.523 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER 86.02 151.37 0.07 Allowed 'General case' 1 C--N 1.478 6.154 0 CA-C-O 121.976 0.893 . . . . 0.0 111.276 171.049 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 31' ' ' VAL . . . -86.2 142.58 28.51 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 121.663 0.744 . . . . 0.0 110.863 -172.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -66.35 142.77 57.51 Favored 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.523 0.677 . . . . 0.0 110.548 172.075 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -78.31 3.83 14.47 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.14 0.495 . . . . 0.0 111.713 175.664 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.22 -15.91 36.84 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.459 -0.776 . . . . 0.0 112.567 -171.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.526 HD21 HG22 ' A' ' 31' ' ' VAL 0.275 8.2 p-10 -132.27 15.43 4.59 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -176.844 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.5 142.63 14.8 Favored 'Isoleucine or valine' 1 C--N 1.48 6.256 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.443 -163.089 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' ALA . 7.7 t -127.14 139.94 52.61 Favored 'General case' 1 C--N 1.477 6.128 0 O-C-N 120.14 -1.6 . . . . 0.0 111.495 -177.359 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.799 ' HE1' ' HB3' ' A' ' 29' ' ' PHE . 2.2 m-85 -109.86 155.64 21.41 Favored 'General case' 1 C--N 1.488 6.602 0 CA-C-O 123.246 1.498 . . . . 0.0 113.468 -170.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.051 ' HD1' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -149.23 158.42 44.17 Favored 'General case' 1 C--N 1.482 6.357 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.941 -179.793 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -19.51 59.14 Favored 'General case' 1 C--N 1.479 6.213 0 O-C-N 120.128 -1.608 . . . . 0.0 112.16 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.64 174.77 14.08 Favored 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.088 -1.008 . . . . 0.0 111.464 171.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -63.72 -47.77 79.75 Favored 'General case' 1 C--N 1.481 6.291 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.51 -177.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -52.3 -14.94 0.51 Allowed 'General case' 1 C--N 1.478 6.192 0 CA-C-O 121.366 0.603 . . . . 0.0 111.392 -171.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.889 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -80.52 -63.05 1.49 Allowed 'General case' 1 C--N 1.479 6.196 0 CA-C-O 121.539 0.685 . . . . 0.0 111.484 172.882 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . . . -49.43 -13.84 0.09 Allowed 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.693 -0.63 . . . . 0.0 112.165 172.377 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -84.13 -49.17 9.11 Favored 'General case' 1 C--N 1.478 6.169 0 O-C-N 121.091 -1.006 . . . . 0.0 110.476 171.764 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.38 5.36 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.531 0.681 . . . . 0.0 111.313 171.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.01 -40.35 75.29 Favored 'General case' 1 C--N 1.48 6.243 0 CA-C-O 122.826 1.298 . . . . 0.0 109.446 172.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 107.12 25.15 6.23 Favored Glycine 1 C--N 1.484 8.756 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 172.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.124 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -89.35 -172.97 3.82 Favored 'General case' 1 C--N 1.48 6.268 0 CA-C-N 114.911 -0.645 . . . . 0.0 112.037 -171.802 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.17 111.48 56.61 Favored Pre-proline 1 C--N 1.479 6.198 0 O-C-N 121.044 -1.035 . . . . 0.0 111.752 -172.216 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 82.8 Cg_exo -54.28 107.22 0.2 Allowed 'Trans proline' 1 C--N 1.483 7.606 1 C-N-CA 127.123 5.215 . . . . 0.0 115.324 -178.993 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 7.6 t -115.63 95.35 5.1 Favored 'General case' 1 C--N 1.478 6.156 0 CA-C-O 124.585 2.136 . . . . 0.0 109.849 171.315 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -76.88 -91.9 0.03 OUTLIER 'General case' 1 C--N 1.498 7.026 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.392 -172.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' H ' ' HG2' ' A' ' 71' ' ' ARG . 4.4 mmt85 -58.85 -70.16 0.16 Allowed 'General case' 1 C--N 1.479 6.211 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 170.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.754 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 0.9 OUTLIER 178.71 73.04 0.01 OUTLIER 'General case' 1 C--N 1.478 6.166 0 CA-C-O 123.86 1.791 . . . . 0.0 110.181 169.455 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -40.62 -36.02 0.66 Allowed Pre-proline 1 C--N 1.477 6.14 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -170.846 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.754 ' HD2' ' C ' ' A' ' 72' ' ' CYS . 2.4 Cg_exo -35.38 -42.88 0.47 Allowed 'Trans proline' 1 C--N 1.475 7.23 1 C-N-CA 126.588 4.859 . . . . 0.0 114.814 -179.014 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 3.6 t0 169.25 74.69 0.0 OUTLIER 'General case' 1 C--N 1.48 6.252 0 CA-C-O 121.893 0.854 . . . . 0.0 110.917 171.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 10.5 tptt -79.91 -9.24 59.66 Favored 'General case' 1 C--N 1.479 6.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.537 -171.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 76' ' ' LYS . . . -178.79 -110.12 0.0 OUTLIER 'General case' 1 C--N 1.474 5.984 0 O-C-N 121.437 -0.79 . . . . 0.0 112.539 172.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.05 79.25 8.2 Favored Pre-proline 1 C--N 1.478 6.181 0 CA-C-O 121.922 0.868 . . . . 0.0 111.264 -171.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -43.09 85.53 0.01 OUTLIER 'Trans proline' 1 C--N 1.478 7.357 1 C-N-CA 126.259 4.639 . . . . 0.0 114.718 179.315 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -49.46 120.84 4.43 Favored 'General case' 1 C--N 1.478 6.177 0 CA-C-O 121.712 0.767 . . . . 0.0 111.005 -173.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.69 132.15 8.72 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.755 0.788 . . . . 0.0 111.037 -175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -69.6 109.35 4.26 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 121.735 0.779 . . . . 0.0 110.967 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -161.52 32.52 0.13 Allowed 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.739 0.78 . . . . 0.0 110.952 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.55 -160.36 0.56 Allowed 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.805 0.812 . . . . 0.0 110.961 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.8 150.29 28.58 Favored 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.752 0.787 . . . . 0.0 111.002 177.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.11 69.36 1.3 Allowed 'General case' 1 C--N 1.479 6.23 0 CA-C-O 121.742 0.782 . . . . 0.0 110.944 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.1 pp -116.53 17.88 7.38 Favored 'Isoleucine or valine' 1 C--N 1.479 6.213 0 CA-C-O 121.563 0.697 . . . . 0.0 111.24 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 90' ' ' ALA . 91.2 m -132.45 135.03 45.79 Favored 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.757 0.789 . . . . 0.0 110.911 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -124.6 34.44 5.01 Favored 'General case' 1 C--N 1.479 6.228 0 CA-C-O 121.768 0.794 . . . . 0.0 110.831 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' H ' HG22 ' A' ' 88' ' ' THR . . . -131.21 109.86 10.72 Favored 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.804 0.811 . . . . 0.0 110.95 -175.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 90.8 m -94.11 -50.72 5.16 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 121.775 0.798 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 . . . . . 1 C--N 1.479 6.201 0 CA-C-O 121.954 0.883 . . . . 0.0 110.998 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.434 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 121.706 0.765 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -123.83 27.98 7.05 Favored 'General case' 1 C--N 1.479 6.204 0 CA-C-O 121.79 0.805 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -88.56 -60.0 2.08 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 121.947 0.879 . . . . 0.0 110.939 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.43 96.01 1.85 Allowed 'General case' 1 C--N 1.48 6.249 0 CA-C-O 121.718 0.77 . . . . 0.0 111.016 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -63.63 1.2 Allowed 'General case' 1 C--N 1.479 6.199 0 CA-C-O 121.906 0.86 . . . . 0.0 111.073 -176.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.6 p -82.54 124.2 29.89 Favored 'General case' 1 C--N 1.482 6.356 0 CA-C-O 122.262 1.029 . . . . 0.0 111.118 173.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.68 -150.97 0.16 Allowed 'General case' 1 C--N 1.482 6.327 0 CA-C-O 121.777 0.798 . . . . 0.0 111.043 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -156.59 -74.87 0.1 Allowed 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.709 0.766 . . . . 0.0 111.119 172.257 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.66 ' N ' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -78.1 -24.56 47.49 Favored 'General case' 1 C--N 1.48 6.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.783 -172.461 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.25 -62.76 1.26 Allowed 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.245 1.021 . . . . 0.0 110.936 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -48.78 -40.18 27.95 Favored 'General case' 1 C--N 1.481 6.294 0 CA-C-O 122.595 1.188 . . . . 0.0 110.446 -179.976 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.2 OUTLIER -48.47 -77.67 0.02 OUTLIER 'General case' 1 C--N 1.48 6.253 0 CA-C-O 123.468 1.604 . . . . 0.0 113.07 178.425 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.879 ' HA ' HG23 ' A' ' 16' ' ' VAL . 25.7 t-105 -73.0 -30.68 63.96 Favored 'General case' 1 C--N 1.486 6.531 0 O-C-N 120.774 -1.203 . . . . 0.0 110.973 -170.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.58 -35.51 60.9 Favored 'General case' 1 C--N 1.483 6.372 0 CA-C-O 121.983 0.897 . . . . 0.0 109.938 171.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.709 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -57.35 -42.59 82.28 Favored 'General case' 1 C--N 1.481 6.299 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 171.791 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.879 HG23 ' HA ' ' A' ' 13' ' ' TRP . 2.0 t -54.8 -52.58 41.05 Favored 'Isoleucine or valine' 1 C--N 1.489 6.655 0 CA-C-O 121.436 0.636 . . . . 0.0 112.703 172.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.694 HD21 ' HE1' ' A' ' 13' ' ' TRP . 21.5 mt -51.8 -50.43 60.79 Favored 'General case' 1 C--N 1.476 6.084 0 CA-C-O 123.527 1.632 . . . . 0.0 110.861 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.77 14.51 8.5 Favored 'General case' 1 C--N 1.485 6.488 0 C-N-CA 124.137 0.975 . . . . 0.0 113.308 -169.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 0.83 65.16 0.0 OUTLIER 'General case' 1 C--N 1.477 6.132 0 C-N-CA 125.403 1.481 . . . . 0.0 113.701 -170.29 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -86.13 137.69 35.0 Favored Pre-proline 1 C--N 1.484 6.448 0 O-C-N 121.243 -0.911 . . . . 0.0 111.161 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -52.46 -22.55 16.64 Favored 'Trans proline' 1 C--N 1.478 7.394 1 C-N-CA 126.386 4.724 . . . . 0.0 115.831 179.229 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -46.07 57.24 Favored 'General case' 1 C--N 1.478 6.165 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.83 10.44 24.53 Favored 'General case' 1 C--N 1.48 6.265 0 O-C-N 121.229 -0.919 . . . . 0.0 112.518 -171.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -47.73 -76.11 0.02 OUTLIER 'General case' 1 C--N 1.478 6.195 0 CA-C-O 122.222 1.01 . . . . 0.0 110.821 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.09 4.41 54.43 Favored Glycine 1 C--N 1.481 8.607 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -172.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.68 -10.5 58.9 Favored 'General case' 1 C--N 1.478 6.184 0 O-C-N 121.486 -1.008 . . . . 0.0 111.182 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -167.45 152.87 7.33 Favored 'General case' 1 C--N 1.48 6.266 0 O-C-N 121.746 -0.596 . . . . 0.0 111.922 178.435 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.928 HG23 ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -104.24 168.83 2.32 Favored 'Isoleucine or valine' 1 C--N 1.483 6.376 0 O-C-N 120.431 -1.418 . . . . 0.0 111.045 -178.094 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -139.89 140.66 36.51 Favored 'General case' 1 C--N 1.481 6.304 0 O-C-N 121.746 -0.597 . . . . 0.0 110.235 172.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' HE1' ' A' ' 55' ' ' TYR . . . -129.41 98.61 4.92 Favored 'General case' 1 C--N 1.478 6.179 0 CA-C-O 122.147 0.975 . . . . 0.0 111.471 -171.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 ' CB ' ' A' ' 47' ' ' ALA . 13.1 p -88.57 97.34 6.74 Favored 'Isoleucine or valine' 1 C--N 1.481 6.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.801 177.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.39 79.94 8.84 Favored 'General case' 1 C--N 1.479 6.216 0 CA-C-O 121.702 0.763 . . . . 0.0 111.405 -172.486 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -134.42 -53.2 0.83 Allowed 'General case' 1 C--N 1.478 6.187 0 CA-C-O 122.442 1.115 . . . . 0.0 110.006 173.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -97.88 -15.25 20.28 Favored 'General case' 1 C--N 1.481 6.289 0 CA-C-O 121.858 0.837 . . . . 0.0 110.436 170.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 92.64 66.16 1.1 Allowed Glycine 1 C--N 1.48 8.551 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 172.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.62 132.81 51.65 Favored 'Isoleucine or valine' 1 C--N 1.48 6.243 0 O-C-N 121.564 -0.962 . . . . 0.0 111.549 174.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.031 ' HB3' ' HD2' ' A' ' 66' ' ' PHE . 6.0 p90 -114.3 110.3 19.71 Favored 'General case' 1 C--N 1.478 6.192 0 O-C-N 121.559 -0.713 . . . . 0.0 109.263 171.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.566 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 14.5 t -125.37 162.31 25.07 Favored 'General case' 1 C--N 1.477 6.122 0 O-C-N 120.002 -1.686 . . . . 0.0 112.286 -170.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 114.11 27.65 Favored Pre-proline 1 C--N 1.475 6.038 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 167.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -13.76 61.09 0.0 OUTLIER 'Trans proline' 2 C--N 1.471 6.994 1 C-N-CA 127.78 5.653 . . . . 0.0 120.075 -175.943 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 119.98 0.05 OUTLIER 'General case' 1 C--N 1.484 6.455 0 O-C-N 121.656 -0.653 . . . . 0.0 112.329 171.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 72' ' ' CYS . 31.8 m -138.05 128.42 26.22 Favored 'General case' 1 C--N 1.478 6.175 0 O-C-N 120.604 -1.31 . . . . 0.0 109.785 168.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 43' ' ' ARG . 3.1 mtt-85 -72.27 -14.95 61.9 Favored 'General case' 1 C--N 1.478 6.155 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.54 -174.06 0.5 Allowed 'General case' 1 C--N 1.477 6.135 0 CA-C-O 122.498 1.142 . . . . 0.0 109.597 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -45.74 94.64 0.01 OUTLIER 'General case' 1 C--N 1.487 6.576 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.991 171.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -43.67 111.83 0.32 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.935 0.874 . . . . 0.0 111.722 -170.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.784 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -32.48 109.15 0.06 Allowed 'General case' 1 C--N 1.481 6.312 0 CA-C-O 121.87 0.843 . . . . 0.0 112.079 173.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.824 ' CD1' ' HG2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -51.5 137.74 23.57 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.798 0.809 . . . . 0.0 110.943 172.249 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 3.0 ttt-85 -74.44 -4.35 36.12 Favored 'General case' 1 C--N 1.479 6.219 0 CA-C-O 121.217 0.532 . . . . 0.0 111.678 176.453 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.824 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 4.6 pt-20 -82.56 -9.95 59.19 Favored 'General case' 1 C--N 1.478 6.177 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.728 ' OD1' HG23 ' A' ' 31' ' ' VAL 0.27 7.7 p-10 -133.22 18.74 4.04 Favored 'General case' 1 C--N 1.468 5.754 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 178.7 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG13 ' CE1' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -97.34 150.45 4.57 Favored 'Isoleucine or valine' 1 C--N 1.479 6.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.421 -163.331 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ALA . 33.1 t -132.52 137.42 47.15 Favored 'General case' 1 C--N 1.477 6.136 0 O-C-N 120.234 -1.541 . . . . 0.0 111.949 177.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.655 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 2.4 m-85 -106.21 135.96 46.77 Favored 'General case' 1 C--N 1.483 6.407 0 CA-C-O 123.242 1.496 . . . . 0.0 111.819 -172.576 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.928 ' HB2' HG23 ' A' ' 28' ' ' VAL . 1.4 m-85 -123.99 167.86 13.6 Favored 'General case' 1 C--N 1.477 6.137 0 C-N-CA 125.362 1.465 . . . . 0.0 110.141 172.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.51 -26.34 32.62 Favored 'General case' 1 C--N 1.48 6.249 0 O-C-N 118.339 -2.726 . . . . 0.0 112.876 170.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 9.7 t-20 -145.59 157.93 43.91 Favored 'General case' 1 C--N 1.48 6.239 0 O-C-N 120.878 -1.139 . . . . 0.0 112.494 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 62' ' ' LEU . . . -67.01 -16.4 64.34 Favored 'General case' 1 C--N 1.483 6.401 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.547 173.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.453 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -60.72 -36.31 78.53 Favored 'General case' 1 C--N 1.478 6.191 0 O-C-N 121.183 -0.948 . . . . 0.0 110.694 173.06 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.66 -57.79 3.85 Favored 'General case' 1 C--N 1.48 6.276 0 CA-C-O 121.547 0.689 . . . . 0.0 111.725 178.389 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.574 ' HB2' ' CD1' ' A' ' 55' ' ' TYR . . . -56.38 -27.26 55.72 Favored 'General case' 1 C--N 1.481 6.299 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -75.37 -48.65 21.98 Favored 'General case' 1 C--N 1.477 6.141 0 O-C-N 120.9 -1.125 . . . . 0.0 110.42 172.091 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.88 -24.21 5.94 Favored 'General case' 1 C--N 1.478 6.193 0 CA-C-O 121.671 0.748 . . . . 0.0 111.075 171.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -69.35 -40.21 77.65 Favored 'General case' 1 C--N 1.481 6.288 0 CA-C-O 122.67 1.224 . . . . 0.0 109.531 172.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 105.26 30.62 4.66 Favored Glycine 1 C--N 1.485 8.815 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 173.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.031 ' HD2' ' HB3' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -97.65 -168.84 1.74 Allowed 'General case' 1 C--N 1.479 6.205 0 CA-C-N 114.906 -0.647 . . . . 0.0 111.49 -171.931 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.588 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -95.81 108.0 37.65 Favored Pre-proline 1 C--N 1.479 6.196 0 O-C-N 120.585 -1.322 . . . . 0.0 111.72 -176.63 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.588 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 27.5 Cg_endo -56.85 104.7 0.15 Allowed 'Trans proline' 1 C--N 1.48 7.458 1 C-N-CA 127.45 5.433 . . . . 0.0 114.691 -179.243 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.566 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -113.58 100.35 8.43 Favored 'General case' 1 C--N 1.477 6.15 0 CA-C-O 124.077 1.894 . . . . 0.0 109.698 -177.473 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -86.54 0.2 Allowed 'General case' 1 C--N 1.495 6.921 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.222 -178.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -59.05 -71.14 0.13 Allowed 'General case' 1 C--N 1.477 6.144 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 170.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER 178.79 62.34 0.01 OUTLIER 'General case' 1 C--N 1.48 6.254 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.933 168.957 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.74 139.0 0.96 Allowed Pre-proline 1 C--N 1.473 5.959 0 CA-C-O 122.345 1.069 . . . . 0.0 112.526 -171.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -76.53 -166.35 0.37 Allowed 'Trans proline' 1 C--N 1.483 7.646 1 C-N-CA 126.581 4.854 . . . . 0.0 114.518 179.135 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' HB3' ' H ' ' A' ' 76' ' ' LYS . 1.6 t70 -75.46 -88.41 0.03 OUTLIER 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.825 0.821 . . . . 0.0 110.921 176.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 75' ' ' ASP . 21.2 tttp -108.1 -99.71 0.37 Allowed 'General case' 1 C--N 1.479 6.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 177.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.78 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . . . -46.2 -168.97 0.0 OUTLIER 'General case' 1 C--N 1.476 6.101 0 CA-C-O 123.551 1.643 . . . . 0.0 113.03 169.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.586 ' N ' ' HD3' ' A' ' 79' ' ' PRO . 6.6 p30 -110.64 39.72 0.16 Allowed Pre-proline 1 C--N 1.49 6.68 0 O-C-N 120.731 -1.231 . . . . 0.0 112.694 172.096 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.78 ' HD3' ' CB ' ' A' ' 77' ' ' ALA . 22.6 Cg_endo -92.15 115.08 0.35 Allowed 'Trans proline' 2 C--N 1.476 7.285 1 C-N-CA 126.732 4.955 . . . . 0.0 114.561 179.288 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 54.4 3.1 Favored 'General case' 1 C--N 1.477 6.146 0 O-C-N 120.672 -1.268 . . . . 0.0 111.463 171.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -42.56 105.89 0.05 Allowed 'General case' 1 C--N 1.478 6.19 0 CA-C-O 121.745 0.783 . . . . 0.0 111.009 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 -75.31 0.01 OUTLIER 'General case' 1 C--N 1.479 6.2 0 CA-C-O 121.746 0.784 . . . . 0.0 111.015 175.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -172.53 114.16 0.29 Allowed 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.713 0.768 . . . . 0.0 110.977 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.35 148.93 46.64 Favored 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.741 0.781 . . . . 0.0 111.039 -172.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -151.44 142.75 23.37 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.755 0.788 . . . . 0.0 110.942 172.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.58 100.77 6.37 Favored 'General case' 1 C--N 1.478 6.186 0 CA-C-O 121.809 0.814 . . . . 0.0 111.027 -172.39 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -44.24 1.97 Allowed 'Isoleucine or valine' 1 C--N 1.479 6.231 0 CA-C-O 121.729 0.776 . . . . 0.0 110.935 172.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.29 172.47 6.9 Favored 'General case' 1 C--N 1.479 6.205 0 CA-C-O 121.767 0.794 . . . . 0.0 110.977 174.059 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -101.72 -19.44 15.38 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.732 0.777 . . . . 0.0 111.077 -172.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.68 131.68 41.89 Favored 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.758 0.79 . . . . 0.0 110.985 176.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.0 t -145.89 98.39 3.11 Favored 'General case' 1 C--N 1.479 6.225 0 CA-C-O 121.722 0.772 . . . . 0.0 110.97 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--N 1.478 6.173 0 CA-C-O 121.988 0.899 . . . . 0.0 110.98 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 2.432 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.749 0.785 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -106.63 -170.36 1.71 Allowed 'General case' 1 C--N 1.479 6.237 0 CA-C-O 121.767 0.794 . . . . 0.0 110.974 -173.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -27.26 0.22 Allowed 'General case' 1 C--N 1.479 6.233 0 CA-C-O 121.749 0.785 . . . . 0.0 110.988 177.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.19 -71.96 0.06 Allowed 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.775 0.797 . . . . 0.0 110.998 -176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -149.82 141.42 23.5 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.769 0.795 . . . . 0.0 110.994 175.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -165.03 0.19 Allowed 'General case' 1 C--N 1.478 6.188 0 CA-C-O 121.713 0.768 . . . . 0.0 111.005 173.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.59 94.61 5.68 Favored 'General case' 1 C--N 1.478 6.17 0 CA-C-O 121.688 0.756 . . . . 0.0 110.996 178.144 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -147.6 -75.54 0.19 Allowed 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.751 0.786 . . . . 0.0 111.009 -175.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.74 -30.1 71.17 Favored 'General case' 1 C--N 1.479 6.224 0 CA-C-O 121.754 0.788 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -69.27 -56.51 7.35 Favored 'General case' 1 C--N 1.479 6.235 0 CA-C-O 122.036 0.922 . . . . 0.0 110.917 -176.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.618 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 2.8 pt20 -57.54 -47.95 80.62 Favored 'General case' 1 C--N 1.48 6.281 0 CA-C-O 122.463 1.125 . . . . 0.0 111.052 -177.188 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 15' ' ' SER . 0.0 OUTLIER -40.68 -72.91 0.05 Allowed 'General case' 1 C--N 1.48 6.251 0 CA-C-O 123.915 1.817 . . . . 0.0 112.367 175.696 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.081 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 54.7 t-105 -76.23 -23.46 54.55 Favored 'General case' 1 C--N 1.482 6.339 0 O-C-N 120.713 -1.242 . . . . 0.0 111.541 -169.235 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 tm0? -60.75 -32.71 71.99 Favored 'General case' 1 C--N 1.481 6.32 0 CA-C-O 122.46 1.124 . . . . 0.0 108.727 170.359 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.759 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 60.4 m -61.45 -33.34 73.57 Favored 'General case' 1 C--N 1.483 6.398 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.214 171.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.956 HG23 ' HA ' ' A' ' 13' ' ' TRP 0.272 1.3 t -67.06 -65.42 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.492 6.762 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.023 171.274 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HE1' ' A' ' 13' ' ' TRP . 32.2 mt -51.78 -49.08 63.4 Favored 'General case' 1 C--N 1.476 6.066 0 O-C-N 119.01 -2.307 . . . . 0.0 109.996 -171.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' GLN . . . -88.86 -21.95 23.42 Favored 'General case' 1 C--N 1.489 6.634 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -168.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 2.06 62.86 0.0 OUTLIER 'General case' 1 C--N 1.475 6.055 0 CA-C-O 124.105 1.907 . . . . 0.0 113.725 -167.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 4.0 t0 -56.35 -54.43 53.15 Favored Pre-proline 1 C--N 1.493 6.813 0 O-C-N 120.593 -1.317 . . . . 0.0 109.739 170.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 20' ' ' ASP . 64.5 Cg_endo -75.19 -159.65 0.09 OUTLIER 'Trans proline' 2 C--N 1.479 7.433 1 C-N-CA 125.512 4.142 . . . . 0.0 112.502 178.171 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' A' ' 40' ' ' PRO . 3.4 t30 -89.92 -79.24 0.34 Allowed 'General case' 1 C--N 1.475 6.046 0 CA-C-O 123.069 1.414 . . . . 0.0 108.82 171.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.653 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . . . -156.45 91.45 1.24 Allowed 'General case' 1 C--N 1.483 6.407 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.529 170.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -37.76 106.98 0.06 Allowed 'General case' 1 C--N 1.479 6.204 0 CA-C-O 124.238 1.97 . . . . 0.0 111.715 -171.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 -86.35 0.96 Allowed Glycine 1 C--N 1.48 8.553 0 N-CA-C 105.03 -3.228 . . . . 0.0 105.03 170.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -161.28 23.83 0.13 Allowed 'General case' 1 C--N 1.474 5.984 0 CA-C-N 113.72 -1.24 . . . . 0.0 109.802 167.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.42 157.16 1.07 Allowed 'General case' 1 C--N 1.485 6.476 0 CA-C-O 123.355 1.55 . . . . 0.0 112.864 -170.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.942 HG22 ' HB2' ' A' ' 55' ' ' TYR . 2.3 m -141.4 157.42 21.76 Favored 'Isoleucine or valine' 1 C--N 1.487 6.58 0 O-C-N 120.993 -1.067 . . . . 0.0 110.452 -169.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -139.91 136.85 34.31 Favored 'General case' 1 C--N 1.479 6.209 0 O-C-N 120.849 -1.157 . . . . 0.0 110.21 -178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.645 ' HB1' ' CD2' ' A' ' 66' ' ' PHE . . . -122.63 111.33 16.63 Favored 'General case' 1 C--N 1.479 6.223 0 O-C-N 121.18 -0.95 . . . . 0.0 111.106 -172.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.074 HG21 ' HB3' ' A' ' 47' ' ' ALA . 6.8 p -95.8 110.18 23.91 Favored 'Isoleucine or valine' 1 C--N 1.479 6.212 0 CA-C-O 121.304 0.574 . . . . 0.0 110.487 175.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 11.8 ptt180 -84.83 26.97 0.78 Allowed 'General case' 1 C--N 1.481 6.285 0 O-C-N 121.478 -0.764 . . . . 0.0 112.824 -171.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 2.1 m -106.89 -38.52 6.04 Favored 'General case' 1 C--N 1.477 6.15 0 O-C-N 121.113 -0.992 . . . . 0.0 110.285 -178.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.4 m -101.4 -9.47 21.09 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.878 171.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.95 51.04 11.13 Favored Glycine 1 C--N 1.479 8.521 0 O-C-N 121.549 -0.719 . . . . 0.0 112.277 171.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 42' ' ' CYS . 1.2 pt -135.86 141.1 42.87 Favored 'Isoleucine or valine' 1 C--N 1.478 6.19 0 O-C-N 121.433 -1.04 . . . . 0.0 110.574 171.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.029 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -111.09 104.8 13.38 Favored 'General case' 1 C--N 1.478 6.18 0 O-C-N 120.657 -1.277 . . . . 0.0 109.344 171.993 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 37.1 t -122.67 168.08 12.64 Favored 'General case' 1 C--N 1.478 6.157 0 O-C-N 119.698 -1.876 . . . . 0.0 110.775 -169.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.0 175.27 3.18 Favored Pre-proline 1 C--N 1.477 6.118 0 CA-C-O 122.758 1.266 . . . . 0.0 108.066 166.812 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.653 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -14.47 -31.5 0.0 OUTLIER 'Trans proline' 1 C--N 1.474 7.163 2 C-N-CA 128.916 6.411 . . . . 0.0 122.578 -178.205 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 t -164.61 160.28 19.95 Favored 'General case' 1 C--N 1.478 6.171 0 CA-C-N 122.002 2.183 . . . . 0.0 113.963 177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 36' ' ' ILE . 21.4 m -127.89 132.17 49.36 Favored 'General case' 1 C--N 1.49 6.683 0 O-C-N 121.074 -1.016 . . . . 0.0 109.252 170.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' H ' ' HG3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -75.27 5.72 5.24 Favored 'General case' 1 C--N 1.475 6.049 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.637 -171.951 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.18 -176.35 5.65 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.648 1.213 . . . . 0.0 110.146 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -42.09 1.06 Allowed 'General case' 1 C--N 1.486 6.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.859 174.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 55.96 173.73 0.03 OUTLIER 'General case' 1 C--N 1.479 6.22 0 CA-C-O 121.797 0.808 . . . . 0.0 111.08 -177.407 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.074 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -131.98 175.08 9.53 Favored 'General case' 1 C--N 1.481 6.311 0 CA-C-O 122.134 0.969 . . . . 0.0 111.694 -171.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.047 HD22 ' CG ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -86.69 178.58 6.99 Favored 'General case' 1 C--N 1.481 6.293 0 CA-C-O 122.203 1.002 . . . . 0.0 111.747 -172.035 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HB3' ' CE2' ' A' ' 13' ' ' TRP . 2.8 ptm180 -88.02 15.38 7.39 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.691 0.758 . . . . 0.0 111.521 175.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.047 ' CG ' HD22 ' A' ' 48' ' ' LEU . 6.5 mm-40 -86.24 -22.47 26.86 Favored 'General case' 1 C--N 1.479 6.221 0 O-C-N 121.805 -0.56 . . . . 0.0 112.358 -171.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.546 HD21 HG22 ' A' ' 31' ' ' VAL 0.288 9.5 p-10 -132.77 18.1 4.24 Favored 'General case' 1 C--N 1.469 5.776 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -176.417 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -94.87 165.16 1.99 Allowed 'Isoleucine or valine' 1 C--N 1.478 6.189 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.083 -162.423 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.58 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 27.1 t -126.22 172.11 10.34 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.428 -1.42 . . . . 0.0 111.173 172.027 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.081 ' CZ ' ' HB2' ' A' ' 13' ' ' TRP . 33.4 m-85 -141.24 149.05 40.84 Favored 'General case' 1 C--N 1.482 6.358 0 CA-C-O 122.707 1.242 . . . . 0.0 112.106 174.112 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.942 ' HB2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -151.68 160.36 43.65 Favored 'General case' 1 C--N 1.481 6.296 0 C-N-CA 123.743 0.817 . . . . 0.0 109.927 -178.182 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.13 -25.51 39.86 Favored 'General case' 1 C--N 1.479 6.199 0 O-C-N 119.646 -1.909 . . . . 0.0 112.004 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.785 ' OD1' ' HB3' ' A' ' 59' ' ' SER . 12.9 t-20 -143.33 159.5 42.24 Favored 'General case' 1 C--N 1.479 6.219 0 O-C-N 121.291 -0.88 . . . . 0.0 111.143 174.361 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.701 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -65.69 -30.78 71.51 Favored 'General case' 1 C--N 1.482 6.327 0 O-C-N 121.455 -0.778 . . . . 0.0 112.172 176.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.785 ' HB3' ' OD1' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -48.66 -32.12 7.83 Favored 'General case' 1 C--N 1.479 6.211 0 O-C-N 121.245 -0.909 . . . . 0.0 111.186 176.258 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.86 ' CG ' ' HD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -73.66 -64.74 0.93 Allowed 'General case' 1 C--N 1.479 6.209 0 CA-C-O 121.724 0.773 . . . . 0.0 111.445 -179.471 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.937 ' CB ' ' HD2' ' A' ' 37' ' ' PHE . . . -52.31 -12.92 0.29 Allowed 'General case' 1 C--N 1.48 6.246 0 O-C-N 121.542 -0.724 . . . . 0.0 112.241 172.038 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -83.49 -42.56 16.74 Favored 'General case' 1 C--N 1.479 6.212 0 O-C-N 120.787 -1.196 . . . . 0.0 110.438 171.533 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.42 -26.16 7.52 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 122.164 0.983 . . . . 0.0 110.233 171.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -71.24 -40.58 70.95 Favored 'General case' 1 C--N 1.483 6.39 0 CA-C-O 122.699 1.238 . . . . 0.0 109.724 171.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . 102.6 40.21 2.59 Favored Glycine 1 C--N 1.483 8.703 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 172.585 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.029 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -97.86 -173.12 2.53 Favored 'General case' 1 C--N 1.48 6.255 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -171.248 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HD2' ' C ' ' A' ' 67' ' ' ARG . 0.5 OUTLIER -97.44 108.41 44.75 Favored Pre-proline 1 C--N 1.478 6.189 0 CA-C-O 122.449 1.118 . . . . 0.0 113.444 -170.982 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 4.1 Cg_exo -42.1 110.13 0.14 Allowed 'Trans proline' 1 C--N 1.485 7.737 1 C-N-CA 127.468 5.445 . . . . 0.0 117.1 179.499 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.567 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 3.0 t -131.06 91.36 3.03 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 125.193 2.425 . . . . 0.0 109.518 171.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -85.78 -79.05 0.25 Allowed 'General case' 1 C--N 1.499 7.081 0 CA-C-N 114.125 -1.398 . . . . 0.0 109.905 -174.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -71.81 0.17 Allowed 'General case' 1 C--N 1.477 6.119 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 169.107 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 178.99 75.72 0.01 OUTLIER 'General case' 1 C--N 1.479 6.228 0 CA-C-O 122.158 0.98 . . . . 0.0 110.736 168.731 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.84 173.22 0.03 OUTLIER Pre-proline 1 C--N 1.474 6.006 0 CA-C-O 122.923 1.344 . . . . 0.0 114.208 178.318 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -34.01 169.05 0.0 OUTLIER 'Trans proline' 1 C--N 1.484 7.686 1 C-N-CA 127.618 5.546 . . . . 0.0 118.306 -178.94 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -153.22 79.14 1.18 Allowed 'General case' 1 C--N 1.484 6.434 0 CA-C-O 122.149 0.976 . . . . 0.0 110.402 -171.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 86.7 2.82 Favored 'General case' 1 C--N 1.481 6.322 0 CA-C-O 122.155 0.979 . . . . 0.0 110.611 175.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.96 -27.25 0.01 OUTLIER 'General case' 1 C--N 1.476 6.086 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.343 -171.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 90.36 103.92 0.02 OUTLIER Pre-proline 1 C--N 1.477 6.151 0 CA-C-O 122.078 0.942 . . . . 0.0 110.702 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -69.87 -42.89 2.91 Favored 'Trans proline' 1 C--N 1.48 7.448 1 C-N-CA 126.375 4.717 . . . . 0.0 115.489 -179.091 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -175.57 89.9 0.05 OUTLIER 'General case' 1 C--N 1.478 6.194 0 CA-C-O 121.729 0.776 . . . . 0.0 111.484 -172.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.99 177.76 0.01 OUTLIER 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.832 0.825 . . . . 0.0 111.066 171.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 65.75 24.57 11.45 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.675 0.75 . . . . 0.0 110.97 172.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -162.69 131.29 4.03 Favored 'General case' 1 C--N 1.479 6.217 0 CA-C-O 121.732 0.777 . . . . 0.0 110.98 175.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.27 90.56 0.07 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.727 0.775 . . . . 0.0 110.997 -174.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.52 23.83 0.9 Allowed 'General case' 1 C--N 1.478 6.195 0 CA-C-O 121.781 0.801 . . . . 0.0 110.997 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -108.95 73.99 0.88 Allowed 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.963 -174.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.39 -22.87 4.67 Favored 'Isoleucine or valine' 1 C--N 1.479 6.201 0 CA-C-O 121.752 0.787 . . . . 0.0 110.998 -178.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 m -131.59 101.83 5.66 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.668 0.747 . . . . 0.0 111.018 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.84 71.68 1.68 Allowed 'General case' 1 C--N 1.478 6.163 0 CA-C-O 121.74 0.781 . . . . 0.0 111.083 175.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.81 93.04 0.97 Allowed 'General case' 1 C--N 1.479 6.229 0 CA-C-O 121.739 0.78 . . . . 0.0 110.987 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.39 -84.69 0.1 Allowed 'General case' 1 C--N 1.479 6.207 0 CA-C-O 121.777 0.799 . . . . 0.0 110.989 -178.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 . . . . . 1 C--N 1.479 6.224 0 CA-C-O 121.964 0.888 . . . . 0.0 110.998 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mtt . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 121.752 0.787 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -74.76 -41.88 59.25 Favored 'General case' 1 C--N 1.48 6.242 0 CA-C-O 121.828 0.823 . . . . 0.0 111.027 175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -50.2 133.8 23.17 Favored 'General case' 1 C--N 1.48 6.248 0 CA-C-O 121.792 0.806 . . . . 0.0 110.889 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.54 123.77 24.59 Favored 'General case' 1 C--N 1.479 6.226 0 CA-C-O 121.787 0.803 . . . . 0.0 110.951 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t -136.83 6.12 2.89 Favored 'General case' 1 C--N 1.479 6.212 0 CA-C-O 121.116 0.484 . . . . 0.0 111.347 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.7 m -86.04 90.98 8.27 Favored 'General case' 1 C--N 1.478 6.194 0 O-C-N 121.52 -0.737 . . . . 0.0 111.635 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.94 95.43 0.06 Allowed 'General case' 1 C--N 1.479 6.222 0 CA-C-O 121.624 0.725 . . . . 0.0 110.313 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.728 HG23 HH11 ' A' ' 12' ' ' ARG . 0.9 OUTLIER -157.61 -52.18 0.07 Allowed 'General case' 1 C--N 1.479 6.206 0 CA-C-O 121.802 0.81 . . . . 0.0 111.369 -171.295 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.82 -38.72 92.13 Favored 'General case' 1 C--N 1.48 6.262 0 CA-C-O 121.544 0.688 . . . . 0.0 111.476 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -38.25 52.98 Favored 'General case' 1 C--N 1.478 6.184 0 CA-C-O 121.448 0.642 . . . . 0.0 111.469 -172.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.806 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.1 -51.2 68.89 Favored 'General case' 1 C--N 1.478 6.183 0 CA-C-O 123.15 1.452 . . . . 0.0 110.753 172.212 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.806 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -40.91 -59.29 1.47 Allowed 'General case' 1 C--N 1.482 6.344 0 CA-C-O 125.233 2.444 . . . . 0.0 111.942 171.751 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.941 ' HA ' HG23 ' A' ' 16' ' ' VAL . 61.5 t-105 -78.19 -27.27 47.88 Favored 'General case' 1 C--N 1.481 6.321 0 CA-C-N 114.074 -1.421 . . . . 0.0 113.292 -167.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.65 -23.85 60.01 Favored 'General case' 1 C--N 1.48 6.254 0 CA-C-O 122.507 1.146 . . . . 0.0 109.066 170.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.743 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 59.9 m -70.07 -42.98 72.1 Favored 'General case' 1 C--N 1.483 6.399 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.826 171.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.941 HG23 ' HA ' ' A' ' 13' ' ' TRP . 1.6 t -56.23 -55.06 20.77 Favored 'Isoleucine or valine' 1 C--N 1.489 6.646 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 172.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HE1' ' A' ' 13' ' ' TRP . 12.5 mt -50.14 -47.78 54.0 Favored 'General case' 1 C--N 1.475 6.063 0 O-C-N 119.773 -1.829 . . . . 0.0 109.408 175.262 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.96 58.91 5.06 Favored 'General case' 1 C--N 1.484 6.414 0 C-N-CA 124.184 0.994 . . . . 0.0 112.384 -177.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -30.65 -36.84 0.01 OUTLIER 'General case' 1 C--N 1.48 6.26 0 O-C-N 121.213 -0.929 . . . . 0.0 111.727 171.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -43.12 104.8 0.39 Allowed Pre-proline 1 C--N 1.479 6.219 0 O-C-N 121.417 -0.802 . . . . 0.0 110.703 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -33.84 76.04 0.0 OUTLIER 'Trans proline' 1 C--N 1.478 7.352 1 C-N-CA 127.265 5.31 . . . . 0.0 117.093 -178.909 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -88.49 -62.9 1.39 Allowed 'General case' 1 C--N 1.48 6.241 0 CA-C-O 122.127 0.965 . . . . 0.0 110.685 171.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.25 48.35 2.42 Favored 'General case' 1 C--N 1.481 6.297 0 CA-C-O 121.804 0.812 . . . . 0.0 110.955 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.3 -58.19 5.89 Favored 'General case' 1 C--N 1.479 6.234 0 CA-C-O 122.322 1.058 . . . . 0.0 110.901 -173.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' HA2' ' NH1' ' A' ' 39' ' ' ARG . . . -78.49 6.08 53.81 Favored Glycine 1 C--N 1.482 8.654 0 O-C-N 121.607 -0.683 . . . . 0.0 111.662 -175.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -107.47 0.81 23.06 Favored 'General case' 1 C--N 1.479 6.222 0 O-C-N 121.398 -1.06 . . . . 0.0 111.53 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.36 171.36 19.92 Favored 'General case' 1 C--N 1.482 6.332 0 CA-C-O 123.372 1.558 . . . . 0.0 112.488 171.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 55' ' ' TYR . 12.6 m -141.5 155.32 20.49 Favored 'Isoleucine or valine' 1 C--N 1.481 6.298 0 C-N-CA 124.989 1.316 . . . . 0.0 109.415 -169.175 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.028 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -135.88 135.92 40.11 Favored 'General case' 1 C--N 1.477 6.133 0 O-C-N 119.726 -1.859 . . . . 0.0 109.071 -171.742 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' SER . . . -127.19 102.43 6.93 Favored 'General case' 1 C--N 1.478 6.174 0 O-C-N 121.011 -1.055 . . . . 0.0 111.474 -171.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.006 HG21 ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.53 104.25 15.64 Favored 'Isoleucine or valine' 1 C--N 1.479 6.208 0 CA-C-O 121.689 0.757 . . . . 0.0 110.406 175.164 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -86.0 31.79 0.62 Allowed 'General case' 1 C--N 1.481 6.302 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -171.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.741 HG22 HG23 ' A' ' 31' ' ' VAL . 12.4 t -102.27 -41.77 6.25 Favored 'General case' 1 C--N 1.478 6.168 0 O-C-N 121.135 -0.978 . . . . 0.0 111.191 177.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -100.44 -23.18 14.8 Favored 'General case' 1 C--N 1.479 6.199 0 CA-C-O 122.146 0.974 . . . . 0.0 110.691 172.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.34 56.92 1.41 Allowed Glycine 1 C--N 1.482 8.656 0 N-CA-C 114.616 0.606 . . . . 0.0 114.616 171.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -135.24 134.73 52.63 Favored 'Isoleucine or valine' 1 C--N 1.481 6.29 0 O-C-N 120.633 -1.51 . . . . 0.0 112.089 170.672 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.871 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.3 p90 -102.39 94.07 5.5 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' CYS . 27.4 t -115.95 165.02 13.58 Favored 'General case' 1 C--N 1.478 6.177 0 O-C-N 120.123 -1.611 . . . . 0.0 111.399 -170.147 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' NH1' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -70.72 153.63 94.77 Favored Pre-proline 1 C--N 1.475 6.036 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 165.283 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -14.63 145.23 0.0 OUTLIER 'Trans proline' 2 C--N 1.469 6.916 1 C-N-CA 127.277 5.318 . . . . 0.0 118.875 -176.908 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.638 ' OG ' HG12 ' A' ' 16' ' ' VAL . 69.7 m 2.72 114.84 0.0 OUTLIER 'General case' 1 C--N 1.487 6.578 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 93.2 m -68.54 156.18 38.52 Favored 'General case' 1 C--N 1.491 6.76 0 CA-C-O 122.665 1.221 . . . . 0.0 109.254 169.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.27 -10.32 18.82 Favored 'General case' 1 C--N 1.477 6.115 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.318 -171.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.02 -174.57 4.93 Favored 'General case' 1 C--N 1.478 6.167 0 CA-C-O 122.594 1.187 . . . . 0.0 109.612 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.73 95.99 0.01 OUTLIER 'General case' 1 C--N 1.488 6.599 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.116 172.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 151.83 20.02 Favored 'General case' 1 C--N 1.479 6.2 0 CA-C-O 122.097 0.951 . . . . 0.0 112.046 -171.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.006 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -100.31 165.61 11.38 Favored 'General case' 1 C--N 1.481 6.326 0 CA-C-O 121.833 0.825 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 171.94 11.4 Favored 'General case' 1 C--N 1.479 6.213 0 CA-C-O 121.977 0.894 . . . . 0.0 110.853 -173.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -69.02 -13.26 62.35 Favored 'General case' 1 C--N 1.482 6.35 0 CA-C-O 121.458 0.646 . . . . 0.0 111.964 172.261 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -87.93 10.93 17.15 Favored 'General case' 1 C--N 1.482 6.341 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -170.778 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' OD1' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -136.92 17.38 3.03 Favored 'General case' 1 C--N 1.469 5.777 0 CA-C-O 124.373 2.035 . . . . 0.0 107.473 171.628 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.01 150.82 6.97 Favored 'Isoleucine or valine' 1 C--N 1.496 6.966 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.819 -164.84 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ALA . 32.0 t -134.1 138.31 45.18 Favored 'General case' 1 C--N 1.476 6.104 0 O-C-N 119.884 -1.76 . . . . 0.0 110.575 171.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.028 ' CE1' ' HB2' ' A' ' 29' ' ' PHE . 20.6 m-85 -120.37 140.45 51.29 Favored 'General case' 1 C--N 1.484 6.453 0 O-C-N 120.375 -1.453 . . . . 0.0 114.601 -170.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.889 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -138.07 156.58 47.64 Favored 'General case' 1 C--N 1.488 6.6 0 O-C-N 121.014 -1.054 . . . . 0.0 110.559 -171.827 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.55 78.63 Favored 'General case' 1 C--N 1.484 6.421 0 O-C-N 119.932 -1.73 . . . . 0.0 113.941 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' OD1' ' HB2' ' A' ' 59' ' ' SER . 2.4 t-20 -152.3 158.66 43.09 Favored 'General case' 1 C--N 1.478 6.176 0 O-C-N 120.972 -1.08 . . . . 0.0 112.223 -174.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.5 68.43 Favored 'General case' 1 C--N 1.483 6.385 0 CA-C-O 121.387 0.613 . . . . 0.0 111.617 -173.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.497 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 4.1 m -59.66 -34.34 72.71 Favored 'General case' 1 C--N 1.479 6.223 0 CA-C-O 121.761 0.791 . . . . 0.0 110.85 -174.665 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' HG2' ' HB3' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -65.86 -55.38 17.34 Favored 'General case' 1 C--N 1.48 6.24 0 CA-C-O 121.582 0.706 . . . . 0.0 111.286 177.009 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -55.77 -28.55 56.58 Favored 'General case' 1 C--N 1.48 6.24 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.83 HD13 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -72.54 -40.69 66.53 Favored 'General case' 1 C--N 1.477 6.114 0 O-C-N 121.127 -0.983 . . . . 0.0 109.865 171.692 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -56.5 -29.07 61.4 Favored 'General case' 1 C--N 1.478 6.172 0 CA-C-O 121.753 0.787 . . . . 0.0 110.98 171.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 61' ' ' ALA . . . -68.73 -33.14 73.43 Favored 'General case' 1 C--N 1.48 6.247 0 CA-C-O 122.305 1.05 . . . . 0.0 110.05 173.26 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.57 32.73 6.16 Favored Glycine 1 C--N 1.483 8.714 0 N-CA-C 110.214 -1.155 . . . . 0.0 110.214 176.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.871 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -103.43 -173.24 2.27 Favored 'General case' 1 C--N 1.481 6.285 0 O-C-N 122.319 -0.518 . . . . 0.0 111.958 -171.942 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -96.47 119.28 64.37 Favored Pre-proline 1 C--N 1.479 6.237 0 O-C-N 120.91 -1.119 . . . . 0.0 112.1 -173.018 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -61.66 97.76 0.15 Allowed 'Trans proline' 1 C--N 1.481 7.526 1 C-N-CA 126.857 5.038 . . . . 0.0 115.16 -179.009 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.592 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 4.3 t -109.69 101.13 10.05 Favored 'General case' 1 C--N 1.478 6.161 0 CA-C-O 124.83 2.252 . . . . 0.0 109.815 178.099 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -77.65 0.42 Allowed 'General case' 1 C--N 1.497 7.017 0 O-C-N 120.534 -1.354 . . . . 0.0 110.409 -174.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.678 ' CZ ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -61.3 -71.9 0.13 Allowed 'General case' 1 C--N 1.477 6.112 0 CA-C-O 122.764 1.269 . . . . 0.0 107.805 170.376 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.43 52.53 0.0 OUTLIER 'General case' 1 C--N 1.479 6.219 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.532 168.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -40.09 111.66 0.76 Allowed Pre-proline 1 C--N 1.474 5.992 0 CA-C-O 122.03 0.919 . . . . 0.0 112.901 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -75.38 -100.89 0.01 OUTLIER 'Trans proline' 1 C--N 1.481 7.533 1 C-N-CA 126.481 4.788 . . . . 0.0 115.004 179.185 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 63.18 82.95 0.17 Allowed 'General case' 1 C--N 1.495 6.922 0 CA-C-N 119.22 0.918 . . . . 0.0 110.182 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -30.91 19.23 Favored 'General case' 1 C--N 1.479 6.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.608 176.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.02 64.38 0.01 OUTLIER 'General case' 1 C--N 1.475 6.035 0 O-C-N 121.674 -0.641 . . . . 0.0 112.458 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 39.48 72.21 1.02 Allowed Pre-proline 1 C--N 1.478 6.193 0 CA-C-O 121.977 0.894 . . . . 0.0 111.244 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -42.71 146.63 0.76 Allowed 'Trans proline' 1 C--N 1.479 7.395 1 C-N-CA 126.259 4.639 . . . . 0.0 114.58 -179.201 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.59 174.93 0.08 Allowed 'General case' 1 C--N 1.48 6.247 0 O-C-N 121.286 -0.883 . . . . 0.0 111.3 173.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -51.99 -174.86 0.0 OUTLIER 'General case' 1 C--N 1.478 6.184 0 CA-C-O 122.083 0.944 . . . . 0.0 111.584 172.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 83' ' ' ARG . 32.4 p80 -79.88 -46.42 16.86 Favored 'General case' 1 C--N 1.48 6.269 0 CA-C-O 121.674 0.749 . . . . 0.0 111.056 -173.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.616 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER 63.23 113.76 0.02 OUTLIER 'General case' 1 C--N 1.478 6.191 0 CA-C-O 121.648 0.737 . . . . 0.0 111.023 -172.669 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 83' ' ' ARG . 0.3 OUTLIER 83.78 64.97 0.01 OUTLIER 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.755 0.788 . . . . 0.0 110.952 173.722 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -168.98 65.23 0.06 Allowed 'General case' 1 C--N 1.479 6.202 0 CA-C-O 121.91 0.862 . . . . 0.0 110.918 172.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 172.06 15.96 Favored 'General case' 1 C--N 1.48 6.267 0 CA-C-O 121.789 0.804 . . . . 0.0 110.976 -176.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -137.03 -75.19 0.12 Allowed 'Isoleucine or valine' 1 C--N 1.48 6.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 -174.015 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.437 ' N ' HG13 ' A' ' 87' ' ' ILE . 4.1 p -137.54 93.71 2.83 Favored 'General case' 1 C--N 1.478 6.189 0 CA-C-O 121.773 0.796 . . . . 0.0 111.027 -175.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 28.09 9.07 Favored 'General case' 1 C--N 1.479 6.221 0 CA-C-O 121.757 0.789 . . . . 0.0 111.053 178.307 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 45.95 52.31 10.02 Favored 'General case' 1 C--N 1.479 6.231 0 CA-C-O 121.707 0.765 . . . . 0.0 111.013 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.73 -58.47 0.16 Allowed 'General case' 1 C--N 1.479 6.197 0 CA-C-O 121.902 0.858 . . . . 0.0 110.958 -173.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 . . . . . 1 C--N 1.479 6.201 0 CA-C-O 122.046 0.927 . . . . 0.0 111.032 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_