data_2kt3_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 2kt3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -100.15 165.01 11.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.904 -172.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -109.65 131.23 55.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.791 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.7 141.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -39.1 1.49 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.22 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.35 66.09 2.98 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.627 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 4.4 mmt 85.35 111.65 0.05 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.16 0.984 . . . . 0.0 110.712 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.66 -17.19 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.646 -172.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 167.28 0.72 Allowed 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.37 78.35 1.37 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.325 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -169.69 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -67.33 -42.7 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.49 173.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB1' ' HD1' ' A' ' 35' ' ' TYR . . . -75.24 48.56 0.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.449 0.642 . . . . 0.0 110.359 174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.22 -49.99 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.756 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -32.45 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.007 173.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 57' ' ' VAL . 4.3 t -65.1 -40.52 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.202 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.657 ' HB2' HG23 ' A' ' 33' ' ' VAL . 1.6 tttm -62.31 -43.0 99.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.946 176.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -59.43 -53.58 56.52 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.279 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.68 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.016 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -51.82 57.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -16.36 60.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.833 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 28' ' ' VAL . 95.7 t -83.69 124.63 74.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.76 133.98 38.71 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.25 1.967 . . . . 0.0 111.821 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.88 -11.37 38.01 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 25' ' ' VAL . 98.8 t -95.29 127.54 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.241 -0.479 . . . . 0.0 109.907 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -45.93 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -154.88 134.35 12.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.47 90.03 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 0.0 109.919 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -80.9 78.7 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.279 0.562 . . . . 0.0 110.886 -176.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 19' ' ' LYS . 1.3 m -84.4 139.42 17.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.768 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.07 109.16 13.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.245 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.596 ' HD1' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -67.92 -44.15 39.64 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -176.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 56.8 Cg_endo -71.13 10.79 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.942 1.761 . . . . 0.0 112.961 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 2.1 mptt -134.45 -32.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.396 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.53 26.56 38.65 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.18 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -116.61 140.13 49.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.101 0.477 . . . . 0.0 111.768 -175.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.53 102.07 9.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.577 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 12.6 mt-30 -90.17 99.92 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD22 HD21 ' A' ' 53' ' ' LEU . 1.8 mt -92.4 119.15 31.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.068 0.461 . . . . 0.0 111.56 -174.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.36 79.62 3.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.163 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.736 HG21 HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -101.3 164.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.968 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -75.31 129.51 82.22 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.4 131.34 22.91 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.654 2.236 . . . . 0.0 111.452 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.34 -36.71 3.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.78 115.41 13.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 110.042 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.32 129.25 94.01 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.529 -175.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 32.2 Cg_exo -59.14 -37.93 89.41 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.579 2.186 . . . . 0.0 112.161 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 31.9 t70 -66.33 -21.34 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.413 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.15 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.207 0.527 . . . . 0.0 110.105 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD13 HG21 ' A' ' 44' ' ' ILE . 1.7 mt -72.17 -41.81 66.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.495 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 m -59.11 -41.04 87.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.972 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.91 -36.63 83.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.34 94.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 18' ' ' VAL . 98.3 t -69.64 -39.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.931 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.11 -42.51 96.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.82 -17.13 76.59 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.222 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -6.01 46.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.09 -6.02 53.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.038 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 56.0 m-85 -103.82 -178.92 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 128.42 41.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.0 0.428 . . . . 0.0 110.636 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.88 27.66 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.357 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.61 133.74 31.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.562 0.22 . . . . 0.0 110.701 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 HD23 HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -70.85 98.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.272 -178.324 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 p80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.543 0.687 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 50' ' ' PRO . 4.6 mt -105.92 155.38 19.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.835 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.73 129.47 44.76 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.17 148.27 5.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.353 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -147.11 159.99 42.95 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.71 -49.08 1.45 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.526 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.556 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtm -153.65 97.22 2.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.506 . . . . 0.0 109.824 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -24.03 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.581 -172.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 161.04 3.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -44.12 -51.12 8.26 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -172.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -27.6 56.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.791 0.329 . . . . 0.0 111.737 -169.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -83.38 -41.81 17.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.991 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB2' ' HD1' ' A' ' 35' ' ' TYR . . . -75.94 49.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.576 0.703 . . . . 0.0 110.283 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.98 -38.54 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.501 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -65.06 -40.01 94.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.302 170.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.25 -40.54 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.711 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HZ1' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -61.91 -38.57 88.86 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -49.28 72.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.47 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 60' ' ' LEU . . . -60.08 -40.92 91.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.064 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.87 -45.31 82.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 10.6 mt-10 -70.29 -17.89 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.455 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -14.95 61.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.99 0.424 . . . . 0.0 109.974 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 90.6 t -83.53 123.28 76.75 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.1 Cg_exo -79.23 44.71 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.007 2.472 . . . . 0.0 113.232 -174.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.85 -4.33 5.2 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 169.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 HG21 ' A' ' 44' ' ' ILE . 75.0 t -96.11 126.21 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.409 -0.896 . . . . 0.0 110.993 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -87.81 -43.76 11.61 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 m -160.81 163.48 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.007 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.58 121.68 13.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.913 0.387 . . . . 0.0 111.01 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.53 89.14 3.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.23 0.538 . . . . 0.0 109.901 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -90.85 119.09 37.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.885 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.02 102.52 13.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.146 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.54 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.53 -49.88 85.1 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 12.3 Cg_exo -71.14 10.63 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.284 1.989 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -8.81 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.949 0.404 . . . . 0.0 110.441 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 33.09 81.77 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.957 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 142.15 51.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.961 0.41 . . . . 0.0 111.6 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 33' ' ' VAL . . . -115.58 100.36 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.228 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -85.11 93.73 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD22 HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.81 134.86 36.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.214 0.53 . . . . 0.0 111.654 -174.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.92 1.74 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.972 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.626 HG23 HD12 ' A' ' 53' ' ' LEU . 1.6 pt -96.91 160.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.175 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 47' ' ' GLY . 61.7 t -72.11 134.59 82.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.477 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.02 -17.42 19.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.146 2.564 . . . . 0.0 113.588 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.503 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -64.63 -30.6 78.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.677 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.82 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 175.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.14 141.61 14.98 Favored Pre-proline 0 N--CA 1.442 -0.867 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.144 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 4' ' ' LEU . 37.6 Cg_exo -60.01 -27.57 85.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.9 2.4 . . . . 0.0 112.972 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 1.5 p30 -66.96 -21.84 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.805 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.75 -40.08 49.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.626 HD12 HG23 ' A' ' 44' ' ' ILE . 1.1 mt -71.27 -44.0 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.658 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.622 HG23 ' HB2' ' A' ' 64' ' ' ALA . 10.1 m -59.96 -41.1 91.21 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.123 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 51' ' ' ASP . . . -66.26 -37.03 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.868 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.12 90.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.478 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG12 ' HB2' ' A' ' 62' ' ' TYR . 63.4 t -67.85 -41.95 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.86 82.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.595 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.41 -17.14 67.17 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.367 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 178.428 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.69 -6.67 27.88 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.067 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.63 ' HB2' HG12 ' A' ' 57' ' ' VAL . 66.1 m-85 -98.12 -170.04 1.91 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 5.2 tptt -131.07 133.12 45.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.75 0.31 . . . . 0.0 110.182 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.622 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -141.69 155.31 45.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.074 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 116.89 18.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.569 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 98.99 3.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.374 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 -173.227 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.893 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.094 0 CA-C-O 121.268 0.556 . . . . 0.0 112.126 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -118.45 -170.83 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.649 176.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -130.23 140.37 50.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' A' ' 9' ' ' MET . 2.9 tt -111.52 137.95 42.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.54 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.12 -32.59 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.523 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.16 13.21 58.09 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.72 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.652 ' SD ' ' HA ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -86.63 124.5 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.741 -0.27 . . . . 0.0 110.525 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -13.76 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 0.0 109.745 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 p 177.63 -121.07 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.889 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -113.64 -26.18 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.606 -0.437 . . . . 0.0 112.151 -167.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -51.68 68.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.349 0.595 . . . . 0.0 110.516 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -40.89 96.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.158 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.45 46.89 0.45 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.36 -41.62 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.208 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HB3' ' HH ' ' A' ' 62' ' ' TYR . 2.0 t60 -70.04 -41.01 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG13 HD22 ' A' ' 22' ' ' LEU . 6.0 t -63.86 -42.84 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.328 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -60.38 -44.87 95.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.319 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.1 -50.41 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.25 96.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.17 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD22 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -65.96 -49.43 67.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.12 -11.79 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 111.181 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -16.88 60.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.184 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.06 124.31 72.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.38 58.11 5.02 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.995 2.463 . . . . 0.0 112.511 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.97 35.39 0.62 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 44' ' ' ILE . 55.3 t -142.57 125.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.746 -0.727 . . . . 0.0 109.716 -170.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -94.49 -42.36 8.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -154.81 119.54 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.11 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -101.84 120.98 41.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.39 71.33 1.33 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.244 0.545 . . . . 0.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -71.56 114.98 10.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.794 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.11 112.24 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.986 0.422 . . . . 0.0 111.632 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.652 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -60.52 -43.3 92.29 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.677 177.288 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 25.9 Cg_endo -61.91 0.83 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 121.974 1.782 . . . . 0.0 113.554 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -24.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.727 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' HA2' ' SD ' ' A' ' 9' ' ' MET . . . 78.82 19.82 72.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.786 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.77 140.99 48.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 -175.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.42 85.36 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.325 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.893 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 26.0 mt-30 -75.38 87.39 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.99 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -108.45 125.17 51.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.432 -175.731 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.45 78.59 7.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.82 153.95 3.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.147 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.01 137.55 69.18 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.233 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.09 123.12 12.72 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.874 2.382 . . . . 0.0 111.82 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.3 -36.85 2.39 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.92 110.44 17.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.96 0.41 . . . . 0.0 110.193 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -74.47 140.79 75.89 Favored Pre-proline 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.603 -176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.02 -26.9 83.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 112.328 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.66 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.49 59.56 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.499 0.666 . . . . 0.0 109.856 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 4' ' ' LEU . 3.4 mp -72.22 -45.03 61.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.121 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -57.54 -42.86 83.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.897 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.74 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.008 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.68 88.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.97 -37.71 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.052 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.49 -40.04 95.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.396 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.05 -9.63 80.05 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.607 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -13.61 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.94 0.4 . . . . 0.0 111.33 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.86 -4.25 19.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HH ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -118.93 -163.3 0.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 152.6 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 -177.86 6.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.343 0.592 . . . . 0.0 111.642 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.23 -159.1 0.99 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.23 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.04 147.84 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.738 178.166 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.008 0.433 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -138.42 138.65 38.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -80.21 126.6 31.31 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.503 HG21 HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -93.56 143.73 10.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.59 152.82 45.77 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 -46.75 1.12 Allowed Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.492 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -169.67 141.02 2.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.785 HG21 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.89 -53.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -33.55 -52.25 0.39 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -164.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -172.88 153.13 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.993 0.361 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m 74.12 -52.39 0.69 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.701 . . . . 0.0 112.537 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HB3' ' HH ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.83 -52.97 62.01 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.118 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.1 51.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.397 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.238 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.01 -33.86 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 167.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.9 -39.22 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.29 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HZ1' ' CD ' ' A' ' 23' ' ' GLU . 6.7 tttm -63.83 -38.32 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -50.01 74.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.075 0.464 . . . . 0.0 110.383 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -63.94 -35.73 81.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD12 HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 175.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.493 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 10.2 mt-10 -68.74 -13.98 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.926 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 24' ' ' LYS . 1.1 ttmm -73.56 -13.57 61.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.287 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.71 122.98 78.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -79.81 48.81 2.98 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.635 2.223 . . . . 0.0 113.449 -173.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.59 10.12 1.45 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' LEU . 42.6 t -96.69 122.51 48.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.245 -174.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -44.35 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.012 0.434 . . . . 0.0 109.872 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -154.73 122.2 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.531 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.38 78.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.241 0.544 . . . . 0.0 110.004 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.4 84.09 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.29 131.5 34.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -97.78 91.76 5.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.299 0.571 . . . . 0.0 110.167 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.656 ' HD1' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -57.86 -51.38 82.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.442 -178.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 7.2 Cg_exo -74.4 16.62 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.734 2.289 . . . . 0.0 112.919 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.65 -32.08 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.41 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.785 ' HA2' HG21 ' A' ' 10' ' ' THR . . . 92.29 15.89 51.97 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.234 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 165.62 20.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -125.78 131.67 52.43 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.569 0.224 . . . . 0.0 110.631 177.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.6 91.1 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 ' HB1' ' A' ' 40' ' ' ALA . 1.2 mp -101.88 101.71 12.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.34 0.591 . . . . 0.0 110.801 -174.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.12 83.19 4.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.778 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.567 HG23 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.79 167.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.649 177.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -75.24 146.94 82.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.189 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.89 95.84 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.806 2.338 . . . . 0.0 111.928 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.07 -35.85 0.45 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.08 125.58 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.842 0.353 . . . . 0.0 110.552 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 139.22 82.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.04 -31.98 54.31 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.19 1.927 . . . . 0.0 111.995 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -67.04 -18.3 65.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.852 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 -37.34 57.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.311 0.577 . . . . 0.0 110.188 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.63 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 mp -75.19 -51.87 12.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.921 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -55.35 -45.2 76.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.353 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.19 78.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.07 99.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.744 0.306 . . . . 0.0 110.276 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.548 HG13 ' HB1' ' A' ' 64' ' ' ALA . 40.4 t -73.84 -40.81 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.442 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.1 78.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.341 0.591 . . . . 0.0 110.343 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.18 75.97 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.494 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -74.29 4.48 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.403 . . . . 0.0 111.22 176.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.42 24.09 44.79 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.492 ' HE1' ' HB2' ' A' ' 9' ' ' MET . 69.3 m-85 -132.35 -160.16 1.02 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -140.96 152.99 45.41 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -152.04 154.71 36.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.554 176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.12 126.13 19.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.967 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 99.1 2.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.332 0.587 . . . . 0.0 111.435 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.612 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 66' ' ' LEU . 59.8 mt -120.51 151.38 39.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 8.1 ttpt -111.48 124.18 51.75 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.708 HG12 ' HB3' ' A' ' 9' ' ' MET . 1.3 tt -89.71 114.43 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.422 0.63 . . . . 0.0 110.349 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -18.96 19.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.505 -174.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.58 -10.14 73.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.649 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.708 ' HB3' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.68 142.78 27.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.74 9.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.693 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 3.1 p 176.98 -169.94 0.07 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.797 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 4.2 p-10 -60.77 -29.04 69.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -170.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -55.68 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 111.96 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.54 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.43 45.78 0.4 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 0.0 111.517 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.4 -42.06 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.837 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 12.6 t-160 -63.92 -33.67 76.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 170.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 5.4 t -68.59 -39.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.705 176.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -61.39 -44.77 96.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.62 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.79 -53.28 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.92 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.067 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -65.16 -54.53 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.578 ' HG3' HG12 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -66.77 -15.04 63.29 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.725 0.298 . . . . 0.0 111.407 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -24.97 59.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.174 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 42.6 t -81.68 124.88 79.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.6 Cg_exo -77.06 43.58 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.759 2.306 . . . . 0.0 113.12 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 -4.55 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 23' ' ' GLU . 42.0 t -97.06 151.43 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.384 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.531 ' N ' HG13 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -132.34 -30.71 1.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.98 0.419 . . . . 0.0 109.988 175.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.401 ' HB2' ' HB1' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -155.14 101.31 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.965 171.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.12 104.52 15.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.855 0.359 . . . . 0.0 110.559 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -108.83 93.34 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.245 0.545 . . . . 0.0 110.657 -176.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.63 114.27 30.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.129 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -93.5 117.77 30.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -69.59 -49.83 20.57 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -175.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.589 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.9 Cg_exo -70.18 9.9 0.61 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.143 1.896 . . . . 0.0 112.744 -176.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -134.37 -26.76 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.93 25.48 71.47 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.818 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.17 140.46 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.092 0.472 . . . . 0.0 111.315 -175.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.15 112.76 25.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.332 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -99.08 111.04 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD21 HD22 ' A' ' 22' ' ' LEU . 1.7 mp -114.63 126.96 55.49 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.638 -170.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 30' ' ' SER . . . -101.3 77.82 1.83 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 168.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 HD12 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -93.44 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.332 -175.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 ' HD2' ' A' ' 46' ' ' PRO . 92.6 t -73.5 141.07 79.46 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.619 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.729 ' HD2' HG12 ' A' ' 45' ' ' VAL . 9.2 Cg_endo -52.89 -18.97 10.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.157 2.571 . . . . 0.0 113.683 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.17 37.17 3.44 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.41 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.51 125.18 14.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.959 0.409 . . . . 0.0 110.851 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.84 139.99 35.24 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.35 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' CB ' HD12 ' A' ' 66' ' ' LEU . 75.0 Cg_exo -56.13 -35.53 95.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 112.671 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.14 67.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.273 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.02 -38.57 52.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.304 0.573 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 44' ' ' ILE . 1.1 mt -71.7 -43.13 66.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.24 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.9 m -57.73 -42.83 84.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.916 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.15 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.019 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.9 97.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 62' ' ' TYR . 80.3 t -70.98 -42.53 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.268 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HB2' ' HE2' ' A' ' 63' ' ' LYS . . . -63.82 -42.79 97.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.158 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.74 -22.26 79.15 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.588 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -3.63 31.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 111.059 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.4 -6.68 39.22 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.901 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.837 ' HH ' ' HD1' ' A' ' 17' ' ' HIS . 48.8 m-85 -101.38 -161.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.54 147.08 30.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.97 38.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.667 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.18 139.92 33.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.0 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.557 ' HA ' HD22 ' A' ' 4' ' ' LEU . 10.1 tp -75.29 83.94 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.695 0.76 . . . . 0.0 110.603 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 5' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.43 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.719 ' HG ' ' HB3' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -112.5 135.74 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 167.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 6.8 ttpt -96.96 127.74 43.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.708 0.29 . . . . 0.0 110.39 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 tp -84.37 123.93 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.55 -17.45 6.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.02 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.79 -28.58 68.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.165 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.495 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -177.06 122.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -33.59 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -172.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.84 157.87 4.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -172.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.633 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -43.34 -57.34 3.07 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 113.502 -1.681 . . . . 0.0 114.436 -172.066 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 -33.2 67.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.403 . . . . 0.0 111.769 -172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -69.4 -49.01 59.27 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.639 ' HB3' ' HD1' ' A' ' 35' ' ' TYR . . . -76.56 50.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.41 0.624 . . . . 0.0 110.441 174.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 12' ' ' ASP . . . -160.92 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.025 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.879 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 18.8 t-160 -60.79 -36.31 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 166.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.03 -45.76 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.17 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.22 88.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.414 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.91 -50.7 65.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . . . -57.34 -42.39 81.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.78 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -39.78 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.38 -15.38 61.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 21' ' ' ALA . 5.5 mtpt -73.32 -18.44 61.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 109.854 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 12.5 t -85.64 123.03 73.11 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.49 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.0 Cg_exo -78.98 59.81 7.53 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.065 2.51 . . . . 0.0 112.289 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.61 48.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 17.5 t -142.65 123.68 11.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.832 0.349 . . . . 0.0 110.278 -171.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.93 -33.38 11.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.119 0.485 . . . . 0.0 110.181 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -153.81 144.01 22.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.865 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -136.42 75.56 1.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.065 0.46 . . . . 0.0 110.024 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.19 82.21 7.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 110.674 -175.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -76.73 131.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.358 177.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.645 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -118.39 90.36 3.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.69 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' HD1' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -55.22 -55.36 40.32 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.609 -174.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 32.9 Cg_endo -63.91 -20.64 68.45 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.899 1.733 . . . . 0.0 112.598 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.645 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 4.9 mtpt -95.76 -9.16 32.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.405 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 25.93 73.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.129 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.84 149.55 38.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.469 0.652 . . . . 0.0 112.151 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -130.1 98.7 4.82 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.703 170.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.13 88.94 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.719 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -105.73 114.88 29.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -175.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.28 86.74 5.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.805 HG23 HD13 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -82.65 155.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.701 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -76.71 132.28 72.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.433 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -52.26 132.03 42.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.645 2.23 . . . . 0.0 111.684 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.23 -37.42 2.77 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -170.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 178.23 8.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.873 -0.664 . . . . 0.0 109.669 170.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -151.7 143.34 15.92 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HB3' HD12 ' A' ' 66' ' ' LEU . 36.8 Cg_exo -56.9 -31.8 90.38 Favored 'Trans proline' 0 CA--C 1.518 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 112.731 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 13.9 t70 -57.99 -31.78 67.26 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.529 0.518 . . . . 0.0 110.235 177.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -76.58 -30.86 57.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD13 HG23 ' A' ' 44' ' ' ILE . 1.4 mt -80.48 -48.45 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.081 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 m -54.86 -46.78 74.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.936 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.31 -37.21 84.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.033 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -60.99 -40.06 92.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.564 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' HB2' ' A' ' 62' ' ' TYR . 43.9 t -74.23 -40.87 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.21 92.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.392 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.99 -12.53 84.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.607 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -78.36 -0.6 29.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.6 -8.06 59.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.7 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.879 ' HH ' ' HD1' ' A' ' 17' ' ' HIS . 53.0 m-85 -101.85 -152.85 0.44 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -155.66 141.39 17.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.88 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.08 154.73 45.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.69 114.13 7.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.256 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -62.77 145.49 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 120.772 0.32 . . . . 0.0 110.282 -176.029 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t60 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.02 0.438 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt -117.65 152.77 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -112.76 136.71 52.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 tt -89.82 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.73 -26.36 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 0.0 111.447 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.28 74.76 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.208 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.85 -172.65 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 11' ' ' CYS . 1.2 t -155.72 -41.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.845 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.21 -124.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -109.4 -82.27 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 120.821 -1.174 . . . . 0.0 113.179 -162.018 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.79 63.17 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.681 0.393 . . . . 0.0 111.955 -172.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -54.85 29.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.206 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.54 49.65 0.62 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.38 0.609 . . . . 0.0 110.729 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.87 -41.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -70.54 -35.8 73.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.19 -37.52 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.831 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tttm -64.25 -39.52 94.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.995 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.78 -53.71 54.73 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.08 0.467 . . . . 0.0 110.107 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -60.6 -37.08 80.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.251 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -47.67 75.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.758 ' HA ' HG11 ' A' ' 28' ' ' VAL . 52.1 mt-10 -71.87 -15.71 62.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.33 -25.82 59.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.114 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 55.1 t -71.37 123.79 89.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.928 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 24.1 Cg_exo -64.27 132.62 34.51 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.38 2.053 . . . . 0.0 111.65 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.09 -18.72 23.52 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.758 HG11 ' HA ' ' A' ' 23' ' ' GLU . 69.1 t -95.31 121.79 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.069 -0.565 . . . . 0.0 110.167 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -96.54 -44.6 7.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 0.0 110.732 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.42 136.5 15.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.169 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.646 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -114.58 109.29 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.155 0.502 . . . . 0.0 110.516 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.98 73.97 2.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.625 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' H ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -70.43 116.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.08 -177.36 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.51 83.03 4.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.477 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.845 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -54.77 -50.19 87.28 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.068 -174.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 41.9 Cg_endo -68.15 9.97 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.007 1.804 . . . . 0.0 113.617 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -133.35 -5.86 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.714 0.293 . . . . 0.0 110.36 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.88 23.09 70.79 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.689 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 144.78 40.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.537 . . . . 0.0 111.612 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.47 101.61 9.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.186 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.19 129.79 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.21 128.79 38.69 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.972 -174.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.94 82.29 2.97 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.572 HG21 ' HA ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -100.29 170.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.201 -176.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 74.8 t -74.56 122.25 87.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.027 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 45' ' ' VAL . 9.8 Cg_endo -53.51 103.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.104 2.536 . . . . 0.0 111.915 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.26 -31.94 1.4 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.311 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -71.61 118.77 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.75 138.98 88.28 Favored Pre-proline 0 N--CA 1.442 -0.826 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.475 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.514 ' HA ' HD11 ' A' ' 53' ' ' LEU . 26.8 Cg_endo -62.04 -19.15 65.21 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.528 2.152 . . . . 0.0 112.191 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.541 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -62.88 -32.74 74.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.083 174.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.5 60.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 50' ' ' PRO . 1.2 mp -72.71 -45.16 60.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.493 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.6 m -57.55 -42.88 83.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.924 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 51' ' ' ASP . . . -66.29 -34.92 79.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.324 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.95 94.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 64' ' ' ALA . 48.9 t -68.67 -34.89 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.872 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -48.14 74.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.251 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.21 -13.03 73.01 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.331 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.27 -10.76 59.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.006 0.432 . . . . 0.0 110.618 174.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.01 10.64 45.33 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.37 -150.78 0.46 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -155.28 135.84 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.437 ' HB2' ' HB ' ' A' ' 57' ' ' VAL . . . -119.72 166.73 12.84 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.71 122.55 21.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.96 122.74 24.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.0 110.288 178.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.943 179.626 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 4' ' ' LEU . 1.8 mm? -82.37 122.35 27.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.442 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 138.05 32.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 6' ' ' ILE . 2.0 tp -98.41 140.36 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.183 0.516 . . . . 0.0 110.541 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.01 -9.44 2.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.659 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.688 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -82.48 55.7 4.98 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtm 78.18 124.3 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 124.777 0.928 . . . . 0.0 109.954 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 HG23 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -88.45 -21.64 24.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.292 -171.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 159.38 4.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 1.5 p-10 -52.69 -58.28 7.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.649 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -45.81 64.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.77 -49.81 42.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.79 49.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 111.124 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.59 -41.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -68.56 -36.48 78.85 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 109.387 171.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG13 HD13 ' A' ' 22' ' ' LEU . 71.4 t -62.19 -39.81 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.066 172.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HZ3' ' CD ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -61.63 -38.11 86.45 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.992 176.166 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 35.8 mt-10 -60.66 -52.24 65.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 110.943 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD21 HD21 ' A' ' 53' ' ' LEU . 33.8 mt -66.51 -52.57 44.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.475 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 4.6 mt-10 -72.91 -11.53 60.62 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.407 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -23.89 59.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' A' ' 26' ' ' PRO . 57.2 t -73.07 123.05 89.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' A' ' 25' ' ' VAL . 92.9 Cg_endo -80.15 44.14 1.66 Allowed 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.574 2.182 . . . . 0.0 113.486 -172.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.02 1.8 5.07 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.5 t -96.44 134.2 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.686 -0.757 . . . . 0.0 110.666 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -44.63 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 m -156.14 126.96 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.461 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.2 100.25 9.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.924 0.392 . . . . 0.0 109.956 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mt -100.08 84.31 2.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.084 0.469 . . . . 0.0 110.646 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' H ' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -79.46 136.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.16 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.56 96.55 5.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.533 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -56.98 -51.96 77.71 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 35.2 Cg_endo -66.09 -20.86 56.64 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.799 1.666 . . . . 0.0 112.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.38 -19.59 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.642 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA2' HG23 ' A' ' 10' ' ' THR . . . 70.12 27.75 72.53 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.407 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.23 146.78 51.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 111.565 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.775 ' HB3' HD11 ' A' ' 42' ' ' LEU . . . -115.69 108.77 16.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.539 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -79.34 80.37 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 40' ' ' ALA . 1.5 mp -86.93 103.28 15.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.868 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.11 79.4 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.483 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.573 HG22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -89.87 157.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.44 133.57 91.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.202 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.25 111.94 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.211 2.607 . . . . 0.0 112.394 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.02 -36.97 1.91 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.54 ' HB ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -77.18 109.81 11.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 175.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.52 130.55 90.54 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.33 -176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.638 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.1 Cg_exo -56.08 -30.08 77.29 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.744 2.296 . . . . 0.0 112.572 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.15 -27.3 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 110.446 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.98 -33.11 59.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.452 0.644 . . . . 0.0 110.016 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.755 HD21 HD21 ' A' ' 22' ' ' LEU . 1.2 mt -75.1 -41.72 58.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.12 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -58.28 -44.39 88.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.114 173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.652 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.31 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.757 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.4 -38.65 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.386 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.89 87.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 110.25 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.2 -13.51 82.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.495 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.72 -7.88 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.061 0.458 . . . . 0.0 110.612 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.62 10.25 50.76 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.557 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.688 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 57.0 m-85 -119.89 -154.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.41 135.61 21.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.828 0.347 . . . . 0.0 111.185 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.12 163.19 37.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.543 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.37 141.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.793 0.33 . . . . 0.0 111.164 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.494 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.77 104.28 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.305 177.306 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.416 179.583 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.3 m170 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.533 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -135.98 174.04 11.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -119.16 135.78 54.5 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.935 0.398 . . . . 0.0 110.83 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.94 134.8 34.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -14.71 3.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -72.58 -27.42 69.43 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.461 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.454 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -178.25 128.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.67 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -115.46 -59.25 2.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -34.12 -55.11 0.5 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 -164.287 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.26 172.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.594 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m 70.44 -67.01 0.26 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.641 0.588 . . . . 0.0 111.398 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.23 -49.39 77.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.636 ' HB2' ' HD1' ' A' ' 35' ' ' TYR . . . -76.04 50.79 0.62 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.324 0.583 . . . . 0.0 110.806 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.09 -43.92 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.07 -34.41 76.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 169.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.33 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.244 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -39.42 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.907 175.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.83 -52.05 67.09 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 24' ' ' LYS . . . -59.66 -37.99 80.22 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.116 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.606 HD21 HD23 ' A' ' 53' ' ' LEU . 29.9 mt -64.56 -47.79 77.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.21 -6.64 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 3.4 tttt -73.78 -28.28 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.89 131.41 79.19 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.12 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.71 146.2 78.01 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.333 2.022 . . . . 0.0 112.408 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.47 -13.74 63.99 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.552 ' HA ' HG22 ' A' ' 44' ' ' ILE . 51.2 t -95.04 112.55 27.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 1.6 tt0 -87.06 -54.32 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.819 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m -154.15 116.36 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -96.55 111.98 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -104.09 93.33 4.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.431 ' H ' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -93.74 127.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 -179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 m -94.81 101.6 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.91 -55.77 40.21 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 14.49 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.839 1.693 . . . . 0.0 113.005 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -133.25 -10.34 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.06 16.84 64.88 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.421 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.61 135.76 45.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.938 0.399 . . . . 0.0 111.441 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' HG11 ' A' ' 33' ' ' VAL . . . -112.02 104.04 12.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.5 80.02 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.653 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.31 127.09 39.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -176.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 29' ' ' GLN . . . -84.33 81.55 8.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -92.52 149.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.38 177.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 46' ' ' PRO . 1.5 t -74.97 136.47 73.28 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 45' ' ' VAL . 9.3 Cg_endo -52.67 -11.78 1.48 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.869 3.046 . . . . 0.0 114.856 -174.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.23 -23.1 78.17 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.46 177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.5 -172.59 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.753 0.311 . . . . 0.0 110.682 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.25 136.24 10.28 Favored Pre-proline 0 N--CA 1.439 -1.021 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.584 -175.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HB2' HD11 ' A' ' 66' ' ' LEU . 75.9 Cg_exo -54.25 -30.08 60.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.476 2.784 . . . . 0.0 113.501 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 8.5 t70 -58.01 -32.37 67.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.541 176.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.4 60.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.203 0.525 . . . . 0.0 110.308 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.606 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.17 -46.35 42.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.784 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -57.88 -43.86 86.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.301 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.11 -35.08 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.967 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.15 92.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.682 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.8 -39.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.394 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.53 -44.35 91.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 -13.61 79.57 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.494 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -3.48 31.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.647 174.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.54 3.0 59.89 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.858 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 61.1 m-85 -116.93 -175.64 2.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' H ' ' HA3' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -116.4 142.08 47.32 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.734 0.302 . . . . 0.0 110.97 -178.139 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.61 153.12 39.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.88 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.75 138.93 43.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.457 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -70.23 108.07 4.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.533 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.744 ' HB2' ' HA ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.956 0.407 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 66' ' ' LEU . 2.8 mm? -104.5 154.9 19.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.411 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -112.16 123.44 50.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -86.64 140.29 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.478 -176.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.86 -39.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.68 73.05 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.083 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.478 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -173.04 125.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.95 -50.26 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -165.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -59.15 -120.65 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -169.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 41.0 t0 -104.22 169.75 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.777 -0.577 . . . . 0.0 109.93 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 71.23 -55.66 0.65 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.546 0.739 . . . . 0.0 110.922 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.9 -52.91 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 176.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.86 49.04 0.51 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.219 0.533 . . . . 0.0 110.748 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.06 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.234 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -62.43 -35.79 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.355 0.598 . . . . 0.0 109.668 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG12 HG12 ' A' ' 57' ' ' VAL . 31.1 t -67.22 -39.32 82.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.693 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.607 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -62.91 -40.51 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.914 177.041 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -65.18 -44.53 88.15 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.79 93.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.386 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.575 ' HG ' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.59 -42.91 91.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.555 177.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.31 -27.53 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 111.05 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -18.34 60.67 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.88 127.77 60.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.57 144.03 97.38 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.654 2.236 . . . . 0.0 112.636 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.52 ' O ' HG21 ' A' ' 45' ' ' VAL . . . 91.8 -3.08 77.49 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.21 99.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -45.33 38.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.427 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.79 160.62 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . . . -128.97 148.02 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.978 0.418 . . . . 0.0 110.928 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -132.0 85.85 2.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.823 178.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.42 131.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.66 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.29 106.63 14.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.105 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.654 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -63.86 -49.12 77.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.317 -176.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 60.1 Cg_endo -72.24 15.64 0.4 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.219 1.946 . . . . 0.0 113.177 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 35' ' ' TYR . 2.9 mtmm -134.41 -39.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.9 0.381 . . . . 0.0 110.362 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.87 20.77 38.55 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.589 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.06 129.86 45.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 111.272 -177.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.2 78.96 1.16 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.951 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 3.4 mt-30 -78.3 151.07 33.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.575 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -150.49 142.48 23.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.322 0.582 . . . . 0.0 111.77 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.15 80.3 1.83 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.01 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 ' HB ' ' H ' ' A' ' 45' ' ' VAL . 2.2 pt -93.35 -165.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.521 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -159.59 148.74 14.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 45' ' ' VAL . 3.7 Cg_exo -39.99 118.66 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.956 3.104 . . . . 0.0 112.793 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.67 -42.17 1.39 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.04 95.16 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.519 0.676 . . . . 0.0 109.852 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.27 139.04 97.61 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.239 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -34.46 98.93 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.295 1.997 . . . . 0.0 112.14 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.34 58.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.398 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -52.98 15.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.558 0.694 . . . . 0.0 109.419 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -56.29 -44.14 79.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.318 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.86 -34.36 77.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.245 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.822 0.344 . . . . 0.0 110.457 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.804 HG13 ' HB2' ' A' ' 64' ' ' ALA . 41.8 t -74.88 -40.63 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.174 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.92 95.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.96 81.31 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.285 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.89 -0.29 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.775 174.247 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.93 2.5 69.11 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.759 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.94 -165.43 1.02 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -144.95 127.49 16.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.866 0.365 . . . . 0.0 110.322 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.804 ' HB2' HG13 ' A' ' 57' ' ' VAL . . . -137.39 165.45 26.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.964 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.96 142.38 44.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.648 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 4' ' ' LEU . 25.4 tp -75.23 103.38 5.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 0.0 110.036 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.598 -177.773 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -135.66 149.57 49.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.752 0.311 . . . . 0.0 110.313 176.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 137.75 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.398 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mm -95.92 141.44 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.876 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.23 137.34 32.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.132 -176.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.79 -48.26 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.729 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.508 ' HG2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.97 97.58 1.82 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -97.67 -14.99 20.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.111 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 158.02 3.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -48.21 -49.53 32.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.011 -0.995 . . . . 0.0 113.555 -170.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -48.68 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 111.696 -176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' SG ' ' HG2' ' A' ' 9' ' ' MET . 1.7 m -73.47 -40.04 64.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.18 43.07 0.28 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.462 0.648 . . . . 0.0 110.944 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 14' ' ' CYS . . . -161.32 -33.41 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.935 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -33.33 75.6 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.69 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.531 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -63.61 -38.7 92.12 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.038 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.02 -48.29 82.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 0.0 110.452 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' HD13 ' A' ' 60' ' ' LEU . . . -60.75 -42.05 96.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.867 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.728 ' HG ' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -66.23 -35.25 79.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 177.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.07 -22.47 63.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.108 0.48 . . . . 0.0 110.409 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -18.93 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.944 174.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -83.53 123.31 76.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.14 44.2 1.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.458 2.105 . . . . 0.0 113.122 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.65 20.02 2.57 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.08 156.28 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.682 -0.759 . . . . 0.0 111.28 -174.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 6.2 mt-30 -134.31 -43.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' HB1' ' A' ' 43' ' ' ALA . 16.5 m -153.5 155.39 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.623 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -152.58 83.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.033 0.444 . . . . 0.0 110.682 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -91.42 77.72 5.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.194 0.521 . . . . 0.0 111.087 -176.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.3 t -80.59 110.09 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.982 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.86 122.62 44.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 111.607 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -68.43 -43.37 31.67 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.216 177.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.54 8.97 0.46 Allowed 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.259 1.973 . . . . 0.0 113.038 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -137.29 -34.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.002 0.429 . . . . 0.0 110.27 177.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 19.28 59.12 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.439 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 p -116.67 127.69 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 111.329 -173.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.644 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -90.14 103.25 15.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.93 82.49 8.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.359 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.728 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.26 150.34 20.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.443 0.639 . . . . 0.0 111.135 -176.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -132.32 79.16 1.84 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.245 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 165.56 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.217 175.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 HG21 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -71.97 138.87 82.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 179.51 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' HG21 ' A' ' 45' ' ' VAL . 44.4 Cg_exo -58.39 100.34 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.098 2.532 . . . . 0.0 111.841 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.85 -27.73 0.59 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.06 124.86 30.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.156 -0.522 . . . . 0.0 109.816 173.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -75.07 136.9 72.66 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 -176.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 34.8 Cg_exo -58.56 -31.6 94.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.013 2.476 . . . . 0.0 112.812 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.11 -22.44 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.49 60.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.178 0.513 . . . . 0.0 109.917 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.0 mp -72.75 -46.89 51.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.224 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.59 HG22 ' HB3' ' A' ' 64' ' ' ALA . 3.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.273 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.55 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.633 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.44 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.475 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.2 t -70.9 -44.45 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.372 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -61.61 -45.08 95.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 110.644 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.14 -17.24 78.62 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 21' ' ' ALA . 1.2 tp -72.97 -21.9 60.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.79 0.329 . . . . 0.0 110.406 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.78 -16.31 7.85 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.72 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 32.3 m-85 -97.62 -177.16 3.7 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 142.93 49.22 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.59 ' HB3' HG22 ' A' ' 54' ' ' THR . . . -137.22 157.51 46.49 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.22 128.98 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.928 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.05 125.49 26.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.282 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.278 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.874 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -118.98 161.23 20.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.232 0.539 . . . . 0.0 111.398 -174.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -103.44 129.61 50.6 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.108 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 tp -74.88 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 165.65 27.79 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.45 -22.67 35.97 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.928 -1.13 . . . . 0.0 111.782 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.53 12.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.24 17.18 3.43 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -162.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 1.6 p -177.2 -164.46 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 17.1 t70 -44.52 -69.37 0.14 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.267 -1.788 . . . . 0.0 115.596 -162.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -41.12 65.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.442 0.639 . . . . 0.0 111.992 -169.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -46.54 54.03 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.387 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.77 47.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.141 0.496 . . . . 0.0 111.132 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 -48.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.425 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -35.7 79.76 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.66 -44.7 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.82 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -62.86 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.883 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.98 -55.24 37.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.291 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.573 ' HB3' HD23 ' A' ' 60' ' ' LEU . . . -65.44 -34.83 79.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.161 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.3 mt -65.49 -45.14 84.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.593 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -73.61 -11.56 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.642 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 15.4 tttt -73.69 -27.49 61.25 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.815 170.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 48.0 t -81.05 129.53 66.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.651 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 14.8 Cg_exo -67.81 141.32 53.74 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.609 2.206 . . . . 0.0 112.114 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.68 -26.3 14.79 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' ILE . 94.9 t -86.72 107.47 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.149 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -86.71 -38.49 16.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.4 152.54 30.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -138.56 96.47 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 79.94 9.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.4 0.619 . . . . 0.0 110.129 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -80.57 144.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.562 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.92 108.61 14.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.984 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -59.1 -55.61 44.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.74 43.09 1.03 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.498 2.132 . . . . 0.0 113.261 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -167.95 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.228 0.537 . . . . 0.0 110.087 176.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.31 34.52 10.48 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.502 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.09 145.75 28.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.88 92.23 3.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.286 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.3 81.06 6.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.541 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -88.93 146.83 24.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.452 0.644 . . . . 0.0 111.646 -174.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.52 80.72 1.38 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.74 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD13 ' HB ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -91.33 160.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.944 -178.234 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.752 HG12 ' H ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.21 153.84 86.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 45' ' ' VAL . 19.4 Cg_endo -58.45 -24.13 67.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.837 2.358 . . . . 0.0 113.167 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.752 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -78.31 -11.75 85.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.874 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -85.21 175.31 9.03 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.151 0.5 . . . . 0.0 110.781 178.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.04 141.72 14.81 Favored Pre-proline 0 N--CA 1.442 -0.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.116 -176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.72 -26.52 83.14 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.798 2.332 . . . . 0.0 113.117 -175.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 26.0 t70 -63.53 -27.77 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.775 0.321 . . . . 0.0 110.287 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.47 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.423 0.63 . . . . 0.0 109.915 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.14 -44.58 53.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.222 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.615 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 1.2 m -57.37 -45.02 84.84 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.769 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.65 -36.5 82.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.44 79.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.737 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 35.3 t -70.34 -35.06 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.684 0.278 . . . . 0.0 110.3 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.57 94.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.202 0.525 . . . . 0.0 110.326 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.81 -15.63 80.39 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.067 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -73.66 -10.0 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 111.274 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.11 -4.95 35.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.475 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -115.73 -144.76 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.52 28.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.823 0.344 . . . . 0.0 110.154 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' ' 54' ' ' THR . . . -129.52 129.26 44.29 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -121.23 103.65 9.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.914 0.388 . . . . 0.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.874 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.06 109.14 3.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.686 . . . . 0.0 111.064 -178.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.271 179.246 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 18.4 p-80 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' HB3' HD22 ' A' ' 66' ' ' LEU . 1.1 pp -129.81 163.71 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 126.69 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 10' ' ' THR . 2.3 tt -82.48 141.08 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.17 -40.24 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.81 -23.82 71.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.743 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.51 100.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.768 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -74.74 -25.82 59.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.775 -176.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 158.85 4.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -176.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.76 165.92 11.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.186 -1.37 . . . . 0.0 110.913 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.7 m 80.43 -56.49 0.34 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.988 0.915 . . . . 0.0 109.586 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -47.43 75.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 59.07 1.11 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.09 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.942 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -63.28 -29.49 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.638 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.94 -43.93 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.405 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 4.3 tttm -59.19 -45.7 90.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.869 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.45 -51.3 68.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.644 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.96 79.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.166 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -47.47 75.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.971 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.748 ' HA ' HG12 ' A' ' 28' ' ' VAL . 42.0 mt-10 -66.6 -20.7 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 111.139 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -20.81 60.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.351 174.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -85.1 127.77 62.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.64 143.62 99.61 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.615 2.21 . . . . 0.0 112.206 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.69 -19.8 46.18 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -174.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.766 HG11 HD22 ' A' ' 42' ' ' LEU . 80.3 t -94.62 128.52 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.286 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -51.76 4.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.631 0.253 . . . . 0.0 110.53 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -157.73 158.46 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.787 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -130.56 122.5 27.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.601 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 4.5 tp -100.53 85.31 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.371 0.605 . . . . 0.0 109.808 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.723 HG12 ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -81.14 130.54 35.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.152 -176.642 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.54 115.41 11.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.572 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -65.16 -41.25 51.63 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 94.6 Cg_exo -45.54 -40.81 18.37 Favored 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 122.143 1.895 . . . . 0.0 113.348 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 -22.33 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.992 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.434 ' HA2' HG23 ' A' ' 10' ' ' THR . . . 81.56 19.32 66.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.303 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.76 147.94 43.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.589 . . . . 0.0 111.841 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.723 ' HB2' HG12 ' A' ' 33' ' ' VAL . . . -106.16 100.39 9.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.648 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 6.3 tp60 -73.97 90.86 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 109.807 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.766 HD22 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -94.82 132.95 39.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.469 0.652 . . . . 0.0 112.037 -171.72 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.59 83.66 2.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.783 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.71 HD12 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -97.65 156.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.27 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.21 134.93 93.49 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.906 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -39.72 124.3 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.447 2.765 . . . . 0.0 112.095 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.35 -133.58 11.7 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -168.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 m 54.64 104.2 0.01 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.507 0.67 . . . . 0.0 111.78 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.56 125.63 53.61 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.879 -174.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 29.3 Cg_endo -62.92 -29.99 76.56 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.503 2.136 . . . . 0.0 112.011 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 7.9 t0 -65.81 -22.87 66.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.491 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' SER . . . -75.22 -39.85 59.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.12 0.486 . . . . 0.0 110.328 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.71 HD22 HD12 ' A' ' 44' ' ' ILE . 1.2 mp -69.66 -49.03 57.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -57.53 -41.71 81.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.526 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 51' ' ' ASP . . . -66.71 -35.33 79.88 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.27 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.455 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.39 -44.42 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.19 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.62 89.77 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 -22.97 78.48 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.963 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -73.32 -20.52 60.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.219 175.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.74 -21.44 11.36 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.026 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 60' ' ' LEU . 3.8 m-85 -87.89 130.19 34.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -76.04 131.44 39.51 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 161.95 36.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.26 125.56 24.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.545 ' HG ' ' CB ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -66.66 124.58 23.26 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.085 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 -175.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.623 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 12.7 p80 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.696 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.64 172.5 12.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.305 -179.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.566 ' HG2' HG21 ' A' ' 39' ' ' THR . 0.0 OUTLIER -109.2 146.96 33.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 9' ' ' MET . 1.3 tp -108.74 155.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 120.721 0.296 . . . . 0.0 110.543 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -137.51 106.51 5.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.344 0.592 . . . . 0.0 110.551 -177.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.08 -31.79 2.75 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.658 ' HB3' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -77.74 125.19 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.781 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -7.62 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -167.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p 179.71 -52.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.02 166.56 3.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 m 73.27 -61.17 0.51 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.334 0.654 . . . . 0.0 111.486 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -47.44 85.61 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 9' ' ' MET . . . -77.57 56.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.567 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.92 -44.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.466 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -58.86 -41.55 87.3 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.528 0.68 . . . . 0.0 109.311 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.06 -47.32 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.188 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -64.94 -35.17 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.579 -179.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -52.17 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.074 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.71 92.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.676 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 22' ' ' LEU . 15.7 mt -65.7 -48.43 72.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.489 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -75.45 -11.31 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.752 0.311 . . . . 0.0 111.426 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -73.09 -25.5 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 t -81.34 125.16 79.68 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.15 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 141.18 65.41 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.66 2.24 . . . . 0.0 112.132 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.55 5.51 16.2 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.39 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 29' ' ' GLN . 97.9 t -95.22 148.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.321 . . . . 0.0 110.146 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' N ' HG12 ' A' ' 28' ' ' VAL . 19.0 tt0 -132.04 -37.85 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.81 127.56 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.268 174.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -122.16 83.72 2.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.507 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.4 mt -87.94 77.61 8.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.59 HG23 ' HG3' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -76.82 117.49 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 98.85 11.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.708 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -59.21 -54.17 58.96 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.996 -173.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.6 Cg_exo -69.98 -17.11 36.78 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.145 1.897 . . . . 0.0 112.682 -176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -95.47 -34.83 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.911 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 26.32 33.31 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.758 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.566 HG21 ' HG2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -117.36 141.95 47.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.713 0.292 . . . . 0.0 110.938 -179.081 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.623 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -115.09 96.16 5.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.813 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 10.3 mm100 -78.53 82.02 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.356 0.598 . . . . 0.0 109.496 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 HD23 ' HB3' ' A' ' 31' ' ' ALA . 1.2 mt -95.48 118.07 31.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.149 -175.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.61 2.45 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.686 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.608 HG23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -87.1 145.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.633 179.332 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 ' HD2' ' A' ' 46' ' ' PRO . 14.0 t -74.86 127.91 86.16 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' HG12 ' A' ' 45' ' ' VAL . 87.1 Cg_exo -44.02 115.87 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.264 2.643 . . . . 0.0 112.553 179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.75 -38.2 1.15 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -171.6 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.625 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.26 143.01 15.78 Favored Pre-proline 0 C--N 1.316 -0.867 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.306 -178.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.13 -26.96 83.41 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.502 2.135 . . . . 0.0 112.143 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.81 -33.11 71.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.05 174.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.88 58.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.519 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 44' ' ' ILE . 1.1 mt -72.79 -45.58 57.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.527 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -59.07 -43.15 91.75 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.268 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.77 84.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.985 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.93 96.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.67 -40.86 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.26 96.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.61 -16.15 76.29 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.285 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -75.49 1.98 12.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.35 . . . . 0.0 111.23 176.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 6.28 66.21 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.102 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -109.57 -161.1 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -135.89 139.98 43.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.939 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.94 150.66 35.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.642 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 109.32 6.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.696 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -55.31 128.77 35.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.466 . . . . 0.0 110.342 -172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -107.88 165.44 11.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.12 -177.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE3' HG23 ' A' ' 7' ' ' THR . 11.2 ttpt -102.28 124.85 48.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.463 HG12 ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -98.51 134.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.551 HG23 ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.38 -35.92 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.632 -174.132 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.13 67.24 2.77 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.231 176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 85.35 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.813 0.845 . . . . 0.0 110.778 175.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.508 ' OG1' ' HA2' ' A' ' 38' ' ' GLY . 4.9 t -84.57 -20.6 31.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.67 161.18 2.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.455 -179.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.58 160.38 9.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.975 -176.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m 78.89 -52.67 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.818 0.847 . . . . 0.0 109.908 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' HG21 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -69.03 -43.56 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.77 54.63 0.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.409 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.31 -43.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.109 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -64.24 -45.74 86.84 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.531 0.682 . . . . 0.0 109.379 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 14' ' ' CYS . 15.1 t -64.42 -40.74 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.615 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' HB1' ' A' ' 31' ' ' ALA . 5.0 tttm -62.33 -39.78 94.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.304 177.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -51.34 68.27 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.209 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' CB ' HD23 ' A' ' 60' ' ' LEU . . . -63.04 -38.17 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.03 -44.68 83.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HA ' HG12 ' A' ' 28' ' ' VAL . 11.1 mt-10 -75.11 -16.44 60.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.707 0.289 . . . . 0.0 111.193 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -10.29 59.28 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.946 0.403 . . . . 0.0 110.516 173.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 81.3 t -82.14 126.06 75.54 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.8 Cg_exo -66.84 127.58 17.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.663 2.242 . . . . 0.0 111.724 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.37 27.38 5.85 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.509 HG21 HG21 ' A' ' 44' ' ' ILE . 83.8 t -142.08 120.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -90.0 -46.05 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.785 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 143.96 20.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.901 0.382 . . . . 0.0 111.575 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 19' ' ' LYS . . . -117.62 87.84 2.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.516 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.8 74.24 9.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.156 0.503 . . . . 0.0 110.93 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.678 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.32 120.89 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 110.45 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -63.1 -44.83 85.41 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.632 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.554 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 77.3 Cg_endo -76.76 14.78 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.753 1.635 . . . . 0.0 112.582 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -133.43 -28.66 1.45 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.912 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.508 ' HA2' ' OG1' ' A' ' 10' ' ' THR . . . 82.01 20.55 62.85 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.924 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 146.95 51.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 0.0 111.322 -174.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -107.83 105.51 15.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.346 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -78.99 90.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.801 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HB3' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -100.06 112.57 24.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.615 0.721 . . . . 0.0 111.748 -174.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.97 75.41 10.13 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 53' ' ' LEU . 21.8 pt -93.52 155.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.685 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -72.22 148.83 91.49 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.21 -177.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.462 ' HD2' HG22 ' A' ' 45' ' ' VAL . 55.5 Cg_endo -71.31 52.3 1.51 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.106 2.537 . . . . 0.0 113.1 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.77 -31.21 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 118.29 19.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.06 0.457 . . . . 0.0 110.758 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 127.21 92.44 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HB2' HD13 ' A' ' 66' ' ' LEU . 91.6 Cg_exo -49.41 -37.09 40.61 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.303 2.668 . . . . 0.0 113.275 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -57.3 -25.89 60.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.48 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.97 58.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.371 0.605 . . . . 0.0 109.733 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 44' ' ' ILE . 6.7 mp -77.12 -45.46 26.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.986 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -47.75 76.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.139 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.7 84.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.154 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.78 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.788 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.499 HG12 ' HB1' ' A' ' 64' ' ' ALA . 67.5 t -70.07 -39.09 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.206 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.43 93.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.161 0.505 . . . . 0.0 110.663 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.26 -14.17 80.77 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.31 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.637 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 1.3 tp -74.5 -7.72 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.767 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.7 -7.35 57.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.684 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.637 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 51.5 m-85 -99.4 -161.77 0.9 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 133.27 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB1' HG12 ' A' ' 57' ' ' VAL . . . -145.92 163.75 34.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.17 141.91 32.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.058 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -65.2 114.74 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.606 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.827 -179.483 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 42' ' ' LEU . 4.9 mp -98.23 132.44 43.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' HG21 ' A' ' 39' ' ' THR . 4.0 tttp -94.39 124.09 38.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.565 HG21 ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -100.26 116.77 44.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.862 0.839 . . . . 0.0 110.227 -176.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -20.43 18.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.806 -170.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.96 -5.77 89.91 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.536 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.37 148.44 25.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.912 0.387 . . . . 0.0 110.671 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -22.5 3.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.332 172.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 176.52 155.44 0.23 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.937 -172.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 13' ' ' SER . 17.0 p-10 21.72 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 170.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.533 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.83 -42.22 71.65 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.239 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.5 -50.63 66.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 0.0 109.959 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.86 46.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.1 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.24 -42.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.797 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -66.04 -31.34 72.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.07 -43.72 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.233 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.009 177.098 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.27 -52.77 63.32 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.49 87.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.808 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.617 HD21 HD21 ' A' ' 53' ' ' LEU . 13.1 mt -65.14 -41.92 94.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.922 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -16.55 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.396 . . . . 0.0 111.115 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -19.85 61.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 173.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 23.6 t -84.5 127.91 63.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.1 Cg_exo -66.63 149.59 83.98 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.784 2.323 . . . . 0.0 113.081 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -9.18 41.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.045 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.7 118.63 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.733 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -99.03 -36.39 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.113 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.62 147.29 25.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.942 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . . . -142.32 98.45 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.644 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -99.8 85.22 3.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.2 -178.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG22 ' HD3' ' A' ' 19' ' ' LYS . 2.7 m -83.6 135.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -114.63 104.69 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.034 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -64.8 -50.64 62.57 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.112 -178.258 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 8.6 Cg_exo -73.19 15.16 0.51 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.135 1.89 . . . . 0.0 112.837 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 17.6 mttt -133.98 -24.99 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.27 36.18 59.95 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.062 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -138.84 153.12 48.32 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.744 -0.268 . . . . 0.0 110.89 -178.591 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 42' ' ' LEU . . . -124.8 119.39 28.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.854 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 3.5 mp0 -91.97 91.48 7.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD12 ' HB1' ' A' ' 40' ' ' ALA . 3.4 mt -99.63 132.23 45.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.455 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.65 81.1 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.456 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.95 140.73 15.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.713 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.23 146.51 95.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.232 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.36 72.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.063 2.508 . . . . 0.0 111.877 172.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.54 -33.66 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -163.66 0.89 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.156 171.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.62 144.15 16.66 Favored Pre-proline 0 N--CA 1.442 -0.856 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.2 Cg_endo -58.77 -31.11 94.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.363 2.042 . . . . 0.0 112.639 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -26.44 66.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.999 176.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.97 -34.49 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.254 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD21 HD21 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -48.25 30.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.376 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -55.06 -47.82 74.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.042 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.84 74.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.456 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.85 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.085 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HB2' ' A' ' 62' ' ' TYR . 47.8 t -70.33 -43.32 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.357 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.58 97.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.512 . . . . 0.0 110.4 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.45 -19.4 78.18 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.648 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -12.92 60.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 0.0 111.0 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.88 14.08 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.411 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.586 ' HB2' HG12 ' A' ' 57' ' ' VAL . 20.5 m-85 -88.91 -164.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 146.96 38.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.18 30.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.285 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.48 119.06 13.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.179 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.56 118.37 13.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.191 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.628 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 121.088 0.47 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -97.68 155.34 17.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.71 134.69 33.95 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.401 HG21 HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -100.25 147.02 8.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.289 0.566 . . . . 0.0 110.825 -176.021 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -144.07 148.49 35.23 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.26 -3.31 56.68 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.954 -1.117 . . . . 0.0 111.659 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.19 146.8 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 17.34 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 p -176.74 -176.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.37 -35.81 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.715 -161.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.39 75.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -175.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -31.38 59.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 46.55 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.532 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.8 -43.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.529 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.05 -42.62 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.29 0.567 . . . . 0.0 109.665 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.73 -38.86 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.704 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -38.34 87.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.059 176.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.43 -55.21 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.239 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -41.52 74.36 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.085 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 42' ' ' LEU . 2.7 mt -65.86 -46.26 79.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.697 ' HG3' ' HB1' ' A' ' 31' ' ' ALA . 3.7 mt-10 -76.03 -7.09 53.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.543 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -82.63 -3.98 57.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.385 . . . . 0.0 110.479 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.8 t -85.35 127.51 63.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.254 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.72 135.41 38.44 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.514 2.143 . . . . 0.0 112.077 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.84 -6.19 35.09 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -87.64 162.94 2.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -133.62 -49.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.804 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.85 131.14 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.469 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.697 ' HB1' ' HG3' ' A' ' 23' ' ' GLU . . . -110.5 106.14 15.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.627 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 1.1 mt -101.57 79.08 1.91 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 110.32 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.15 103.71 14.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.971 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.42 -44.62 88.3 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 45.0 Cg_exo -57.83 -42.24 61.14 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.742 1.628 . . . . 0.0 112.403 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HE3' HG21 ' A' ' 39' ' ' THR . 14.8 tttp -82.18 -36.2 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 39.27 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 HG21 ' HE3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -125.54 138.34 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 -177.29 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.16 96.4 6.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.018 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.17 99.49 11.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.016 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -106.57 114.19 28.15 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.342 0.592 . . . . 0.0 111.633 -173.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.96 85.16 7.24 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.669 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.493 ' O ' HG21 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -92.04 -154.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.785 177.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 46' ' ' PRO . 77.7 t -159.24 133.37 5.18 Favored Pre-proline 0 N--CA 1.465 0.291 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 45' ' ' VAL . 51.2 Cg_exo -38.47 104.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.865 3.044 . . . . 0.0 113.299 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.16 -7.78 0.65 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -143.68 101.28 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.738 -0.731 . . . . 0.0 109.03 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 151.71 96.88 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.202 -174.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.782 ' HA ' HD11 ' A' ' 53' ' ' LEU . 31.6 Cg_exo -59.55 -28.19 86.83 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.063 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.38 -28.27 68.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.958 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.27 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.906 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 50' ' ' PRO . 1.6 mt -72.98 -45.29 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.0 m -57.84 -43.24 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.006 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.37 80.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.122 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.6 89.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.591 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' HB1' ' A' ' 64' ' ' ALA . 61.5 t -69.47 -40.77 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.154 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.76 -43.21 99.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.178 0.513 . . . . 0.0 110.015 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.85 -11.92 85.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.481 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -7.59 53.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.01 3.7 51.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.639 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 55.9 m-85 -120.27 -164.42 1.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -133.16 149.51 52.06 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.744 0.306 . . . . 0.0 110.611 -178.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -152.25 166.13 32.73 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.164 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.28 136.94 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.399 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HA ' HD21 ' A' ' 4' ' ' LEU . 13.4 tp -68.15 97.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.104 0.478 . . . . 0.0 111.106 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.61 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -110.65 154.9 23.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 124.97 46.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.418 HG12 ' HG1' ' A' ' 10' ' ' THR . 1.3 tp -81.38 151.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.136 0.493 . . . . 0.0 110.959 -175.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.89 -30.05 0.82 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.573 176.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.23 45.7 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.93 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.8 150.42 0.09 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.102 0.954 . . . . 0.0 113.265 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.449 ' HB ' ' H ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -159.9 -144.64 0.11 Allowed 'General case' 0 N--CA 1.415 -2.197 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 151.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 31.9 p 146.4 -119.68 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 126.321 1.849 . . . . 0.0 107.47 166.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -82.43 143.38 31.21 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.498 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 m 71.39 -54.02 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 18' ' ' VAL . 9.4 m -59.56 -42.48 92.51 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.707 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . . . -77.32 56.38 1.34 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.34 0.59 . . . . 0.0 110.816 174.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.18 -39.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.72 -34.58 78.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 14' ' ' CYS . 40.7 t -64.46 -40.96 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.61 174.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.717 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.57 -47.55 85.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.171 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -58.42 -42.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.744 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.09 -51.65 60.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.409 -179.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.2 -12.08 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.46 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -74.31 -27.26 60.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.003 0.43 . . . . 0.0 109.858 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 28' ' ' VAL . 86.1 t -78.32 127.01 82.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.945 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 148.99 77.64 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.085 1.857 . . . . 0.0 111.287 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 29.57 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.433 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.491 HG13 ' H ' ' A' ' 29' ' ' GLN . 23.4 t -141.75 160.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' H ' HG13 ' A' ' 28' ' ' VAL . 5.6 mm-40 -131.42 -46.11 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.956 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -155.78 134.04 11.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 111.278 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.92 124.01 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 0.0 110.254 173.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.74 88.71 2.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 109.976 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 135.29 25.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.86 -175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.62 91.92 4.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.727 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -57.48 -55.34 45.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.559 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 13.0 Cg_exo -71.15 -15.58 31.94 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.054 1.836 . . . . 0.0 112.806 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -28.88 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.697 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.49 33.11 20.53 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.33 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.24 150.09 45.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.13 93.45 3.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.529 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 130.91 40.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.774 HD12 HD22 ' A' ' 53' ' ' LEU . 3.7 mt -123.73 122.28 37.67 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.888 -173.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.13 75.7 6.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.589 HG22 HD11 ' A' ' 53' ' ' LEU . 2.0 pt -90.36 165.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.534 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.2 t -75.43 139.84 71.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.944 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 37.8 Cg_exo -61.26 97.14 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.763 2.308 . . . . 0.0 111.823 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.13 -38.42 0.9 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.96 126.71 29.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 0.0 110.836 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.76 131.81 81.42 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.37 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HA ' HD13 ' A' ' 53' ' ' LEU . 20.7 Cg_endo -61.72 -27.35 80.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.493 2.128 . . . . 0.0 112.026 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -21.89 66.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.657 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.2 -37.73 61.05 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 109.843 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 42' ' ' LEU . 1.1 mt -73.67 -43.8 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.439 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 m -60.33 -41.16 92.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.455 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.8 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -63.62 -41.31 98.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.446 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.612 HG12 ' HD2' ' A' ' 62' ' ' TYR . 62.3 t -69.26 -45.47 79.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.269 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -60.71 -40.72 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.435 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.57 -17.53 75.45 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.604 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -73.64 -38.41 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.734 0.302 . . . . 0.0 110.785 179.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.32 4.41 0.93 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.612 ' HD2' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -122.22 168.28 12.2 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.401 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.28 126.35 50.36 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.324 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.11 44.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 137.66 54.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.935 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.663 ' H ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.42 144.16 42.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.286 0.565 . . . . 0.0 111.329 -178.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.923 -179.884 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.76 HD11 HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -115.9 160.16 20.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.924 0.392 . . . . 0.0 110.25 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -116.67 124.02 48.7 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.734 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.546 HG12 ' HB3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -89.15 123.97 41.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.368 0.604 . . . . 0.0 109.4 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -28.86 12.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.639 -169.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.5 18.93 46.66 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.658 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.694 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 2.8 ttp -160.94 107.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.73 -12.9 15.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.603 0.716 . . . . 0.0 109.63 170.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -64.74 171.88 3.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 177.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.598 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 10.6 t70 -86.14 -75.2 0.39 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 113.509 -1.678 . . . . 0.0 113.137 -166.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -23.31 63.75 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -168.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.66 -36.0 82.86 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.146 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' A' ' 9' ' ' MET . . . -76.44 52.07 0.76 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.493 0.664 . . . . 0.0 110.786 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.19 -42.19 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.827 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.92 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -39.44 94.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.822 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -46.39 90.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.38 83.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.034 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.17 -48.36 70.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.581 175.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.601 ' HG2' HG11 ' A' ' 28' ' ' VAL . 18.7 mt-10 -72.16 -17.97 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.705 -176.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -16.12 61.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 79.4 t -81.16 124.87 80.61 Favored Pre-proline 0 N--CA 1.451 -0.406 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.2 Cg_exo -73.87 78.81 2.42 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.751 2.3 . . . . 0.0 112.501 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.31 41.5 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.601 HG11 ' HG2' ' A' ' 23' ' ' GLU . 14.0 t -144.96 119.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.573 . . . . 0.0 109.688 -170.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -105.39 -31.38 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.332 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 m -154.03 149.58 27.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.807 0.336 . . . . 0.0 110.883 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.87 3.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 4.6 mp -99.94 84.61 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.414 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 12.7 t -97.32 118.71 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -101.36 115.71 31.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.748 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -64.76 -55.89 25.36 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.394 -177.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.705 ' HD3' ' HD2' ' A' ' 35' ' ' TYR . 70.6 Cg_endo -73.25 9.17 1.52 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 121.893 1.729 . . . . 0.0 113.585 -171.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.78 -8.15 3.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 110.21 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.69 32.69 79.59 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.111 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.05 50.49 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.227 -0.572 . . . . 0.0 111.354 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -115.9 128.26 55.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.819 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -108.42 105.22 14.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.639 176.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.76 HD13 HD11 ' A' ' 4' ' ' LEU . 1.1 mt -103.02 127.45 50.26 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.263 0.554 . . . . 0.0 111.395 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.02 81.46 1.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.512 HG23 HG21 ' A' ' 28' ' ' VAL . 1.1 pp -99.93 163.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.412 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -76.08 138.77 68.72 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 16.6 Cg_exo -69.34 42.64 0.32 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.006 2.471 . . . . 0.0 113.857 -175.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 45' ' ' VAL . . . -120.19 -28.91 1.73 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 172.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 117.82 24.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.386 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.31 140.07 96.6 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.063 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.54 -32.94 94.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.124 1.883 . . . . 0.0 111.769 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -24.34 64.32 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.0 -35.08 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.239 0.542 . . . . 0.0 109.926 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 HG22 ' A' ' 44' ' ' ILE . 1.5 mt -72.95 -41.91 63.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.274 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -42.13 84.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.934 173.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.1 82.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.902 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.56 93.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.31 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' A' ' 64' ' ' ALA . 93.6 t -69.07 -41.08 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.094 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.74 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.271 0.558 . . . . 0.0 110.21 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.06 -18.43 79.16 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.546 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -74.59 -1.85 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 176.251 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 7.37 58.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.934 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 98.0 m-85 -113.45 -175.03 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -131.43 128.08 38.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.496 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB3' HG13 ' A' ' 57' ' ' VAL . . . -143.59 161.97 37.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.968 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.38 146.0 37.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.997 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.524 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.18 103.17 3.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.129 0.49 . . . . 0.0 110.278 178.695 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.05 142.47 49.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 169.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 140.07 45.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.089 0.471 . . . . 0.0 111.661 -173.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.7 119.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -18.47 21.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.059 0.457 . . . . 0.0 110.97 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.34 7.88 47.7 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.957 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.22 160.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.012 0.406 . . . . 0.0 111.769 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.778 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -90.71 -114.81 0.08 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 158.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.778 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 146.23 -165.25 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 146.56 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.55 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 16.5 t70 -135.49 -110.33 0.21 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 112.442 -2.163 . . . . 0.0 105.469 155.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 16.28 -76.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 153.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 18' ' ' VAL . 39.3 t -53.56 -52.58 59.28 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.863 -174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.598 ' HB1' ' HD1' ' A' ' 35' ' ' TYR . . . -76.31 53.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.644 0.735 . . . . 0.0 110.545 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.89 -47.59 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.172 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.1 -38.27 75.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.58 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.488 HG21 ' SG ' ' A' ' 14' ' ' CYS . 52.6 t -68.63 -40.89 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.353 176.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -42.25 92.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.146 176.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.42 -51.89 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.461 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.67 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 111.0 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 HD13 HD22 ' A' ' 42' ' ' LEU . 9.7 mt -65.88 -46.01 79.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HG3' ' HB1' ' A' ' 31' ' ' ALA . 70.0 mt-10 -70.05 -18.03 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.86 -15.15 60.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 173.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -79.38 132.13 63.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.066 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.48 135.35 38.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.636 2.224 . . . . 0.0 111.871 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.9 -5.64 42.97 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.1 t -96.53 156.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.58 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.556 0.217 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.1 125.2 7.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.229 -0.295 . . . . 0.0 110.41 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.493 ' HB1' ' HG3' ' A' ' 23' ' ' GLU . . . -106.28 122.5 46.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.823 0.344 . . . . 0.0 110.752 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.08 88.29 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.353 0.597 . . . . 0.0 109.588 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -84.62 145.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.881 -176.428 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.16 83.02 2.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.733 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -58.02 -43.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.697 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 47.1 Cg_exo -57.14 -33.44 95.86 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.775 1.65 . . . . 0.0 112.549 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -16.57 21.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.999 178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.21 40.7 28.41 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.55 161.5 35.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.711 0.291 . . . . 0.0 110.751 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HB2' HG12 ' A' ' 33' ' ' VAL . . . -134.27 124.16 25.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.474 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -101.64 99.36 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -103.51 119.76 39.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.063 0.458 . . . . 0.0 111.442 -174.391 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.12 81.73 7.32 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.1 152.86 3.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.459 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -75.43 133.94 73.8 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.299 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.38 116.59 2.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.704 2.269 . . . . 0.0 111.37 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.44 -34.54 2.04 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.42 -172.86 4.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 142.15 15.4 Favored Pre-proline 0 C--N 1.315 -0.892 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.429 -174.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.574 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_exo -61.01 -27.23 84.42 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -176.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -26.43 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.259 177.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.13 60.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.592 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.3 mp -80.91 -46.29 15.44 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 109.965 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -52.22 -41.52 62.79 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 57' ' ' VAL . . . -66.03 -51.01 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.586 172.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' HG21 ' A' ' 57' ' ' VAL . . . -71.43 21.39 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 56' ' ' ALA . 92.2 t -143.62 -40.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.069 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.53 -41.02 89.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.547 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.6 -16.07 79.85 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.021 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -13.04 60.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.062 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.68 10.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.732 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.6 m-85 -98.04 166.96 11.18 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -107.77 124.42 50.01 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 142.68 33.52 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.29 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.69 133.4 48.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.008 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.98 107.49 2.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 -174.723 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tmm? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.873 0.368 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.48 56.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.909 0.385 . . . . 0.0 112.015 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.91 114.75 19.58 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -100.15 165.01 11.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.904 -172.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -109.65 131.23 55.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.791 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.7 141.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -39.1 1.49 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.22 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.35 66.09 2.98 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.627 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 4.4 mmt 85.35 111.65 0.05 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.16 0.984 . . . . 0.0 110.712 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.66 -17.19 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.646 -172.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 167.28 0.72 Allowed 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.37 78.35 1.37 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.325 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -169.69 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -67.33 -42.7 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.49 173.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB1' ' HD1' ' A' ' 35' ' ' TYR . . . -75.24 48.56 0.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.449 0.642 . . . . 0.0 110.359 174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.22 -49.99 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.756 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -32.45 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.007 173.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 57' ' ' VAL . 4.3 t -65.1 -40.52 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.202 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.657 ' HB2' HG23 ' A' ' 33' ' ' VAL . 1.6 tttm -62.31 -43.0 99.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.946 176.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -59.43 -53.58 56.52 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.279 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.68 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.016 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -51.82 57.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -16.36 60.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.833 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' A' ' 28' ' ' VAL . 95.7 t -83.69 124.63 74.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.76 133.98 38.71 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.25 1.967 . . . . 0.0 111.821 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.88 -11.37 38.01 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 25' ' ' VAL . 98.8 t -95.29 127.54 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.241 -0.479 . . . . 0.0 109.907 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -45.93 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -154.88 134.35 12.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.47 90.03 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 0.0 109.919 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -80.9 78.7 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.279 0.562 . . . . 0.0 110.886 -176.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 19' ' ' LYS . 1.3 m -84.4 139.42 17.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.768 177.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.07 109.16 13.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.245 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.596 ' HD1' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -67.92 -44.15 39.64 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -176.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 56.8 Cg_endo -71.13 10.79 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.942 1.761 . . . . 0.0 112.961 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 2.1 mptt -134.45 -32.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.396 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.53 26.56 38.65 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.18 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -116.61 140.13 49.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.101 0.477 . . . . 0.0 111.768 -175.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.53 102.07 9.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.577 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 12.6 mt-30 -90.17 99.92 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD22 HD21 ' A' ' 53' ' ' LEU . 1.8 mt -92.4 119.15 31.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.068 0.461 . . . . 0.0 111.56 -174.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.36 79.62 3.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.163 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.736 HG21 HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -101.3 164.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.968 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -75.31 129.51 82.22 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.4 131.34 22.91 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.654 2.236 . . . . 0.0 111.452 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.34 -36.71 3.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.78 115.41 13.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 110.042 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.32 129.25 94.01 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.529 -175.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 32.2 Cg_exo -59.14 -37.93 89.41 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.579 2.186 . . . . 0.0 112.161 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 31.9 t70 -66.33 -21.34 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.413 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.15 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.207 0.527 . . . . 0.0 110.105 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD13 HG21 ' A' ' 44' ' ' ILE . 1.7 mt -72.17 -41.81 66.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.495 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 m -59.11 -41.04 87.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.972 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.91 -36.63 83.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.711 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.34 94.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 18' ' ' VAL . 98.3 t -69.64 -39.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.931 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.11 -42.51 96.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.82 -17.13 76.59 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.222 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -6.01 46.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.09 -6.02 53.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.038 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 56.0 m-85 -103.82 -178.92 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 128.42 41.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.0 0.428 . . . . 0.0 110.636 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.88 27.66 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.357 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.61 133.74 31.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.562 0.22 . . . . 0.0 110.701 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 HD23 HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -70.85 98.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.53 101.33 3.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.272 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.92 4.92 4.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.428 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.196 -0.907 . . . . 0.0 109.619 176.458 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 42' ' ' LEU . 2.0 m -144.23 60.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 110.035 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -105.56 120.21 41.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.543 0.687 . . . . 0.0 110.779 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 50' ' ' PRO . 4.6 mt -105.92 155.38 19.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.835 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.73 129.47 44.76 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.17 148.27 5.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.353 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -147.11 159.99 42.95 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.71 -49.08 1.45 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.526 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.556 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtm -153.65 97.22 2.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.506 . . . . 0.0 109.824 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.48 -24.03 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.581 -172.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 161.04 3.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -44.12 -51.12 8.26 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -172.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -27.6 56.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.791 0.329 . . . . 0.0 111.737 -169.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -83.38 -41.81 17.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.991 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' HB2' ' HD1' ' A' ' 35' ' ' TYR . . . -75.94 49.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.576 0.703 . . . . 0.0 110.283 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.98 -38.54 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.501 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -65.06 -40.01 94.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.302 170.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.25 -40.54 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.711 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HZ1' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -61.91 -38.57 88.86 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -49.28 72.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.47 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 60' ' ' LEU . . . -60.08 -40.92 91.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.064 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.87 -45.31 82.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 10.6 mt-10 -70.29 -17.89 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.455 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -14.95 61.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.99 0.424 . . . . 0.0 109.974 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 90.6 t -83.53 123.28 76.75 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.1 Cg_exo -79.23 44.71 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.007 2.472 . . . . 0.0 113.232 -174.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.85 -4.33 5.2 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 169.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 HG21 ' A' ' 44' ' ' ILE . 75.0 t -96.11 126.21 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.409 -0.896 . . . . 0.0 110.993 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -87.81 -43.76 11.61 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 m -160.81 163.48 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.007 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.58 121.68 13.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.913 0.387 . . . . 0.0 111.01 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.53 89.14 3.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.23 0.538 . . . . 0.0 109.901 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG13 ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -90.85 119.09 37.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.885 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.02 102.52 13.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.146 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.54 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.53 -49.88 85.1 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 12.3 Cg_exo -71.14 10.63 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.284 1.989 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -8.81 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.949 0.404 . . . . 0.0 110.441 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.83 33.09 81.77 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.957 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 142.15 51.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.961 0.41 . . . . 0.0 111.6 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' HG13 ' A' ' 33' ' ' VAL . . . -115.58 100.36 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.228 177.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -85.11 93.73 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD22 HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.81 134.86 36.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.214 0.53 . . . . 0.0 111.654 -174.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.92 1.74 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.972 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.626 HG23 HD12 ' A' ' 53' ' ' LEU . 1.6 pt -96.91 160.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.175 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 47' ' ' GLY . 61.7 t -72.11 134.59 82.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.477 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.02 -17.42 19.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.146 2.564 . . . . 0.0 113.588 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.503 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -64.63 -30.6 78.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.677 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.82 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 175.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.14 141.61 14.98 Favored Pre-proline 0 N--CA 1.442 -0.867 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.144 -178.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 4' ' ' LEU . 37.6 Cg_exo -60.01 -27.57 85.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.9 2.4 . . . . 0.0 112.972 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 1.5 p30 -66.96 -21.84 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.805 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.75 -40.08 49.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.626 HD12 HG23 ' A' ' 44' ' ' ILE . 1.1 mt -71.27 -44.0 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.658 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.622 HG23 ' HB2' ' A' ' 64' ' ' ALA . 10.1 m -59.96 -41.1 91.21 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.123 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 51' ' ' ASP . . . -66.26 -37.03 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.868 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.12 90.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.478 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG12 ' HB2' ' A' ' 62' ' ' TYR . 63.4 t -67.85 -41.95 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.86 82.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.595 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.41 -17.14 67.17 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.367 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 178.428 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.69 -6.67 27.88 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.067 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.63 ' HB2' HG12 ' A' ' 57' ' ' VAL . 66.1 m-85 -98.12 -170.04 1.91 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 5.2 tptt -131.07 133.12 45.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.75 0.31 . . . . 0.0 110.182 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.622 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -141.69 155.31 45.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.074 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 116.89 18.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.569 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 98.99 3.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.374 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.06 86.59 1.86 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -80.69 52.64 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.454 0.645 . . . . 0.0 110.811 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.463 177.314 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 -124.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.944 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.893 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -86.58 156.44 20.05 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.126 -169.304 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -118.45 -170.83 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.649 176.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -130.23 140.37 50.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' A' ' 9' ' ' MET . 2.9 tt -111.52 137.95 42.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.54 -178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.12 -32.59 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.523 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.16 13.21 58.09 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.72 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.652 ' SD ' ' HA ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -86.63 124.5 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.741 -0.27 . . . . 0.0 110.525 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -13.76 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 0.0 109.745 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 p 177.63 -121.07 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.889 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -113.64 -26.18 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.606 -0.437 . . . . 0.0 112.151 -167.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -51.68 68.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.349 0.595 . . . . 0.0 110.516 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -40.89 96.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.158 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.45 46.89 0.45 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.36 -41.62 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.208 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HB3' ' HH ' ' A' ' 62' ' ' TYR . 2.0 t60 -70.04 -41.01 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG13 HD22 ' A' ' 22' ' ' LEU . 6.0 t -63.86 -42.84 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.328 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -60.38 -44.87 95.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.319 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.1 -50.41 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.25 96.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.17 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD22 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -65.96 -49.43 67.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.12 -11.79 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 111.181 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.97 -16.88 60.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.184 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.06 124.31 72.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.38 58.11 5.02 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.995 2.463 . . . . 0.0 112.511 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.97 35.39 0.62 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 44' ' ' ILE . 55.3 t -142.57 125.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.746 -0.727 . . . . 0.0 109.716 -170.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -94.49 -42.36 8.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -154.81 119.54 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.11 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -101.84 120.98 41.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.39 71.33 1.33 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.244 0.545 . . . . 0.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 t -71.56 114.98 10.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.794 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.11 112.24 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.986 0.422 . . . . 0.0 111.632 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.652 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -60.52 -43.3 92.29 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.677 177.288 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 25.9 Cg_endo -61.91 0.83 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 121.974 1.782 . . . . 0.0 113.554 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -24.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.727 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' HA2' ' SD ' ' A' ' 9' ' ' MET . . . 78.82 19.82 72.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.786 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.77 140.99 48.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 -175.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.42 85.36 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.325 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.893 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 26.0 mt-30 -75.38 87.39 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.99 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -108.45 125.17 51.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.432 -175.731 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.45 78.59 7.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.82 153.95 3.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.147 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.01 137.55 69.18 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.233 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.09 123.12 12.72 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.874 2.382 . . . . 0.0 111.82 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.3 -36.85 2.39 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.92 110.44 17.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.96 0.41 . . . . 0.0 110.193 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -74.47 140.79 75.89 Favored Pre-proline 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.603 -176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.02 -26.9 83.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 112.328 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.66 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.49 59.56 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.499 0.666 . . . . 0.0 109.856 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' A' ' 4' ' ' LEU . 3.4 mp -72.22 -45.03 61.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.121 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -57.54 -42.86 83.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.897 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.74 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.008 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.68 88.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.97 -37.71 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.052 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.49 -40.04 95.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.396 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.05 -9.63 80.05 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.607 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -13.61 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.94 0.4 . . . . 0.0 111.33 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.86 -4.25 19.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HH ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -118.93 -163.3 0.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 152.6 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 -177.86 6.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.343 0.592 . . . . 0.0 111.642 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.23 -159.1 0.99 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.23 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.04 147.84 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.29 68.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.738 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.81 87.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.916 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.351 176.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.897 ' HA ' HD11 ' A' ' 44' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 52.94 -124.87 2.35 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 124.233 0.958 . . . . 0.0 112.129 176.101 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' H ' ' HB ' ' A' ' 2' ' ' THR . 18.9 m80 -94.44 135.77 35.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.096 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -138.42 138.65 38.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -80.21 126.6 31.31 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.503 HG21 HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -93.56 143.73 10.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.59 152.82 45.77 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 -46.75 1.12 Allowed Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.492 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -169.67 141.02 2.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.785 HG21 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.89 -53.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -33.55 -52.25 0.39 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -164.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -172.88 153.13 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.993 0.361 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m 74.12 -52.39 0.69 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.701 . . . . 0.0 112.537 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HB3' ' HH ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.83 -52.97 62.01 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.118 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.1 51.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.397 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.238 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.01 -33.86 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 167.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.9 -39.22 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.29 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HZ1' ' CD ' ' A' ' 23' ' ' GLU . 6.7 tttm -63.83 -38.32 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -50.01 74.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.075 0.464 . . . . 0.0 110.383 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -63.94 -35.73 81.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD12 HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 175.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.493 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 10.2 mt-10 -68.74 -13.98 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.926 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 24' ' ' LYS . 1.1 ttmm -73.56 -13.57 61.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.287 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.71 122.98 78.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -79.81 48.81 2.98 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.635 2.223 . . . . 0.0 113.449 -173.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.59 10.12 1.45 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' LEU . 42.6 t -96.69 122.51 48.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.245 -174.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -44.35 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.012 0.434 . . . . 0.0 109.872 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -154.73 122.2 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.531 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.38 78.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.241 0.544 . . . . 0.0 110.004 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.4 84.09 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.29 131.5 34.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -97.78 91.76 5.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.299 0.571 . . . . 0.0 110.167 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.656 ' HD1' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -57.86 -51.38 82.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.442 -178.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 7.2 Cg_exo -74.4 16.62 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.734 2.289 . . . . 0.0 112.919 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.65 -32.08 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.41 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.785 ' HA2' HG21 ' A' ' 10' ' ' THR . . . 92.29 15.89 51.97 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.234 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 165.62 20.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -125.78 131.67 52.43 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.569 0.224 . . . . 0.0 110.631 177.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.6 91.1 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 ' HB1' ' A' ' 40' ' ' ALA . 1.2 mp -101.88 101.71 12.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.34 0.591 . . . . 0.0 110.801 -174.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.12 83.19 4.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.778 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.897 HD11 ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -91.79 167.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.649 177.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -75.24 146.94 82.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.189 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.89 95.84 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.806 2.338 . . . . 0.0 111.928 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.07 -35.85 0.45 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.08 125.58 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.842 0.353 . . . . 0.0 110.552 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 139.22 82.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.618 ' HD3' ' HE2' ' A' ' 1' ' ' MET . 33.2 Cg_endo -65.04 -31.98 54.31 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.19 1.927 . . . . 0.0 111.995 -178.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -67.04 -18.3 65.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.852 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 -37.34 57.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.311 0.577 . . . . 0.0 110.188 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.63 HD21 HD12 ' A' ' 22' ' ' LEU . 1.1 mp -75.19 -51.87 12.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.921 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -55.35 -45.2 76.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.353 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.19 78.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.07 99.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.744 0.306 . . . . 0.0 110.276 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.548 HG13 ' HB1' ' A' ' 64' ' ' ALA . 40.4 t -73.84 -40.81 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.442 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.1 78.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.341 0.591 . . . . 0.0 110.343 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.18 75.97 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.494 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -74.29 4.48 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.403 . . . . 0.0 111.22 176.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.42 24.09 44.79 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.492 ' HE1' ' HB2' ' A' ' 9' ' ' MET . 69.3 m-85 -132.35 -160.16 1.02 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -140.96 152.99 45.41 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -152.04 154.71 36.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.554 176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.12 126.13 19.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.967 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 99.1 2.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.332 0.587 . . . . 0.0 111.435 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -95.75 71.09 3.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.612 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -58.34 96.15 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.147 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.72 -176.726 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.744 -0.095 . . . . 0.0 110.744 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.465 ' H ' ' HB3' ' A' ' 1' ' ' MET . 4.4 t -159.53 32.76 0.19 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.463 0.649 . . . . 0.0 111.859 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.412 ' CB ' ' HA ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -124.54 127.14 46.96 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.936 -0.477 . . . . 0.0 110.439 -177.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 66' ' ' LEU . 59.8 mt -120.51 151.38 39.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 8.1 ttpt -111.48 124.18 51.75 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.708 HG12 ' HB3' ' A' ' 9' ' ' MET . 1.3 tt -89.71 114.43 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.422 0.63 . . . . 0.0 110.349 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -18.96 19.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.505 -174.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.58 -10.14 73.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.649 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.708 ' HB3' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.68 142.78 27.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.74 9.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.693 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 3.1 p 176.98 -169.94 0.07 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.797 -175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 4.2 p-10 -60.77 -29.04 69.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -170.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -55.68 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 111.96 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.54 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.43 45.78 0.4 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 0.0 111.517 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.4 -42.06 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.837 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 12.6 t-160 -63.92 -33.67 76.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 170.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 5.4 t -68.59 -39.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.705 176.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -61.39 -44.77 96.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.62 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.79 -53.28 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.92 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.067 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -65.16 -54.53 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.578 ' HG3' HG12 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -66.77 -15.04 63.29 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.725 0.298 . . . . 0.0 111.407 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -24.97 59.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.174 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 42.6 t -81.68 124.88 79.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.6 Cg_exo -77.06 43.58 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.759 2.306 . . . . 0.0 113.12 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 -4.55 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG12 ' HG3' ' A' ' 23' ' ' GLU . 42.0 t -97.06 151.43 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.384 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.531 ' N ' HG13 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -132.34 -30.71 1.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.98 0.419 . . . . 0.0 109.988 175.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' HB2' ' HB1' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -155.14 101.31 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.965 171.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.12 104.52 15.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.855 0.359 . . . . 0.0 110.559 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -108.83 93.34 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.245 0.545 . . . . 0.0 110.657 -176.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.63 114.27 30.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.129 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -93.5 117.77 30.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -69.59 -49.83 20.57 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -175.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.589 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.9 Cg_exo -70.18 9.9 0.61 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.143 1.896 . . . . 0.0 112.744 -176.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -134.37 -26.76 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.93 25.48 71.47 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.818 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.17 140.46 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.092 0.472 . . . . 0.0 111.315 -175.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.15 112.76 25.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.332 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -99.08 111.04 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD21 HD22 ' A' ' 22' ' ' LEU . 1.7 mp -114.63 126.96 55.49 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.638 -170.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 30' ' ' SER . . . -101.3 77.82 1.83 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 168.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG23 HD12 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -93.44 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.332 -175.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG12 ' HD2' ' A' ' 46' ' ' PRO . 92.6 t -73.5 141.07 79.46 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.619 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.729 ' HD2' HG12 ' A' ' 45' ' ' VAL . 9.2 Cg_endo -52.89 -18.97 10.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.157 2.571 . . . . 0.0 113.683 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.17 37.17 3.44 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.41 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.51 125.18 14.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.959 0.409 . . . . 0.0 110.851 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.84 139.99 35.24 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.35 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' CB ' HD12 ' A' ' 66' ' ' LEU . 75.0 Cg_exo -56.13 -35.53 95.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 112.671 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.14 67.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.273 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.02 -38.57 52.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.304 0.573 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.571 HD12 HG23 ' A' ' 44' ' ' ILE . 1.1 mt -71.7 -43.13 66.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.24 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.9 m -57.73 -42.83 84.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.916 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.15 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.019 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.9 97.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 62' ' ' TYR . 80.3 t -70.98 -42.53 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.268 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HB2' ' HE2' ' A' ' 63' ' ' LYS . . . -63.82 -42.79 97.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.158 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.74 -22.26 79.15 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.588 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -3.63 31.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 111.059 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.4 -6.68 39.22 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.901 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.837 ' HH ' ' HD1' ' A' ' 17' ' ' HIS . 48.8 m-85 -101.38 -161.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.54 147.08 30.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.97 38.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.667 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.18 139.92 33.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.0 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.557 ' HA ' HD22 ' A' ' 4' ' ' LEU . 10.1 tp -75.29 83.94 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.695 0.76 . . . . 0.0 110.603 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 5' ' ' LYS . . . -96.44 66.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.43 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' HB3' HD13 ' A' ' 66' ' ' LEU . 5.5 p-10 -81.65 -169.5 2.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.852 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.985 -176.41 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.456 0.17 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.54 60.2 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.745 0.307 . . . . 0.0 111.283 -174.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -147.71 103.51 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.814 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.719 ' HG ' ' HB3' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -112.5 135.74 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 167.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 6.8 ttpt -96.96 127.74 43.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.708 0.29 . . . . 0.0 110.39 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 tp -84.37 123.93 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.55 -17.45 6.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.02 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.79 -28.58 68.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.165 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.495 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -177.06 122.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -33.59 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -172.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.84 157.87 4.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -172.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.633 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -43.34 -57.34 3.07 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 113.502 -1.681 . . . . 0.0 114.436 -172.066 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 -33.2 67.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.403 . . . . 0.0 111.769 -172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -69.4 -49.01 59.27 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.639 ' HB3' ' HD1' ' A' ' 35' ' ' TYR . . . -76.56 50.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.41 0.624 . . . . 0.0 110.441 174.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 12' ' ' ASP . . . -160.92 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.025 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.879 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 18.8 t-160 -60.79 -36.31 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 166.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.03 -45.76 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.17 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.22 88.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.414 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.91 -50.7 65.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . . . -57.34 -42.39 81.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.78 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -39.78 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.38 -15.38 61.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 21' ' ' ALA . 5.5 mtpt -73.32 -18.44 61.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 109.854 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 12.5 t -85.64 123.03 73.11 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.49 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.0 Cg_exo -78.98 59.81 7.53 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.065 2.51 . . . . 0.0 112.289 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.61 48.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 17.5 t -142.65 123.68 11.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.832 0.349 . . . . 0.0 110.278 -171.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.93 -33.38 11.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.119 0.485 . . . . 0.0 110.181 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -153.81 144.01 22.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.865 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -136.42 75.56 1.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.065 0.46 . . . . 0.0 110.024 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.19 82.21 7.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 110.674 -175.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -76.73 131.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.358 177.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.645 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -118.39 90.36 3.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.69 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' HD1' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -55.22 -55.36 40.32 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.609 -174.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 32.9 Cg_endo -63.91 -20.64 68.45 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.899 1.733 . . . . 0.0 112.598 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.645 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 4.9 mtpt -95.76 -9.16 32.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.405 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.87 25.93 73.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.129 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.84 149.55 38.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.469 0.652 . . . . 0.0 112.151 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -130.1 98.7 4.82 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.703 170.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.13 88.94 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.719 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -105.73 114.88 29.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -175.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.28 86.74 5.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.805 HG23 HD13 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -82.65 155.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.701 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -76.71 132.28 72.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.433 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -52.26 132.03 42.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.645 2.23 . . . . 0.0 111.684 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.23 -37.42 2.77 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -170.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 178.23 8.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.873 -0.664 . . . . 0.0 109.669 170.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -151.7 143.34 15.92 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HB3' HD12 ' A' ' 66' ' ' LEU . 36.8 Cg_exo -56.9 -31.8 90.38 Favored 'Trans proline' 0 CA--C 1.518 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 112.731 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 13.9 t70 -57.99 -31.78 67.26 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.529 0.518 . . . . 0.0 110.235 177.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 56' ' ' ALA . . . -76.58 -30.86 57.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD13 HG23 ' A' ' 44' ' ' ILE . 1.4 mt -80.48 -48.45 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.081 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 m -54.86 -46.78 74.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.936 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.31 -37.21 84.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.033 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -60.99 -40.06 92.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.564 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG12 ' HB2' ' A' ' 62' ' ' TYR . 43.9 t -74.23 -40.87 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.21 92.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.392 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.99 -12.53 84.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.607 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -78.36 -0.6 29.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.6 -8.06 59.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.7 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.879 ' HH ' ' HD1' ' A' ' 17' ' ' HIS . 53.0 m-85 -101.85 -152.85 0.44 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -155.66 141.39 17.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.88 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.08 154.73 45.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.69 114.13 7.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.256 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -62.77 145.49 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.21 23.16 2.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.772 0.32 . . . . 0.0 110.282 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 31.42 87.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 125.172 1.545 . . . . 0.0 114.09 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.832 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG2' ' HG3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.78 26.78 2.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.748 0.309 . . . . 0.0 111.545 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.71 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . 5.2 t60 -152.52 100.69 2.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 0.0 111.835 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt -117.65 152.77 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -112.76 136.71 52.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 tt -89.82 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.73 -26.36 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 0.0 111.447 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.28 74.76 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.208 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.85 -172.65 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 11' ' ' CYS . 1.2 t -155.72 -41.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.845 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.21 -124.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -109.4 -82.27 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 120.821 -1.174 . . . . 0.0 113.179 -162.018 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.79 63.17 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.681 0.393 . . . . 0.0 111.955 -172.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -54.85 29.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.206 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.54 49.65 0.62 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.38 0.609 . . . . 0.0 110.729 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.87 -41.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -70.54 -35.8 73.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.19 -37.52 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.831 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tttm -64.25 -39.52 94.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.995 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.78 -53.71 54.73 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.08 0.467 . . . . 0.0 110.107 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -60.6 -37.08 80.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.251 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -47.67 75.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.758 ' HA ' HG11 ' A' ' 28' ' ' VAL . 52.1 mt-10 -71.87 -15.71 62.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.33 -25.82 59.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.114 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 55.1 t -71.37 123.79 89.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.928 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 24.1 Cg_exo -64.27 132.62 34.51 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.38 2.053 . . . . 0.0 111.65 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.09 -18.72 23.52 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.758 HG11 ' HA ' ' A' ' 23' ' ' GLU . 69.1 t -95.31 121.79 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.069 -0.565 . . . . 0.0 110.167 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -96.54 -44.6 7.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 0.0 110.732 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.42 136.5 15.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.169 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.646 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -114.58 109.29 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.155 0.502 . . . . 0.0 110.516 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.98 73.97 2.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.625 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' H ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -70.43 116.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.08 -177.36 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.51 83.03 4.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.477 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.845 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -54.77 -50.19 87.28 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.068 -174.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 41.9 Cg_endo -68.15 9.97 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.007 1.804 . . . . 0.0 113.617 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -133.35 -5.86 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.714 0.293 . . . . 0.0 110.36 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.88 23.09 70.79 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.689 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 144.78 40.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.537 . . . . 0.0 111.612 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.47 101.61 9.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.186 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.19 129.79 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.21 128.79 38.69 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.972 -174.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.94 82.29 2.97 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.572 HG21 ' HA ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -100.29 170.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.201 -176.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 74.8 t -74.56 122.25 87.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.027 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 45' ' ' VAL . 9.8 Cg_endo -53.51 103.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.104 2.536 . . . . 0.0 111.915 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.26 -31.94 1.4 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.311 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -71.61 118.77 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.75 138.98 88.28 Favored Pre-proline 0 N--CA 1.442 -0.826 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.475 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.514 ' HA ' HD11 ' A' ' 53' ' ' LEU . 26.8 Cg_endo -62.04 -19.15 65.21 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.528 2.152 . . . . 0.0 112.191 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.541 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -62.88 -32.74 74.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.083 174.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.5 60.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 50' ' ' PRO . 1.2 mp -72.71 -45.16 60.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.493 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.6 m -57.55 -42.88 83.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.924 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 51' ' ' ASP . . . -66.29 -34.92 79.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.324 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.95 94.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 64' ' ' ALA . 48.9 t -68.67 -34.89 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.872 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -48.14 74.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.251 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.21 -13.03 73.01 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.331 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.27 -10.76 59.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.006 0.432 . . . . 0.0 110.618 174.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.01 10.64 45.33 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.37 -150.78 0.46 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -155.28 135.84 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.437 ' HB2' ' HB ' ' A' ' 57' ' ' VAL . . . -119.72 166.73 12.84 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.71 122.55 21.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.96 122.74 24.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.0 110.288 178.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.86 64.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.943 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.71 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 29.7 t70 -54.87 146.64 16.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.866 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.005 -178.544 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.819 0.342 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 HG21 ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER 59.02 65.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 175.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.845 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 1.2 m-70 -123.86 96.2 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 167.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 4' ' ' LEU . 1.8 mm? -82.37 122.35 27.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.442 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 138.05 32.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.459 ' O ' HG22 ' A' ' 6' ' ' ILE . 2.0 tp -98.41 140.36 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.183 0.516 . . . . 0.0 110.541 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.01 -9.44 2.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.659 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.688 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -82.48 55.7 4.98 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtm 78.18 124.3 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 124.777 0.928 . . . . 0.0 109.954 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 HG23 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -88.45 -21.64 24.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.292 -171.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 159.38 4.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 1.5 p-10 -52.69 -58.28 7.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.649 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -45.81 64.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.77 -49.81 42.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.79 49.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 111.124 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.59 -41.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -68.56 -36.48 78.85 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 109.387 171.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG13 HD13 ' A' ' 22' ' ' LEU . 71.4 t -62.19 -39.81 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.066 172.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HZ3' ' CD ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -61.63 -38.11 86.45 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.992 176.166 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 35.8 mt-10 -60.66 -52.24 65.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.7 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 110.943 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD21 HD21 ' A' ' 53' ' ' LEU . 33.8 mt -66.51 -52.57 44.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.475 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 4.6 mt-10 -72.91 -11.53 60.62 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.407 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -23.89 59.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' A' ' 26' ' ' PRO . 57.2 t -73.07 123.05 89.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' A' ' 25' ' ' VAL . 92.9 Cg_endo -80.15 44.14 1.66 Allowed 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.574 2.182 . . . . 0.0 113.486 -172.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.02 1.8 5.07 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.5 t -96.44 134.2 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.686 -0.757 . . . . 0.0 110.666 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -44.63 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 m -156.14 126.96 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.461 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.2 100.25 9.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.924 0.392 . . . . 0.0 109.956 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mt -100.08 84.31 2.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.084 0.469 . . . . 0.0 110.646 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' H ' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -79.46 136.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.16 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.56 96.55 5.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.533 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -56.98 -51.96 77.71 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 35.2 Cg_endo -66.09 -20.86 56.64 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.799 1.666 . . . . 0.0 112.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.38 -19.59 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.642 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA2' HG23 ' A' ' 10' ' ' THR . . . 70.12 27.75 72.53 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.407 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.23 146.78 51.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 111.565 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.775 ' HB3' HD11 ' A' ' 42' ' ' LEU . . . -115.69 108.77 16.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.539 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -79.34 80.37 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 40' ' ' ALA . 1.5 mp -86.93 103.28 15.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.868 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.11 79.4 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.483 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.573 HG22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -89.87 157.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.44 133.57 91.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.202 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.25 111.94 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.211 2.607 . . . . 0.0 112.394 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.02 -36.97 1.91 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.54 ' HB ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -77.18 109.81 11.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 175.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.52 130.55 90.54 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.33 -176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.638 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.1 Cg_exo -56.08 -30.08 77.29 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.744 2.296 . . . . 0.0 112.572 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.15 -27.3 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 110.446 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.98 -33.11 59.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.452 0.644 . . . . 0.0 110.016 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.755 HD21 HD21 ' A' ' 22' ' ' LEU . 1.2 mt -75.1 -41.72 58.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.12 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -58.28 -44.39 88.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.114 173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.652 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.31 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.757 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.4 -38.65 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.386 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.89 87.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 110.25 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.2 -13.51 82.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.495 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.72 -7.88 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.061 0.458 . . . . 0.0 110.612 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.62 10.25 50.76 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.557 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.688 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 57.0 m-85 -119.89 -154.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.41 135.61 21.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.828 0.347 . . . . 0.0 111.185 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.12 163.19 37.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.543 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.37 141.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.793 0.33 . . . . 0.0 111.164 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.77 104.28 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.305 177.306 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.54 80.19 1.39 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.416 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.845 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -76.87 144.74 38.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.493 175.378 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HB3' ' H ' ' A' ' 2' ' ' THR . 1.7 mpp? . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.507 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -96.1 6.33 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.123 0.487 . . . . 0.0 111.543 -177.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.838 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m170 -124.08 135.88 53.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.533 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -135.98 174.04 11.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -119.16 135.78 54.5 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.935 0.398 . . . . 0.0 110.83 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.94 134.8 34.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -14.71 3.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -72.58 -27.42 69.43 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.461 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.454 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -178.25 128.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.67 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -115.46 -59.25 2.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -34.12 -55.11 0.5 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 -164.287 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.26 172.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.594 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m 70.44 -67.01 0.26 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.641 0.588 . . . . 0.0 111.398 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.23 -49.39 77.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.636 ' HB2' ' HD1' ' A' ' 35' ' ' TYR . . . -76.04 50.79 0.62 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.324 0.583 . . . . 0.0 110.806 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.09 -43.92 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.07 -34.41 76.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 169.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.33 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.244 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -39.42 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.907 175.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.83 -52.05 67.09 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 24' ' ' LYS . . . -59.66 -37.99 80.22 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.116 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.606 HD21 HD23 ' A' ' 53' ' ' LEU . 29.9 mt -64.56 -47.79 77.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.21 -6.64 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 3.4 tttt -73.78 -28.28 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.89 131.41 79.19 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.12 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.71 146.2 78.01 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.333 2.022 . . . . 0.0 112.408 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.47 -13.74 63.99 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.552 ' HA ' HG22 ' A' ' 44' ' ' ILE . 51.2 t -95.04 112.55 27.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 1.6 tt0 -87.06 -54.32 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.819 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m -154.15 116.36 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -96.55 111.98 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -104.09 93.33 4.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.431 ' H ' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -93.74 127.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 -179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 m -94.81 101.6 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.67 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.91 -55.77 40.21 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 14.49 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.839 1.693 . . . . 0.0 113.005 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -133.25 -10.34 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.06 16.84 64.88 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.421 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.61 135.76 45.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.938 0.399 . . . . 0.0 111.441 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' HG11 ' A' ' 33' ' ' VAL . . . -112.02 104.04 12.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.5 80.02 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.653 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.31 127.09 39.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -176.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 29' ' ' GLN . . . -84.33 81.55 8.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -92.52 149.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.38 177.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 46' ' ' PRO . 1.5 t -74.97 136.47 73.28 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 45' ' ' VAL . 9.3 Cg_endo -52.67 -11.78 1.48 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.869 3.046 . . . . 0.0 114.856 -174.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.23 -23.1 78.17 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.46 177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.5 -172.59 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.753 0.311 . . . . 0.0 110.682 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.25 136.24 10.28 Favored Pre-proline 0 N--CA 1.439 -1.021 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.584 -175.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HB2' HD11 ' A' ' 66' ' ' LEU . 75.9 Cg_exo -54.25 -30.08 60.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.476 2.784 . . . . 0.0 113.501 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 8.5 t70 -58.01 -32.37 67.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.541 176.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.4 60.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.203 0.525 . . . . 0.0 110.308 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.606 HD23 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.17 -46.35 42.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.784 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -57.88 -43.86 86.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.301 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.11 -35.08 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.967 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.15 92.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.682 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.8 -39.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.394 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.53 -44.35 91.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 -13.61 79.57 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.494 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -3.48 31.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.647 174.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.54 3.0 59.89 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.858 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 61.1 m-85 -116.93 -175.64 2.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' H ' ' HA3' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -116.4 142.08 47.32 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.734 0.302 . . . . 0.0 110.97 -178.139 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.61 153.12 39.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.88 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.75 138.93 43.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.457 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -70.23 108.07 4.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.533 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -153.16 107.83 3.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.838 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 6.4 m-20 -67.48 -42.58 82.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.339 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.721 178.28 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 4.48 5.03 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.744 ' HB2' ' HA ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -133.48 151.52 51.78 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.021 174.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 66' ' ' LEU . 2.8 mm? -104.5 154.9 19.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.411 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -112.16 123.44 50.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -86.64 140.29 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.478 -176.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.86 -39.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.68 73.05 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.083 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.478 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -173.04 125.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.95 -50.26 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -165.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -59.15 -120.65 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -169.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 41.0 t0 -104.22 169.75 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.777 -0.577 . . . . 0.0 109.93 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 71.23 -55.66 0.65 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.546 0.739 . . . . 0.0 110.922 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.9 -52.91 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 176.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.86 49.04 0.51 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.219 0.533 . . . . 0.0 110.748 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.06 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.234 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -62.43 -35.79 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.355 0.598 . . . . 0.0 109.668 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG12 HG12 ' A' ' 57' ' ' VAL . 31.1 t -67.22 -39.32 82.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.693 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.607 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -62.91 -40.51 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.914 177.041 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -65.18 -44.53 88.15 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.43 -43.79 93.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.386 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.575 ' HG ' HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -65.59 -42.91 91.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.555 177.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.31 -27.53 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 111.05 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -18.34 60.67 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 t -85.88 127.77 60.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.57 144.03 97.38 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.654 2.236 . . . . 0.0 112.636 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.52 ' O ' HG21 ' A' ' 45' ' ' VAL . . . 91.8 -3.08 77.49 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -95.21 99.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -45.33 38.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.427 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.79 160.62 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' HG3' ' A' ' 19' ' ' LYS . . . -128.97 148.02 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.978 0.418 . . . . 0.0 110.928 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -132.0 85.85 2.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.823 178.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.42 131.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.66 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.29 106.63 14.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.105 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.654 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -63.86 -49.12 77.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.317 -176.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 60.1 Cg_endo -72.24 15.64 0.4 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.219 1.946 . . . . 0.0 113.177 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 35' ' ' TYR . 2.9 mtmm -134.41 -39.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.9 0.381 . . . . 0.0 110.362 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.87 20.77 38.55 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.589 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.06 129.86 45.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 111.272 -177.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.2 78.96 1.16 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.951 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 3.4 mt-30 -78.3 151.07 33.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -150.49 142.48 23.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.322 0.582 . . . . 0.0 111.77 -174.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.15 80.3 1.83 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.01 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 ' HB ' ' H ' ' A' ' 45' ' ' VAL . 2.2 pt -93.35 -165.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.521 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -159.59 148.74 14.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 45' ' ' VAL . 3.7 Cg_exo -39.99 118.66 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.956 3.104 . . . . 0.0 112.793 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.67 -42.17 1.39 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.04 95.16 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.519 0.676 . . . . 0.0 109.852 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.27 139.04 97.61 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.239 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -34.46 98.93 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.295 1.997 . . . . 0.0 112.14 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.34 58.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.398 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -52.98 15.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.558 0.694 . . . . 0.0 109.419 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -56.29 -44.14 79.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.318 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.86 -34.36 77.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.245 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.822 0.344 . . . . 0.0 110.457 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.804 HG13 ' HB2' ' A' ' 64' ' ' ALA . 41.8 t -74.88 -40.63 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.174 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.92 95.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.96 81.31 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.285 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.89 -0.29 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.775 174.247 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.93 2.5 69.11 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.759 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.94 -165.43 1.02 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -144.95 127.49 16.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.866 0.365 . . . . 0.0 110.322 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.804 ' HB2' HG13 ' A' ' 57' ' ' VAL . . . -137.39 165.45 26.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.964 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.96 142.38 44.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.648 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 4' ' ' LEU . 25.4 tp -75.23 103.38 5.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 0.0 110.036 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.13 110.74 2.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.598 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -79.35 -165.41 0.77 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.462 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.263 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.54 0.21 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.436 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -81.91 99.31 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.24 0.543 . . . . 0.0 111.594 -174.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.54 120.67 42.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 177.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -135.66 149.57 49.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.752 0.311 . . . . 0.0 110.313 176.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 137.75 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.398 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mm -95.92 141.44 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.876 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.23 137.34 32.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.132 -176.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.79 -48.26 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.729 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.508 ' HG2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.97 97.58 1.82 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -97.67 -14.99 20.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.111 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 158.02 3.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -48.21 -49.53 32.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.011 -0.995 . . . . 0.0 113.555 -170.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -48.68 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 111.696 -176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' SG ' ' HG2' ' A' ' 9' ' ' MET . 1.7 m -73.47 -40.04 64.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.18 43.07 0.28 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.462 0.648 . . . . 0.0 110.944 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 14' ' ' CYS . . . -161.32 -33.41 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.935 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -33.33 75.6 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.69 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.531 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -63.61 -38.7 92.12 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.038 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.02 -48.29 82.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 0.0 110.452 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' CB ' HD13 ' A' ' 60' ' ' LEU . . . -60.75 -42.05 96.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.867 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.728 ' HG ' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -66.23 -35.25 79.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 177.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -70.07 -22.47 63.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.108 0.48 . . . . 0.0 110.409 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -18.93 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.944 174.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -83.53 123.31 76.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.14 44.2 1.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.458 2.105 . . . . 0.0 113.122 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.65 20.02 2.57 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.08 156.28 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.682 -0.759 . . . . 0.0 111.28 -174.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 6.2 mt-30 -134.31 -43.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' HB1' ' A' ' 43' ' ' ALA . 16.5 m -153.5 155.39 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.623 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -152.58 83.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.033 0.444 . . . . 0.0 110.682 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -91.42 77.72 5.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.194 0.521 . . . . 0.0 111.087 -176.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.3 t -80.59 110.09 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.982 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.86 122.62 44.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 111.607 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -68.43 -43.37 31.67 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.216 177.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.54 8.97 0.46 Allowed 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.259 1.973 . . . . 0.0 113.038 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -137.29 -34.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.002 0.429 . . . . 0.0 110.27 177.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 19.28 59.12 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.439 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 p -116.67 127.69 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 111.329 -173.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.644 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -90.14 103.25 15.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.93 82.49 8.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.359 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.728 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.26 150.34 20.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.443 0.639 . . . . 0.0 111.135 -176.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -132.32 79.16 1.84 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.245 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 165.56 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.217 175.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG21 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -71.97 138.87 82.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 179.51 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' HG21 ' A' ' 45' ' ' VAL . 44.4 Cg_exo -58.39 100.34 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.098 2.532 . . . . 0.0 111.841 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.85 -27.73 0.59 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.06 124.86 30.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.156 -0.522 . . . . 0.0 109.816 173.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -75.07 136.9 72.66 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 -176.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 34.8 Cg_exo -58.56 -31.6 94.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.013 2.476 . . . . 0.0 112.812 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.11 -22.44 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.49 60.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.178 0.513 . . . . 0.0 109.917 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.0 mp -72.75 -46.89 51.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.224 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.59 HG22 ' HB3' ' A' ' 64' ' ' ALA . 3.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.273 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.55 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.633 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.44 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.475 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.2 t -70.9 -44.45 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.372 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -61.61 -45.08 95.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 110.644 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.14 -17.24 78.62 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 21' ' ' ALA . 1.2 tp -72.97 -21.9 60.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.79 0.329 . . . . 0.0 110.406 177.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.78 -16.31 7.85 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.72 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 32.3 m-85 -97.62 -177.16 3.7 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 142.93 49.22 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.59 ' HB3' HG22 ' A' ' 54' ' ' THR . . . -137.22 157.51 46.49 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.22 128.98 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.928 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.05 125.49 26.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.282 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.1 67.57 1.24 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.05 134.56 49.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.243 -173.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.821 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.537 -178.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.504 HG21 HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -98.98 17.9 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -175.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 7.7 m-70 -123.35 141.67 51.75 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.874 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -118.98 161.23 20.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.232 0.539 . . . . 0.0 111.398 -174.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HG3' ' OXT' ' A' ' 69' ' ' ALA . 1.7 ttmm -103.44 129.61 50.6 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.108 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 tp -74.88 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 165.65 27.79 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.45 -22.67 35.97 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.928 -1.13 . . . . 0.0 111.782 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.53 12.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.24 17.18 3.43 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -162.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 1.6 p -177.2 -164.46 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 17.1 t70 -44.52 -69.37 0.14 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.267 -1.788 . . . . 0.0 115.596 -162.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -41.12 65.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.442 0.639 . . . . 0.0 111.992 -169.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -46.54 54.03 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.387 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.77 47.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.141 0.496 . . . . 0.0 111.132 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 -48.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.425 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -35.7 79.76 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.66 -44.7 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.82 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -62.86 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.883 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.98 -55.24 37.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.291 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.573 ' HB3' HD23 ' A' ' 60' ' ' LEU . . . -65.44 -34.83 79.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.161 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.3 mt -65.49 -45.14 84.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.593 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -73.61 -11.56 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.642 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 15.4 tttt -73.69 -27.49 61.25 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.815 170.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 48.0 t -81.05 129.53 66.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.651 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 14.8 Cg_exo -67.81 141.32 53.74 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.609 2.206 . . . . 0.0 112.114 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.68 -26.3 14.79 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HA ' HG22 ' A' ' 44' ' ' ILE . 94.9 t -86.72 107.47 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.149 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -86.71 -38.49 16.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.4 152.54 30.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -138.56 96.47 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 79.94 9.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.4 0.619 . . . . 0.0 110.129 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -80.57 144.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.562 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.92 108.61 14.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.984 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -59.1 -55.61 44.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.74 43.09 1.03 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.498 2.132 . . . . 0.0 113.261 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -167.95 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.228 0.537 . . . . 0.0 110.087 176.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.31 34.52 10.48 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.502 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.853 HG23 ' HA ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -101.09 145.75 28.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -177.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.88 92.23 3.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.286 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.3 81.06 6.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.541 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -88.93 146.83 24.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.452 0.644 . . . . 0.0 111.646 -174.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.52 80.72 1.38 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.74 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD11 HG21 ' A' ' 2' ' ' THR . 0.9 OUTLIER -91.33 160.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.944 -178.234 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.752 HG12 ' H ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.21 153.84 86.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 45' ' ' VAL . 19.4 Cg_endo -58.45 -24.13 67.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.837 2.358 . . . . 0.0 113.167 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.752 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -78.31 -11.75 85.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.874 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -85.21 175.31 9.03 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.151 0.5 . . . . 0.0 110.781 178.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.04 141.72 14.81 Favored Pre-proline 0 N--CA 1.442 -0.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.116 -176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.72 -26.52 83.14 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.798 2.332 . . . . 0.0 113.117 -175.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 26.0 t70 -63.53 -27.77 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.775 0.321 . . . . 0.0 110.287 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.47 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.423 0.63 . . . . 0.0 109.915 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.14 -44.58 53.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.222 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.615 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 1.2 m -57.37 -45.02 84.84 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.769 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 51' ' ' ASP . . . -66.65 -36.5 82.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.44 79.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.737 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 35.3 t -70.34 -35.06 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.684 0.278 . . . . 0.0 110.3 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.57 94.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.202 0.525 . . . . 0.0 110.326 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.81 -15.63 80.39 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.067 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -73.66 -10.0 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 111.274 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.11 -4.95 35.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.475 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -115.73 -144.76 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.52 28.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.823 0.344 . . . . 0.0 110.154 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' A' ' 54' ' ' THR . . . -129.52 129.26 44.29 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -121.23 103.65 9.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.914 0.388 . . . . 0.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.874 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.06 109.14 3.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.686 . . . . 0.0 111.064 -178.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.62 14.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.271 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 0.1 OUTLIER 50.01 92.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.494 -177.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.853 ' HA ' HG23 ' A' ' 39' ' ' THR . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.703 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.468 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -144.5 -149.21 0.26 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.894 -175.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.468 ' H ' ' HB ' ' A' ' 2' ' ' THR . 18.4 p-80 -84.47 164.79 18.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' HB3' HD22 ' A' ' 66' ' ' LEU . 1.1 pp -129.81 163.71 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 126.69 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 10' ' ' THR . 2.3 tt -82.48 141.08 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.17 -40.24 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.81 -23.82 71.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.743 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.51 100.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.768 ' HA ' HG22 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -74.74 -25.82 59.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.775 -176.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 158.85 4.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -176.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.76 165.92 11.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.186 -1.37 . . . . 0.0 110.913 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.7 m 80.43 -56.49 0.34 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.988 0.915 . . . . 0.0 109.586 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -47.43 75.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 59.07 1.11 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.09 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.942 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -63.28 -29.49 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.638 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.94 -43.93 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.405 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 4.3 tttm -59.19 -45.7 90.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.869 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.45 -51.3 68.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.644 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.96 79.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.166 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -47.47 75.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.971 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.748 ' HA ' HG12 ' A' ' 28' ' ' VAL . 42.0 mt-10 -66.6 -20.7 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 111.139 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -20.81 60.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.351 174.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -85.1 127.77 62.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.64 143.62 99.61 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.615 2.21 . . . . 0.0 112.206 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.69 -19.8 46.18 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -174.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.766 HG11 HD22 ' A' ' 42' ' ' LEU . 80.3 t -94.62 128.52 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.286 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -51.76 4.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.631 0.253 . . . . 0.0 110.53 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -157.73 158.46 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.787 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -130.56 122.5 27.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.601 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.801 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 4.5 tp -100.53 85.31 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.371 0.605 . . . . 0.0 109.808 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.723 HG12 ' HB2' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -81.14 130.54 35.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.152 -176.642 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.54 115.41 11.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.572 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -65.16 -41.25 51.63 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 94.6 Cg_exo -45.54 -40.81 18.37 Favored 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 122.143 1.895 . . . . 0.0 113.348 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 -22.33 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.992 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.434 ' HA2' HG23 ' A' ' 10' ' ' THR . . . 81.56 19.32 66.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.303 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.76 147.94 43.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.589 . . . . 0.0 111.841 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.723 ' HB2' HG12 ' A' ' 33' ' ' VAL . . . -106.16 100.39 9.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.648 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 6.3 tp60 -73.97 90.86 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 109.807 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.766 HD22 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -94.82 132.95 39.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.469 0.652 . . . . 0.0 112.037 -171.72 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.59 83.66 2.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.783 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.71 HD12 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -97.65 156.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.27 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.21 134.93 93.49 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.906 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -39.72 124.3 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.447 2.765 . . . . 0.0 112.095 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.35 -133.58 11.7 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -168.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 m 54.64 104.2 0.01 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.507 0.67 . . . . 0.0 111.78 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -54.56 125.63 53.61 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.879 -174.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 29.3 Cg_endo -62.92 -29.99 76.56 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.503 2.136 . . . . 0.0 112.011 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 7.9 t0 -65.81 -22.87 66.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.491 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' SER . . . -75.22 -39.85 59.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.12 0.486 . . . . 0.0 110.328 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.71 HD22 HD12 ' A' ' 44' ' ' ILE . 1.2 mp -69.66 -49.03 57.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -57.53 -41.71 81.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.526 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 51' ' ' ASP . . . -66.71 -35.33 79.88 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.27 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.455 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.39 -44.42 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.19 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.62 89.77 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 -22.97 78.48 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.963 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -73.32 -20.52 60.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.219 175.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.74 -21.44 11.36 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.026 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 60' ' ' LEU . 3.8 m-85 -87.89 130.19 34.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -76.04 131.44 39.51 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 161.95 36.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.26 125.56 24.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.545 ' HG ' ' CB ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -66.66 124.58 23.26 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.085 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.47 98.93 3.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -33.24 38.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.721 -174.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.256 -178.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.648 0.261 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.503 ' HG1' ' CG ' ' A' ' 68' ' ' ASP . 26.0 p -116.32 -122.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 111.256 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.623 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 12.7 p80 -76.16 -174.18 2.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.645 -174.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.696 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.64 172.5 12.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.305 -179.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.566 ' HG2' HG21 ' A' ' 39' ' ' THR . 0.0 OUTLIER -109.2 146.96 33.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 9' ' ' MET . 1.3 tp -108.74 155.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 120.721 0.296 . . . . 0.0 110.543 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -137.51 106.51 5.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.344 0.592 . . . . 0.0 110.551 -177.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.08 -31.79 2.75 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.658 ' HB3' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -77.74 125.19 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.781 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -7.62 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -167.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p 179.71 -52.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.02 166.56 3.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 m 73.27 -61.17 0.51 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.334 0.654 . . . . 0.0 111.486 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -47.44 85.61 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 9' ' ' MET . . . -77.57 56.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.567 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.92 -44.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.466 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -58.86 -41.55 87.3 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.528 0.68 . . . . 0.0 109.311 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.06 -47.32 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.188 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -64.94 -35.17 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.579 -179.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -52.17 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.074 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.71 92.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.676 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 22' ' ' LEU . 15.7 mt -65.7 -48.43 72.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.489 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -75.45 -11.31 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.752 0.311 . . . . 0.0 111.426 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -73.09 -25.5 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 t -81.34 125.16 79.68 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.15 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 141.18 65.41 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.66 2.24 . . . . 0.0 112.132 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.55 5.51 16.2 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.39 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 29' ' ' GLN . 97.9 t -95.22 148.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.321 . . . . 0.0 110.146 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' N ' HG12 ' A' ' 28' ' ' VAL . 19.0 tt0 -132.04 -37.85 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.81 127.56 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.268 174.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -122.16 83.72 2.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.507 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.4 mt -87.94 77.61 8.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.59 HG23 ' HG3' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -76.82 117.49 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 98.85 11.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.708 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -59.21 -54.17 58.96 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.996 -173.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.6 Cg_exo -69.98 -17.11 36.78 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.145 1.897 . . . . 0.0 112.682 -176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -95.47 -34.83 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.911 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 26.32 33.31 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.758 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.566 HG21 ' HG2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -117.36 141.95 47.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.713 0.292 . . . . 0.0 110.938 -179.081 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.623 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -115.09 96.16 5.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.813 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 10.3 mm100 -78.53 82.02 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.356 0.598 . . . . 0.0 109.496 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 HD23 ' HB3' ' A' ' 31' ' ' ALA . 1.2 mt -95.48 118.07 31.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.149 -175.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.61 2.45 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.686 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.608 HG23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -87.1 145.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.633 179.332 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 ' HD2' ' A' ' 46' ' ' PRO . 14.0 t -74.86 127.91 86.16 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' HG12 ' A' ' 45' ' ' VAL . 87.1 Cg_exo -44.02 115.87 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.264 2.643 . . . . 0.0 112.553 179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.75 -38.2 1.15 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -171.6 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.625 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.26 143.01 15.78 Favored Pre-proline 0 C--N 1.316 -0.867 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.306 -178.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.13 -26.96 83.41 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.502 2.135 . . . . 0.0 112.143 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.81 -33.11 71.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.05 174.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.88 58.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.519 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 44' ' ' ILE . 1.1 mt -72.79 -45.58 57.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.527 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -59.07 -43.15 91.75 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.268 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.77 84.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.985 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.93 96.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.67 -40.86 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.26 96.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.61 -16.15 76.29 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.285 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -75.49 1.98 12.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.35 . . . . 0.0 111.23 176.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 6.28 66.21 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.102 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -109.57 -161.1 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -135.89 139.98 43.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.939 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.94 150.66 35.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.642 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 109.32 6.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.696 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -55.31 128.77 35.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -151.43 109.23 3.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.466 . . . . 0.0 110.342 -172.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.503 ' CG ' ' HG1' ' A' ' 2' ' ' THR . 0.3 OUTLIER -73.84 -51.01 17.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.678 -177.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.855 -178.301 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' H2 ' HG13 ' A' ' 44' ' ' ILE . 2.9 mpp? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.68 151.77 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.7 -174.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -123.87 127.41 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -107.88 165.44 11.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.12 -177.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE3' HG23 ' A' ' 7' ' ' THR . 11.2 ttpt -102.28 124.85 48.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.463 HG12 ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -98.51 134.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.551 HG23 ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.38 -35.92 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.632 -174.132 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.13 67.24 2.77 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.231 176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 85.35 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.813 0.845 . . . . 0.0 110.778 175.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.508 ' OG1' ' HA2' ' A' ' 38' ' ' GLY . 4.9 t -84.57 -20.6 31.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.67 161.18 2.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.455 -179.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.58 160.38 9.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.975 -176.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m 78.89 -52.67 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.818 0.847 . . . . 0.0 109.908 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' O ' HG21 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -69.03 -43.56 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.77 54.63 0.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.409 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.31 -43.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.109 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -64.24 -45.74 86.84 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.531 0.682 . . . . 0.0 109.379 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 14' ' ' CYS . 15.1 t -64.42 -40.74 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.615 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG3' ' HB1' ' A' ' 31' ' ' ALA . 5.0 tttm -62.33 -39.78 94.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.304 177.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -51.34 68.27 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.209 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' CB ' HD23 ' A' ' 60' ' ' LEU . . . -63.04 -38.17 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.03 -44.68 83.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HA ' HG12 ' A' ' 28' ' ' VAL . 11.1 mt-10 -75.11 -16.44 60.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.707 0.289 . . . . 0.0 111.193 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -10.29 59.28 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.946 0.403 . . . . 0.0 110.516 173.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 81.3 t -82.14 126.06 75.54 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.8 Cg_exo -66.84 127.58 17.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.663 2.242 . . . . 0.0 111.724 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.37 27.38 5.85 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.509 HG21 HG21 ' A' ' 44' ' ' ILE . 83.8 t -142.08 120.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -90.0 -46.05 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.785 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 143.96 20.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.901 0.382 . . . . 0.0 111.575 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 19' ' ' LYS . . . -117.62 87.84 2.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.516 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.8 74.24 9.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.156 0.503 . . . . 0.0 110.93 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.678 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.32 120.89 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 110.45 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.554 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -63.1 -44.83 85.41 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.632 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.554 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 77.3 Cg_endo -76.76 14.78 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.753 1.635 . . . . 0.0 112.582 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -133.43 -28.66 1.45 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.912 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' HA2' ' OG1' ' A' ' 10' ' ' THR . . . 82.01 20.55 62.85 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.924 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 146.95 51.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 0.0 111.322 -174.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -107.83 105.51 15.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.346 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -78.99 90.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.801 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HB3' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -100.06 112.57 24.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.615 0.721 . . . . 0.0 111.748 -174.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.97 75.41 10.13 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 53' ' ' LEU . 21.8 pt -93.52 155.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.685 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -72.22 148.83 91.49 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.21 -177.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.462 ' HD2' HG22 ' A' ' 45' ' ' VAL . 55.5 Cg_endo -71.31 52.3 1.51 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.106 2.537 . . . . 0.0 113.1 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.77 -31.21 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 118.29 19.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.06 0.457 . . . . 0.0 110.758 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 127.21 92.44 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HB2' HD13 ' A' ' 66' ' ' LEU . 91.6 Cg_exo -49.41 -37.09 40.61 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.303 2.668 . . . . 0.0 113.275 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -57.3 -25.89 60.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.48 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.97 58.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.371 0.605 . . . . 0.0 109.733 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 44' ' ' ILE . 6.7 mp -77.12 -45.46 26.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.986 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -47.75 76.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.139 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.7 84.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.154 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.78 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.788 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG12 ' HB1' ' A' ' 64' ' ' ALA . 67.5 t -70.07 -39.09 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.206 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.43 93.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.161 0.505 . . . . 0.0 110.663 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.26 -14.17 80.77 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.31 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.637 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 1.3 tp -74.5 -7.72 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.767 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.7 -7.35 57.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.684 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.637 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 51.5 m-85 -99.4 -161.77 0.9 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 133.27 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB1' HG12 ' A' ' 57' ' ' VAL . . . -145.92 163.75 34.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.17 141.91 32.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.058 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -65.2 114.74 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.606 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.69 71.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.827 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 15.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.274 -175.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.059 174.895 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.504 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.506 HG23 HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -69.27 87.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.456 0.646 . . . . 0.0 111.75 -177.103 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.933 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . 19.8 t60 -105.28 93.45 4.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.506 HD12 HG23 ' A' ' 2' ' ' THR . 4.9 mp -98.23 132.44 43.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HA ' HG21 ' A' ' 39' ' ' THR . 4.0 tttp -94.39 124.09 38.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG21 ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -100.26 116.77 44.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.862 0.839 . . . . 0.0 110.227 -176.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -20.43 18.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.806 -170.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.96 -5.77 89.91 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.536 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.37 148.44 25.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.912 0.387 . . . . 0.0 110.671 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -22.5 3.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.332 172.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 176.52 155.44 0.23 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.937 -172.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 13' ' ' SER . 17.0 p-10 21.72 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 170.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.533 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.83 -42.22 71.65 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.239 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.5 -50.63 66.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 0.0 109.959 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.86 46.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.1 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.24 -42.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.797 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -66.04 -31.34 72.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.07 -43.72 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.233 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.009 177.098 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.27 -52.77 63.32 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.49 87.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.808 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.617 HD21 HD21 ' A' ' 53' ' ' LEU . 13.1 mt -65.14 -41.92 94.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.922 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -16.55 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.396 . . . . 0.0 111.115 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -19.85 61.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 173.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 23.6 t -84.5 127.91 63.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.1 Cg_exo -66.63 149.59 83.98 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.784 2.323 . . . . 0.0 113.081 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -9.18 41.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.045 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.7 118.63 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.733 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -99.03 -36.39 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.113 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.62 147.29 25.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.942 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . . . -142.32 98.45 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.644 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -99.8 85.22 3.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.2 -178.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG22 ' HD3' ' A' ' 19' ' ' LYS . 2.7 m -83.6 135.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -114.63 104.69 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.034 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -64.8 -50.64 62.57 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.112 -178.258 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 8.6 Cg_exo -73.19 15.16 0.51 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.135 1.89 . . . . 0.0 112.837 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 17.6 mttt -133.98 -24.99 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.27 36.18 59.95 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.062 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -138.84 153.12 48.32 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.744 -0.268 . . . . 0.0 110.89 -178.591 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 42' ' ' LEU . . . -124.8 119.39 28.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.854 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 3.5 mp0 -91.97 91.48 7.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD12 ' HB1' ' A' ' 40' ' ' ALA . 3.4 mt -99.63 132.23 45.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.455 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.65 81.1 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.456 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.95 140.73 15.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.713 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.23 146.51 95.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.232 179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.36 72.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.063 2.508 . . . . 0.0 111.877 172.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.54 -33.66 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -163.66 0.89 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.156 171.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.62 144.15 16.66 Favored Pre-proline 0 N--CA 1.442 -0.856 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.2 Cg_endo -58.77 -31.11 94.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.363 2.042 . . . . 0.0 112.639 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -26.44 66.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.999 176.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.97 -34.49 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.254 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD21 HD21 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -48.25 30.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.376 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -55.06 -47.82 74.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.042 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.84 74.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.456 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.85 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.085 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HB2' ' A' ' 62' ' ' TYR . 47.8 t -70.33 -43.32 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.357 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.58 97.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.512 . . . . 0.0 110.4 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.45 -19.4 78.18 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.648 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -12.92 60.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 0.0 111.0 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.88 14.08 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.411 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.586 ' HB2' HG12 ' A' ' 57' ' ' VAL . 20.5 m-85 -88.91 -164.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 146.96 38.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.18 30.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.285 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.48 119.06 13.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.179 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.56 118.37 13.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.191 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.45 75.84 1.48 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.933 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -75.03 174.72 8.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.881 -173.186 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.837 -177.759 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.014 0.435 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 50' ' ' PRO . 3.4 m -68.74 113.45 6.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.421 -175.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 1.1 p-80 -126.87 102.5 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.088 0.47 . . . . 0.0 109.889 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -97.68 155.34 17.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.71 134.69 33.95 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 HG21 HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -100.25 147.02 8.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.289 0.566 . . . . 0.0 110.825 -176.021 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -144.07 148.49 35.23 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.26 -3.31 56.68 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.954 -1.117 . . . . 0.0 111.659 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.19 146.8 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 17.34 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 p -176.74 -176.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.37 -35.81 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.715 -161.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.39 75.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -175.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -31.38 59.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 46.55 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.532 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.8 -43.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.529 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.05 -42.62 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.29 0.567 . . . . 0.0 109.665 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.73 -38.86 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.704 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -38.34 87.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.059 176.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.43 -55.21 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.239 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -41.52 74.36 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.085 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 42' ' ' LEU . 2.7 mt -65.86 -46.26 79.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.697 ' HG3' ' HB1' ' A' ' 31' ' ' ALA . 3.7 mt-10 -76.03 -7.09 53.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.543 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -82.63 -3.98 57.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.385 . . . . 0.0 110.479 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.8 t -85.35 127.51 63.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.254 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.72 135.41 38.44 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.514 2.143 . . . . 0.0 112.077 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.84 -6.19 35.09 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -87.64 162.94 2.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -133.62 -49.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.804 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.85 131.14 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.469 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.697 ' HB1' ' HG3' ' A' ' 23' ' ' GLU . . . -110.5 106.14 15.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.627 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 1.1 mt -101.57 79.08 1.91 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 110.32 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.15 103.71 14.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.971 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.607 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.42 -44.62 88.3 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.607 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 45.0 Cg_exo -57.83 -42.24 61.14 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.742 1.628 . . . . 0.0 112.403 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HE3' HG21 ' A' ' 39' ' ' THR . 14.8 tttp -82.18 -36.2 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 39.27 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 HG21 ' HE3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -125.54 138.34 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 -177.29 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.16 96.4 6.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.018 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.17 99.49 11.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.016 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -106.57 114.19 28.15 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.342 0.592 . . . . 0.0 111.633 -173.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.96 85.16 7.24 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.669 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.493 ' O ' HG21 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -92.04 -154.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.785 177.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 46' ' ' PRO . 77.7 t -159.24 133.37 5.18 Favored Pre-proline 0 N--CA 1.465 0.291 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 45' ' ' VAL . 51.2 Cg_exo -38.47 104.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.865 3.044 . . . . 0.0 113.299 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.16 -7.78 0.65 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -143.68 101.28 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.738 -0.731 . . . . 0.0 109.03 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 151.71 96.88 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.202 -174.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.782 ' HA ' HD11 ' A' ' 53' ' ' LEU . 31.6 Cg_exo -59.55 -28.19 86.83 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.063 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.38 -28.27 68.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.958 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.27 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.906 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 50' ' ' PRO . 1.6 mt -72.98 -45.29 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.0 m -57.84 -43.24 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.006 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.37 80.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.122 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.6 89.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.591 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG13 ' HB1' ' A' ' 64' ' ' ALA . 61.5 t -69.47 -40.77 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.154 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.76 -43.21 99.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.178 0.513 . . . . 0.0 110.015 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.85 -11.92 85.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.481 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -7.59 53.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.01 3.7 51.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.639 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 55.9 m-85 -120.27 -164.42 1.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -133.16 149.51 52.06 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.744 0.306 . . . . 0.0 110.611 -178.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -152.25 166.13 32.73 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.164 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.28 136.94 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.399 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 68' ' ' ASP . 13.4 tp -68.15 97.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.104 0.478 . . . . 0.0 111.106 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -96.0 37.99 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.61 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' HA ' ' CD2' ' A' ' 3' ' ' HIS . 7.6 t0 -61.48 -44.73 96.56 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.348 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.473 175.506 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 ' H ' ' HB3' ' A' ' 1' ' ' MET . 6.6 m -71.9 113.88 9.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.002 0.429 . . . . 0.0 110.408 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -139.06 163.84 31.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -110.65 154.9 23.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 124.97 46.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 HG12 ' HG1' ' A' ' 10' ' ' THR . 1.3 tp -81.38 151.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.136 0.493 . . . . 0.0 110.959 -175.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.89 -30.05 0.82 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.573 176.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.23 45.7 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.93 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.8 150.42 0.09 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.102 0.954 . . . . 0.0 113.265 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.449 ' HB ' ' H ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -159.9 -144.64 0.11 Allowed 'General case' 0 N--CA 1.415 -2.197 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 151.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 31.9 p 146.4 -119.68 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 126.321 1.849 . . . . 0.0 107.47 166.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -82.43 143.38 31.21 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.498 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 m 71.39 -54.02 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 18' ' ' VAL . 9.4 m -59.56 -42.48 92.51 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.707 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . . . -77.32 56.38 1.34 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.34 0.59 . . . . 0.0 110.816 174.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.18 -39.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.72 -34.58 78.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 14' ' ' CYS . 40.7 t -64.46 -40.96 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.61 174.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.717 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.57 -47.55 85.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.171 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' HG ' ' A' ' 60' ' ' LEU . . . -58.42 -42.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.744 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.09 -51.65 60.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.409 -179.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.2 -12.08 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.46 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -74.31 -27.26 60.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.003 0.43 . . . . 0.0 109.858 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' HG22 ' A' ' 28' ' ' VAL . 86.1 t -78.32 127.01 82.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.945 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 148.99 77.64 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.085 1.857 . . . . 0.0 111.287 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 29.57 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.433 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.491 HG13 ' H ' ' A' ' 29' ' ' GLN . 23.4 t -141.75 160.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' H ' HG13 ' A' ' 28' ' ' VAL . 5.6 mm-40 -131.42 -46.11 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.956 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -155.78 134.04 11.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 111.278 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.92 124.01 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 0.0 110.254 173.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.74 88.71 2.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 109.976 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 135.29 25.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.86 -175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.62 91.92 4.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.727 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -57.48 -55.34 45.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.559 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 13.0 Cg_exo -71.15 -15.58 31.94 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.054 1.836 . . . . 0.0 112.806 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -28.88 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.697 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.49 33.11 20.53 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.33 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.24 150.09 45.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.13 93.45 3.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.529 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 130.91 40.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.774 HD12 HD22 ' A' ' 53' ' ' LEU . 3.7 mt -123.73 122.28 37.67 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.888 -173.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.13 75.7 6.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.589 HG22 HD11 ' A' ' 53' ' ' LEU . 2.0 pt -90.36 165.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.534 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.2 t -75.43 139.84 71.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.944 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 37.8 Cg_exo -61.26 97.14 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.763 2.308 . . . . 0.0 111.823 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.13 -38.42 0.9 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.96 126.71 29.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 0.0 110.836 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.76 131.81 81.42 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.37 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HA ' HD13 ' A' ' 53' ' ' LEU . 20.7 Cg_endo -61.72 -27.35 80.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.493 2.128 . . . . 0.0 112.026 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -21.89 66.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.657 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.2 -37.73 61.05 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 109.843 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 42' ' ' LEU . 1.1 mt -73.67 -43.8 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.439 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 m -60.33 -41.16 92.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.455 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.8 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -63.62 -41.31 98.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.446 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.612 HG12 ' HD2' ' A' ' 62' ' ' TYR . 62.3 t -69.26 -45.47 79.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.269 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -60.71 -40.72 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.435 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.57 -17.53 75.45 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.604 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -73.64 -38.41 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.734 0.302 . . . . 0.0 110.785 179.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.32 4.41 0.93 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.612 ' HD2' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -122.22 168.28 12.2 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.401 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.28 126.35 50.36 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.324 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.44 158.11 44.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 137.66 54.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.935 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.663 ' H ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.42 144.16 42.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.286 0.565 . . . . 0.0 111.329 -178.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.68 101.41 3.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.923 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -83.29 145.96 28.8 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.408 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 O-C-N 124.253 0.971 . . . . 0.0 111.666 -178.629 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.11 35.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 111.657 -173.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.07 118.24 36.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.812 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.76 HD11 HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -115.9 160.16 20.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.924 0.392 . . . . 0.0 110.25 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -116.67 124.02 48.7 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.734 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.546 HG12 ' HB3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -89.15 123.97 41.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.368 0.604 . . . . 0.0 109.4 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -28.86 12.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.639 -169.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.5 18.93 46.66 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.658 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.694 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 2.8 ttp -160.94 107.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.73 -12.9 15.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.603 0.716 . . . . 0.0 109.63 170.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -64.74 171.88 3.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 177.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.598 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 10.6 t70 -86.14 -75.2 0.39 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 113.509 -1.678 . . . . 0.0 113.137 -166.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -23.31 63.75 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -168.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.66 -36.0 82.86 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.146 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' A' ' 9' ' ' MET . . . -76.44 52.07 0.76 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.493 0.664 . . . . 0.0 110.786 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.19 -42.19 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.827 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.92 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -39.44 94.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.822 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -46.39 90.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.38 83.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.034 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.17 -48.36 70.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.581 175.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.601 ' HG2' HG11 ' A' ' 28' ' ' VAL . 18.7 mt-10 -72.16 -17.97 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.705 -176.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -16.12 61.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 79.4 t -81.16 124.87 80.61 Favored Pre-proline 0 N--CA 1.451 -0.406 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.2 Cg_exo -73.87 78.81 2.42 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.751 2.3 . . . . 0.0 112.501 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.31 41.5 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.601 HG11 ' HG2' ' A' ' 23' ' ' GLU . 14.0 t -144.96 119.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.573 . . . . 0.0 109.688 -170.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -105.39 -31.38 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.332 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 m -154.03 149.58 27.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.807 0.336 . . . . 0.0 110.883 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.87 3.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 4.6 mp -99.94 84.61 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.414 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 12.7 t -97.32 118.71 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -101.36 115.71 31.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.748 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -64.76 -55.89 25.36 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.394 -177.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.705 ' HD3' ' HD2' ' A' ' 35' ' ' TYR . 70.6 Cg_endo -73.25 9.17 1.52 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 121.893 1.729 . . . . 0.0 113.585 -171.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.78 -8.15 3.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 110.21 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.69 32.69 79.59 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.111 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.05 50.49 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.227 -0.572 . . . . 0.0 111.354 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -115.9 128.26 55.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.819 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -108.42 105.22 14.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.639 176.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.76 HD13 HD11 ' A' ' 4' ' ' LEU . 1.1 mt -103.02 127.45 50.26 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.263 0.554 . . . . 0.0 111.395 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.02 81.46 1.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.512 HG23 HG21 ' A' ' 28' ' ' VAL . 1.1 pp -99.93 163.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.412 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -76.08 138.77 68.72 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 16.6 Cg_exo -69.34 42.64 0.32 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.006 2.471 . . . . 0.0 113.857 -175.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 45' ' ' VAL . . . -120.19 -28.91 1.73 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 172.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 117.82 24.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.386 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.31 140.07 96.6 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.063 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.54 -32.94 94.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.124 1.883 . . . . 0.0 111.769 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -24.34 64.32 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.0 -35.08 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.239 0.542 . . . . 0.0 109.926 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 HG22 ' A' ' 44' ' ' ILE . 1.5 mt -72.95 -41.91 63.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.274 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -42.13 84.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.934 173.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.1 82.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.902 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.56 93.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.31 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' A' ' 64' ' ' ALA . 93.6 t -69.07 -41.08 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.094 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.74 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.271 0.558 . . . . 0.0 110.21 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.06 -18.43 79.16 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.546 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -74.59 -1.85 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 176.251 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 7.37 58.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.934 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 98.0 m-85 -113.45 -175.03 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -131.43 128.08 38.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.496 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB3' HG13 ' A' ' 57' ' ' VAL . . . -143.59 161.97 37.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.968 177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.38 146.0 37.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.997 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.524 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.18 103.17 3.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.129 0.49 . . . . 0.0 110.278 178.695 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -93.11 52.82 1.86 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -177.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.79 123.46 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.463 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.97 -178.521 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 1.4 mtm . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.76 15.88 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.156 0.503 . . . . 0.0 111.111 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 21.7 m-70 -138.62 128.55 25.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.05 142.47 49.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 169.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 140.07 45.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.089 0.471 . . . . 0.0 111.661 -173.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.7 119.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -18.47 21.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.059 0.457 . . . . 0.0 110.97 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.34 7.88 47.7 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.957 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.22 160.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.012 0.406 . . . . 0.0 111.769 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.778 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -90.71 -114.81 0.08 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 158.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.778 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 146.23 -165.25 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 146.56 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.55 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 16.5 t70 -135.49 -110.33 0.21 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 112.442 -2.163 . . . . 0.0 105.469 155.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 16.28 -76.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 153.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 18' ' ' VAL . 39.3 t -53.56 -52.58 59.28 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.863 -174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.598 ' HB1' ' HD1' ' A' ' 35' ' ' TYR . . . -76.31 53.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.644 0.735 . . . . 0.0 110.545 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.89 -47.59 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.172 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.1 -38.27 75.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.58 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.488 HG21 ' SG ' ' A' ' 14' ' ' CYS . 52.6 t -68.63 -40.89 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.353 176.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -42.25 92.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.146 176.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.42 -51.89 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.461 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.67 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 111.0 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 HD13 HD22 ' A' ' 42' ' ' LEU . 9.7 mt -65.88 -46.01 79.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HG3' ' HB1' ' A' ' 31' ' ' ALA . 70.0 mt-10 -70.05 -18.03 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.86 -15.15 60.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 173.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -79.38 132.13 63.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.066 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.48 135.35 38.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.636 2.224 . . . . 0.0 111.871 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.9 -5.64 42.97 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.1 t -96.53 156.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.58 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.556 0.217 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.1 125.2 7.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.229 -0.295 . . . . 0.0 110.41 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' HB1' ' HG3' ' A' ' 23' ' ' GLU . . . -106.28 122.5 46.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.823 0.344 . . . . 0.0 110.752 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.08 88.29 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.353 0.597 . . . . 0.0 109.588 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -84.62 145.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.881 -176.428 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.16 83.02 2.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.733 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -58.02 -43.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.697 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 47.1 Cg_exo -57.14 -33.44 95.86 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.775 1.65 . . . . 0.0 112.549 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -16.57 21.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.999 178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.21 40.7 28.41 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.55 161.5 35.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.711 0.291 . . . . 0.0 110.751 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HB2' HG12 ' A' ' 33' ' ' VAL . . . -134.27 124.16 25.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.474 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -101.64 99.36 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -103.51 119.76 39.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.063 0.458 . . . . 0.0 111.442 -174.391 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.12 81.73 7.32 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.1 152.86 3.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.459 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -75.43 133.94 73.8 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.299 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.38 116.59 2.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.704 2.269 . . . . 0.0 111.37 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.44 -34.54 2.04 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.42 -172.86 4.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 142.15 15.4 Favored Pre-proline 0 C--N 1.315 -0.892 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.429 -174.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.574 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_exo -61.01 -27.23 84.42 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -176.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -26.43 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.259 177.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.13 60.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.592 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.3 mp -80.91 -46.29 15.44 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 109.965 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -52.22 -41.52 62.79 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 57' ' ' VAL . . . -66.03 -51.01 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.586 172.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' O ' HG21 ' A' ' 57' ' ' VAL . . . -71.43 21.39 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 56' ' ' ALA . 92.2 t -143.62 -40.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.069 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.53 -41.02 89.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.547 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.6 -16.07 79.85 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.021 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -13.04 60.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.062 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.68 10.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.732 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.6 m-85 -98.04 166.96 11.18 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -107.77 124.42 50.01 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 142.68 33.52 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.29 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.69 133.4 48.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.008 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.98 107.49 2.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.85 94.28 2.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.622 ' HB2' ' HG2' ' A' ' 1' ' ' MET . 14.1 t0 -71.44 147.54 47.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.411 -174.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.44 -177.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.15 165.01 11.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.904 -172.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -109.65 131.23 55.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.791 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.7 141.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -39.1 1.49 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.22 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.35 66.09 2.98 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.627 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 4.4 mmt 85.35 111.65 0.05 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.16 0.984 . . . . 0.0 110.712 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -106.66 -17.19 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.646 -172.187 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 167.28 0.72 Allowed 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.37 78.35 1.37 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.325 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -169.69 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -67.33 -42.7 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.49 173.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.24 48.56 0.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.449 0.642 . . . . 0.0 110.359 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.22 -49.99 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.756 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -32.45 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.007 173.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.1 -40.52 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.202 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -62.31 -43.0 99.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.946 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -59.43 -53.58 56.52 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.279 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.68 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.016 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -65.38 -51.82 57.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -16.36 60.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.833 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.69 124.63 74.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.76 133.98 38.71 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.25 1.967 . . . . 0.0 111.821 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.88 -11.37 38.01 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 44' ' ' ILE . 98.8 t -95.29 127.54 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.241 -0.479 . . . . 0.0 109.907 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -45.93 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -154.88 134.35 12.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.47 90.03 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 0.0 109.919 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -80.9 78.7 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.279 0.562 . . . . 0.0 110.886 -176.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.4 139.42 17.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.768 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.07 109.16 13.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.245 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.486 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -67.92 -44.15 39.64 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -176.529 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 56.8 Cg_endo -71.13 10.79 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.942 1.761 . . . . 0.0 112.961 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 2.1 mptt -134.45 -32.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.396 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 84.53 26.56 38.65 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.18 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.43 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -116.61 140.13 49.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.101 0.477 . . . . 0.0 111.768 -175.532 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.53 102.07 9.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.577 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 12.6 mt-30 -90.17 99.92 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 ' HG ' ' A' ' 22' ' ' LEU . 1.8 mt -92.4 119.15 31.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.068 0.461 . . . . 0.0 111.56 -174.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.36 79.62 3.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.163 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -101.3 164.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.968 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -75.31 129.51 82.22 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.4 131.34 22.91 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.654 2.236 . . . . 0.0 111.452 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.34 -36.71 3.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.78 115.41 13.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 110.042 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -64.32 129.25 94.01 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.529 -175.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.464 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 32.2 Cg_exo -59.14 -37.93 89.41 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.579 2.186 . . . . 0.0 112.161 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.33 -21.34 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.413 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.15 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.207 0.527 . . . . 0.0 110.105 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HG21 ' A' ' 44' ' ' ILE . 1.7 mt -72.17 -41.81 66.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.495 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 m -59.11 -41.04 87.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.972 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.63 83.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.711 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.34 94.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' LEU . 98.3 t -69.64 -39.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.931 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.11 -42.51 96.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.82 -17.13 76.59 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.222 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -6.01 46.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.09 -6.02 53.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.038 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 56.0 m-85 -103.82 -178.92 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 128.42 41.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.0 0.428 . . . . 0.0 110.636 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.88 27.66 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.357 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.61 133.74 31.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.562 0.22 . . . . 0.0 110.701 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -70.85 98.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.32 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.272 -178.324 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 p80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.543 0.687 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 50' ' ' PRO . 4.6 mt -105.92 155.38 19.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.835 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.73 129.47 44.76 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.17 148.27 5.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.353 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -147.11 159.99 42.95 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.71 -49.08 1.45 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.526 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.565 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtm -153.65 97.22 2.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.506 . . . . 0.0 109.824 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.48 -24.03 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.581 -172.444 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 161.04 3.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -44.12 -51.12 8.26 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -172.367 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -27.6 56.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.791 0.329 . . . . 0.0 111.737 -169.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.565 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -83.38 -41.81 17.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.991 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.94 49.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.576 0.703 . . . . 0.0 110.283 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.98 -38.54 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.501 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -65.06 -40.01 94.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.302 170.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.25 -40.54 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.711 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -38.57 88.86 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -49.28 72.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.47 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 60' ' ' LEU . . . -60.08 -40.92 91.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.064 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.87 -45.31 82.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -70.29 -17.89 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.455 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -14.95 61.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.99 0.424 . . . . 0.0 109.974 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 90.6 t -83.53 123.28 76.75 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.1 Cg_exo -79.23 44.71 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.007 2.472 . . . . 0.0 113.232 -174.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.85 -4.33 5.2 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 169.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 44' ' ' ILE . 75.0 t -96.11 126.21 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.409 -0.896 . . . . 0.0 110.993 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -87.81 -43.76 11.61 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 m -160.81 163.48 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.007 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.58 121.68 13.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.913 0.387 . . . . 0.0 111.01 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.53 89.14 3.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.23 0.538 . . . . 0.0 109.901 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.85 119.09 37.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.885 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.02 102.52 13.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.146 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.53 -49.88 85.1 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.109 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 12.3 Cg_exo -71.14 10.63 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.284 1.989 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -8.81 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.949 0.404 . . . . 0.0 110.441 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 60.83 33.09 81.77 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.957 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 142.15 51.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.961 0.41 . . . . 0.0 111.6 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.58 100.36 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.228 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -85.11 93.73 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD22 HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.81 134.86 36.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.214 0.53 . . . . 0.0 111.654 -174.474 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.92 1.74 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.972 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 28' ' ' VAL . 1.6 pt -96.91 160.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.175 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 47' ' ' GLY . 61.7 t -72.11 134.59 82.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.477 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.02 -17.42 19.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.146 2.564 . . . . 0.0 113.588 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -64.63 -30.6 78.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.677 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.82 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 175.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -150.14 141.61 14.98 Favored Pre-proline 0 N--CA 1.442 -0.867 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.144 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.542 ' HA ' HD12 ' A' ' 53' ' ' LEU . 37.6 Cg_exo -60.01 -27.57 85.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.9 2.4 . . . . 0.0 112.972 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HA ' HD22 ' A' ' 66' ' ' LEU . 1.5 p30 -66.96 -21.84 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.805 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.75 -40.08 49.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.27 -44.0 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.658 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.476 HG21 HD23 ' A' ' 66' ' ' LEU . 10.1 m -59.96 -41.1 91.21 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.123 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.03 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.868 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.12 90.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.478 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' LEU . 63.4 t -67.85 -41.95 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.86 82.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.595 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.41 -17.14 67.17 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.367 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 178.428 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.69 -6.67 27.88 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.067 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -98.12 -170.04 1.91 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 5.2 tptt -131.07 133.12 45.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.75 0.31 . . . . 0.0 110.182 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.69 155.31 45.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.074 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 116.89 18.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.569 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -75.11 98.99 3.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.374 176.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 -173.227 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.917 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.094 0 CA-C-O 121.268 0.556 . . . . 0.0 112.126 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.532 HD21 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -118.45 -170.83 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.649 176.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -130.23 140.37 50.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 tt -111.52 137.95 42.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.54 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.12 -32.59 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.523 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.16 13.21 58.09 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.72 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -86.63 124.5 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.741 -0.27 . . . . 0.0 110.525 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -13.76 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 0.0 109.745 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 p 177.63 -121.07 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.889 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 15.7 t70 -113.64 -26.18 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.606 -0.437 . . . . 0.0 112.151 -167.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -51.68 68.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.349 0.595 . . . . 0.0 110.516 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -40.89 96.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.158 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . . . -76.45 46.89 0.45 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.137 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.36 -41.62 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.208 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.04 -41.01 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 57' ' ' VAL . 6.0 t -63.86 -42.84 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.328 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -60.38 -44.87 95.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.319 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 1.8 mt-10 -59.1 -50.41 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.25 96.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.17 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.96 -49.43 67.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.12 -11.79 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 111.181 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -74.97 -16.88 60.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.184 170.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.06 124.31 72.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.38 58.11 5.02 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.995 2.463 . . . . 0.0 112.511 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.97 35.39 0.62 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 44' ' ' ILE . 55.3 t -142.57 125.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.746 -0.727 . . . . 0.0 109.716 -170.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -94.49 -42.36 8.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -154.81 119.54 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.11 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -101.84 120.98 41.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.39 71.33 1.33 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.244 0.545 . . . . 0.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.9 t -71.56 114.98 10.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.794 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.11 112.24 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.986 0.422 . . . . 0.0 111.632 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -60.52 -43.3 92.29 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.677 177.288 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 25.9 Cg_endo -61.91 0.83 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 121.974 1.782 . . . . 0.0 113.554 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -24.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.727 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA2' ' SD ' ' A' ' 9' ' ' MET . . . 78.82 19.82 72.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.786 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.77 140.99 48.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 -175.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -97.42 85.36 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.325 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 26.0 mt-30 -75.38 87.39 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.99 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -108.45 125.17 51.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.432 -175.731 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.45 78.59 7.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.681 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.82 153.95 3.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.147 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.01 137.55 69.18 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.233 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.09 123.12 12.72 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.874 2.382 . . . . 0.0 111.82 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.3 -36.85 2.39 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.92 110.44 17.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.96 0.41 . . . . 0.0 110.193 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 5.8 p -74.47 140.79 75.89 Favored Pre-proline 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.603 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 31.7 Cg_exo -59.02 -26.9 83.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 112.328 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.66 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.49 59.56 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.499 0.666 . . . . 0.0 109.856 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.532 HD22 HD21 ' A' ' 4' ' ' LEU . 3.4 mp -72.22 -45.03 61.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.121 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -57.54 -42.86 83.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.897 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.74 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.008 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.68 88.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.97 -37.71 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.052 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.49 -40.04 95.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.396 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.05 -9.63 80.05 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.607 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.31 -13.61 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.94 0.4 . . . . 0.0 111.33 177.682 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.86 -4.25 19.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -118.93 -163.3 0.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 152.6 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 -177.86 6.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.343 0.592 . . . . 0.0 111.642 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.23 -159.1 0.99 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.23 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.04 147.84 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.738 178.166 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.008 0.433 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -138.42 138.65 38.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -80.21 126.6 31.31 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -93.56 143.73 10.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.645 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.59 152.82 45.77 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 -46.75 1.12 Allowed Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.513 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -169.67 141.02 2.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.787 HG21 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.89 -53.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -33.55 -52.25 0.39 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -164.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -172.88 153.13 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.993 0.361 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m 74.12 -52.39 0.69 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.701 . . . . 0.0 112.537 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HG ' ' H ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.83 -52.97 62.01 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.118 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.1 51.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.397 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.238 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.01 -33.86 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 167.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.9 -39.22 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.29 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 6.7 tttm -63.83 -38.32 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -50.01 74.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.075 0.464 . . . . 0.0 110.383 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.94 -35.73 81.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 175.496 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.74 -13.98 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.926 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 1.1 ttmm -73.56 -13.57 61.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.287 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.71 122.98 78.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -79.81 48.81 2.98 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.635 2.223 . . . . 0.0 113.449 -173.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.59 10.12 1.45 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 44' ' ' ILE . 42.6 t -96.69 122.51 48.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.245 -174.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -44.35 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.012 0.434 . . . . 0.0 109.872 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -154.73 122.2 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.531 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.38 78.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.241 0.544 . . . . 0.0 110.004 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.4 84.09 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 40' ' ' ALA . 2.1 t -72.29 131.5 34.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -97.78 91.76 5.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.299 0.571 . . . . 0.0 110.167 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.644 ' HD1' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -57.86 -51.38 82.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.442 -178.721 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.644 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 7.2 Cg_exo -74.4 16.62 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.734 2.289 . . . . 0.0 112.919 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.65 -32.08 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.41 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' A' ' 10' ' ' THR . . . 92.29 15.89 51.97 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.234 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 165.62 20.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -125.78 131.67 52.43 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.569 0.224 . . . . 0.0 110.631 177.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.6 91.1 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 4' ' ' LEU . 1.2 mp -101.88 101.71 12.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.34 0.591 . . . . 0.0 110.801 -174.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.12 83.19 4.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.778 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.543 HG21 HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.79 167.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.649 177.27 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.24 146.94 82.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.189 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HD2' HG22 ' A' ' 45' ' ' VAL . 25.5 Cg_endo -61.89 95.84 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.806 2.338 . . . . 0.0 111.928 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.07 -35.85 0.45 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.08 125.58 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.842 0.353 . . . . 0.0 110.552 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 139.22 82.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_endo -65.04 -31.98 54.31 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.19 1.927 . . . . 0.0 111.995 -178.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -67.04 -18.3 65.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.852 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 -37.34 57.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.311 0.577 . . . . 0.0 110.188 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 22' ' ' LEU . 1.1 mp -75.19 -51.87 12.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.921 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -55.35 -45.2 76.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.353 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.19 78.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.07 99.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.744 0.306 . . . . 0.0 110.276 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -73.84 -40.81 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.442 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.1 78.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.341 0.591 . . . . 0.0 110.343 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.18 75.97 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.494 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -74.29 4.48 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.403 . . . . 0.0 111.22 176.011 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.42 24.09 44.79 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.513 ' HE1' ' HB2' ' A' ' 9' ' ' MET . 69.3 m-85 -132.35 -160.16 1.02 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -140.96 152.99 45.41 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 5' ' ' LYS . . . -152.04 154.71 36.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.554 176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.12 126.13 19.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.967 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -72.43 99.1 2.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.332 0.587 . . . . 0.0 111.435 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.612 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 66' ' ' LEU . 59.8 mt -120.51 151.38 39.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -111.48 124.18 51.75 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' A' ' 9' ' ' MET . 1.3 tt -89.71 114.43 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.422 0.63 . . . . 0.0 110.349 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -18.96 19.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.505 -174.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.58 -10.14 73.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.649 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.69 ' HB3' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.68 142.78 27.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.74 9.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.693 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 p 176.98 -169.94 0.07 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.797 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.77 -29.04 69.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -55.68 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 111.96 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.54 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.43 45.78 0.4 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 0.0 111.517 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.4 -42.06 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.92 -33.67 76.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 170.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 5.4 t -68.59 -39.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.705 176.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -61.39 -44.77 96.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.62 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.79 -53.28 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.92 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.067 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -65.16 -54.53 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.77 -15.04 63.29 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.725 0.298 . . . . 0.0 111.407 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -24.97 59.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.174 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 42.6 t -81.68 124.88 79.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.6 Cg_exo -77.06 43.58 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.759 2.306 . . . . 0.0 113.12 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 -4.55 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.06 151.43 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.384 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.34 -30.71 1.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.98 0.419 . . . . 0.0 109.988 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.14 101.31 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.965 171.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.12 104.52 15.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.855 0.359 . . . . 0.0 110.559 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -108.83 93.34 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.245 0.545 . . . . 0.0 110.657 -176.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.63 114.27 30.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.129 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -93.5 117.77 30.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -69.59 -49.83 20.57 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -175.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.9 Cg_exo -70.18 9.9 0.61 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.143 1.896 . . . . 0.0 112.744 -176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 5.6 mmtp -134.37 -26.76 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.93 25.48 71.47 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.818 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -117.17 140.46 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.092 0.472 . . . . 0.0 111.315 -175.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.15 112.76 25.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.332 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.527 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -99.08 111.04 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -114.63 126.96 55.49 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.638 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.3 77.82 1.83 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 168.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.521 HG13 ' H ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -93.44 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.332 -175.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.593 HG12 ' H ' ' A' ' 47' ' ' GLY . 92.6 t -73.5 141.07 79.46 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.619 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 45' ' ' VAL . 9.2 Cg_endo -52.89 -18.97 10.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.157 2.571 . . . . 0.0 113.683 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -92.17 37.17 3.44 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.41 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.51 125.18 14.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.959 0.409 . . . . 0.0 110.851 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.84 139.99 35.24 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.35 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CB ' HD13 ' A' ' 66' ' ' LEU . 75.0 Cg_exo -56.13 -35.53 95.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 112.671 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.14 67.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.273 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.02 -38.57 52.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.304 0.573 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.7 -43.13 66.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.24 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.9 m -57.73 -42.83 84.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.916 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.15 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.019 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.9 97.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.98 -42.53 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.268 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' HB1' ' HE2' ' A' ' 63' ' ' LYS . . . -63.82 -42.79 97.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.158 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.74 -22.26 79.15 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.588 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -3.63 31.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 111.059 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.4 -6.68 39.22 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.901 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 48.8 m-85 -101.38 -161.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.54 147.08 30.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.97 38.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.667 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.18 139.92 33.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.0 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 4' ' ' LEU . 10.1 tp -75.29 83.94 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.695 0.76 . . . . 0.0 110.603 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.43 177.043 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -112.5 135.74 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 167.45 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 6.8 ttpt -96.96 127.74 43.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.708 0.29 . . . . 0.0 110.39 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 tp -84.37 123.93 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.55 -17.45 6.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.02 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.79 -28.58 68.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.165 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -177.06 122.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.13 -33.59 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -172.219 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.84 157.87 4.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -172.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.643 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -43.34 -57.34 3.07 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 113.502 -1.681 . . . . 0.0 114.436 -172.066 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 -33.2 67.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.403 . . . . 0.0 111.769 -172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -69.4 -49.01 59.27 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' HD1' ' A' ' 35' ' ' TYR . . . -76.56 50.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.41 0.624 . . . . 0.0 110.441 174.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.92 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.025 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -36.31 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 166.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 57' ' ' VAL . 79.8 t -65.03 -45.76 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.17 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.22 88.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.414 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.91 -50.7 65.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . . . -57.34 -42.39 81.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.78 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.581 ' HG ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.87 -39.78 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.38 -15.38 61.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 21' ' ' ALA . 5.5 mtpt -73.32 -18.44 61.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 109.854 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 12.5 t -85.64 123.03 73.11 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.49 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.0 Cg_exo -78.98 59.81 7.53 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.065 2.51 . . . . 0.0 112.289 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.61 48.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 44' ' ' ILE . 17.5 t -142.65 123.68 11.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.832 0.349 . . . . 0.0 110.278 -171.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.93 -33.38 11.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.119 0.485 . . . . 0.0 110.181 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -153.81 144.01 22.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.865 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -136.42 75.56 1.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.065 0.46 . . . . 0.0 110.024 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.19 82.21 7.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 110.674 -175.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.73 131.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.358 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.673 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -118.39 90.36 3.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.69 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -55.22 -55.36 40.32 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.609 -174.313 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 32.9 Cg_endo -63.91 -20.64 68.45 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.899 1.733 . . . . 0.0 112.598 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.673 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 4.9 mtpt -95.76 -9.16 32.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.405 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.87 25.93 73.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.129 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.84 149.55 38.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.469 0.652 . . . . 0.0 112.151 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.648 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -130.1 98.7 4.82 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.703 170.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.13 88.94 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.719 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -105.73 114.88 29.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -175.717 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.28 86.74 5.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -82.65 155.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.701 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -76.71 132.28 72.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.433 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -52.26 132.03 42.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.645 2.23 . . . . 0.0 111.684 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.23 -37.42 2.77 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -170.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 178.23 8.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.873 -0.664 . . . . 0.0 109.669 170.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 49.5 m -151.7 143.34 15.92 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HA ' HD12 ' A' ' 53' ' ' LEU . 36.8 Cg_exo -56.9 -31.8 90.38 Favored 'Trans proline' 0 CA--C 1.518 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 112.731 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -31.78 67.26 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.529 0.518 . . . . 0.0 110.235 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -30.86 57.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.4 mt -80.48 -48.45 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.081 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 m -54.86 -46.78 74.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.936 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.21 84.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.033 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -60.99 -40.06 92.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.564 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.9 t -74.23 -40.87 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.21 92.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.392 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.99 -12.53 84.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.607 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -78.36 -0.6 29.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.6 -8.06 59.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.7 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.408 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 53.0 m-85 -101.85 -152.85 0.44 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -155.66 141.39 17.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.88 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.08 154.73 45.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.69 114.13 7.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.256 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -62.77 145.49 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 120.772 0.32 . . . . 0.0 110.282 -176.029 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t60 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.02 0.438 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt -117.65 152.77 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -112.76 136.71 52.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' MET . 3.6 tt -89.82 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.73 -26.36 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 0.0 111.447 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.28 74.76 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.208 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -171.85 -172.65 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 t -155.72 -41.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.86 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.21 -124.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -109.4 -82.27 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 120.821 -1.174 . . . . 0.0 113.179 -162.018 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.79 63.17 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.681 0.393 . . . . 0.0 111.955 -172.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -54.85 29.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.206 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.54 49.65 0.62 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.38 0.609 . . . . 0.0 110.729 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.87 -41.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -70.54 -35.8 73.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.19 -37.52 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.831 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tttm -64.25 -39.52 94.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.995 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.78 -53.71 54.73 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.08 0.467 . . . . 0.0 110.107 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -60.6 -37.08 80.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.251 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -47.67 75.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.87 -15.71 62.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.654 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.33 -25.82 59.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.114 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 55.1 t -71.37 123.79 89.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.928 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 24.1 Cg_exo -64.27 132.62 34.51 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.38 2.053 . . . . 0.0 111.65 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.09 -18.72 23.52 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 44' ' ' ILE . 69.1 t -95.31 121.79 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.069 -0.565 . . . . 0.0 110.167 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.54 -44.6 7.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 0.0 110.732 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.42 136.5 15.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.169 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -114.58 109.29 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.155 0.502 . . . . 0.0 110.516 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.98 73.97 2.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.625 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.43 116.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.08 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.51 83.03 4.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.477 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.86 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -54.77 -50.19 87.28 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.068 -174.048 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 41.9 Cg_endo -68.15 9.97 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.007 1.804 . . . . 0.0 113.617 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -133.35 -5.86 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.714 0.293 . . . . 0.0 110.36 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.88 23.09 70.79 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.689 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 144.78 40.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.537 . . . . 0.0 111.612 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.47 101.61 9.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.186 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.19 129.79 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.21 128.79 38.69 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.972 -174.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.94 82.29 2.97 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.623 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -100.29 170.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.201 -176.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.448 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 74.8 t -74.56 122.25 87.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.027 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 45' ' ' VAL . 9.8 Cg_endo -53.51 103.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.104 2.536 . . . . 0.0 111.915 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.26 -31.94 1.4 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.311 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -71.61 118.77 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.75 138.98 88.28 Favored Pre-proline 0 N--CA 1.442 -0.826 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.475 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.04 -19.15 65.21 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.528 2.152 . . . . 0.0 112.191 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.74 74.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.083 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.5 60.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG21 ' A' ' 44' ' ' ILE . 1.2 mp -72.71 -45.16 60.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.493 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 93.6 m -57.55 -42.88 83.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.924 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.92 79.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.95 94.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.9 t -68.67 -34.89 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.872 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -48.14 74.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.251 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.21 -13.03 73.01 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.331 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.27 -10.76 59.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.006 0.432 . . . . 0.0 110.618 174.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.01 10.64 45.33 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.37 -150.78 0.46 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -155.28 135.84 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -119.72 166.73 12.84 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.71 122.55 21.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.51 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.96 122.74 24.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.0 110.288 178.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.943 179.626 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 HD22 ' A' ' 42' ' ' LEU . 1.8 mm? -82.37 122.35 27.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.442 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 138.05 32.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 tp -98.41 140.36 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.183 0.516 . . . . 0.0 110.541 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.01 -9.44 2.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.659 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -82.48 55.7 4.98 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtm 78.18 124.3 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 124.777 0.928 . . . . 0.0 109.954 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.615 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -88.45 -21.64 24.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.292 -171.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 159.38 4.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.5 p-10 -52.69 -58.28 7.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.649 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -45.81 64.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.77 -49.81 42.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.79 49.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 111.124 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.59 -41.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -68.56 -36.48 78.85 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 109.387 171.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.19 -39.81 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.066 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -61.63 -38.11 86.45 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.992 176.166 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 35.8 mt-10 -60.66 -52.24 65.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 60' ' ' LEU . . . -62.7 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 110.943 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 42' ' ' LEU . 33.8 mt -66.51 -52.57 44.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.475 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 4.6 mt-10 -72.91 -11.53 60.62 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.407 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -73.74 -23.89 59.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -73.07 123.05 89.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.15 44.14 1.66 Allowed 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.574 2.182 . . . . 0.0 113.486 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.02 1.8 5.07 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.44 HG22 HG22 ' A' ' 44' ' ' ILE . 77.5 t -96.44 134.2 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.686 -0.757 . . . . 0.0 110.666 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -44.63 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 m -156.14 126.96 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.461 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.2 100.25 9.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.924 0.392 . . . . 0.0 109.956 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mt -100.08 84.31 2.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.084 0.469 . . . . 0.0 110.646 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -79.46 136.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.16 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.56 96.55 5.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.533 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -56.98 -51.96 77.71 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 35.2 Cg_endo -66.09 -20.86 56.64 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.799 1.666 . . . . 0.0 112.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.38 -19.59 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.642 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 70.12 27.75 72.53 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.407 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.23 146.78 51.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 111.565 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -115.69 108.77 16.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.539 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -79.34 80.37 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 53' ' ' LEU . 1.5 mp -86.93 103.28 15.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.868 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.11 79.4 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.483 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.566 HG13 ' HB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -89.87 157.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.44 133.57 91.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.202 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.25 111.94 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.211 2.607 . . . . 0.0 112.394 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.02 -36.97 1.91 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.566 ' HB ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -77.18 109.81 11.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 175.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.52 130.55 90.54 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.33 -176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.816 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.1 Cg_exo -56.08 -30.08 77.29 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.744 2.296 . . . . 0.0 112.572 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.15 -27.3 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 110.446 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.98 -33.11 59.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.452 0.644 . . . . 0.0 110.016 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.2 mt -75.1 -41.72 58.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.12 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -58.28 -44.39 88.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.114 173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.652 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.31 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.757 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.3 t -72.4 -38.65 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.386 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.89 87.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 110.25 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.2 -13.51 82.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.495 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.72 -7.88 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.061 0.458 . . . . 0.0 110.612 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.62 10.25 50.76 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.557 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.708 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 57.0 m-85 -119.89 -154.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.41 135.61 21.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.828 0.347 . . . . 0.0 111.185 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.12 163.19 37.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.543 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.37 141.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.793 0.33 . . . . 0.0 111.164 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.77 104.28 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.305 177.306 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.416 179.583 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.3 m170 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -135.98 174.04 11.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.407 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -119.16 135.78 54.5 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.935 0.398 . . . . 0.0 110.83 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.94 134.8 34.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -14.71 3.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -72.58 -27.42 69.43 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.461 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.468 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -178.25 128.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -115.46 -59.25 2.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -34.12 -55.11 0.5 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 -164.287 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.26 172.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.594 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m 70.44 -67.01 0.26 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.641 0.588 . . . . 0.0 111.398 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.23 -49.39 77.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.04 50.79 0.62 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.324 0.583 . . . . 0.0 110.806 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.09 -43.92 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.07 -34.41 76.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 169.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.33 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.244 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -62.33 -39.42 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.907 175.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.83 -52.05 67.09 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 24' ' ' LYS . . . -59.66 -37.99 80.22 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.116 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 53' ' ' LEU . 29.9 mt -64.56 -47.79 77.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.21 -6.64 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 3.4 tttt -73.78 -28.28 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.89 131.41 79.19 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.12 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.71 146.2 78.01 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.333 2.022 . . . . 0.0 112.408 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 97.47 -13.74 63.99 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -175.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' A' ' 44' ' ' ILE . 51.2 t -95.04 112.55 27.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 1.6 tt0 -87.06 -54.32 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.819 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m -154.15 116.36 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -96.55 111.98 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -104.09 93.33 4.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.74 127.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 m -94.81 101.6 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.678 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.91 -55.77 40.21 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 14.49 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.839 1.693 . . . . 0.0 113.005 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -133.25 -10.34 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.06 16.84 64.88 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.421 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.61 135.76 45.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.938 0.399 . . . . 0.0 111.441 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.02 104.04 12.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.5 80.02 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.653 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.31 127.09 39.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -176.002 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 29' ' ' GLN . . . -84.33 81.55 8.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -92.52 149.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.38 177.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 27' ' ' GLY . 1.5 t -74.97 136.47 73.28 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HG12 ' A' ' 45' ' ' VAL . 9.3 Cg_endo -52.67 -11.78 1.48 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.869 3.046 . . . . 0.0 114.856 -174.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.23 -23.1 78.17 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.46 177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -85.5 -172.59 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.753 0.311 . . . . 0.0 110.682 178.263 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.25 136.24 10.28 Favored Pre-proline 0 N--CA 1.439 -1.021 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.584 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.797 ' HB2' HD11 ' A' ' 66' ' ' LEU . 75.9 Cg_exo -54.25 -30.08 60.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.476 2.784 . . . . 0.0 113.501 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.01 -32.37 67.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.541 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.4 60.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.203 0.525 . . . . 0.0 110.308 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.662 HD23 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.17 -46.35 42.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.784 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -57.88 -43.86 86.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.301 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.08 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.15 92.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.682 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.4 t -70.8 -39.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.394 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.53 -44.35 91.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 -13.61 79.57 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.494 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.66 -3.48 31.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.647 174.431 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.54 3.0 59.89 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.858 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 61.1 m-85 -116.93 -175.64 2.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' H ' ' HA3' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -116.4 142.08 47.32 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.734 0.302 . . . . 0.0 110.97 -178.139 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.61 153.12 39.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.88 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.75 138.93 43.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.457 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -70.23 108.07 4.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.346 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.776 ' HB2' ' HA ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.956 0.407 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 4' ' ' LEU . 2.8 mm? -104.5 154.9 19.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.411 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -112.16 123.44 50.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -86.64 140.29 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.478 -176.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.86 -39.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.68 73.05 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.083 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -173.04 125.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -50.26 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -165.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -59.15 -120.65 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -169.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 41.0 t0 -104.22 169.75 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.777 -0.577 . . . . 0.0 109.93 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 71.23 -55.66 0.65 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.546 0.739 . . . . 0.0 110.922 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HG ' ' H ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -62.9 -52.91 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 176.474 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.86 49.04 0.51 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.219 0.533 . . . . 0.0 110.748 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.06 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.234 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -62.43 -35.79 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.355 0.598 . . . . 0.0 109.668 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 57' ' ' VAL . 31.1 t -67.22 -39.32 82.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.693 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -62.91 -40.51 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.914 177.041 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -65.18 -44.53 88.15 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.43 -43.79 93.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.386 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.59 -42.91 91.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.555 177.34 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.31 -27.53 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 111.05 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -18.34 60.67 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ALA . 28.0 t -85.88 127.77 60.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 33.1 Cg_exo -61.57 144.03 97.38 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.654 2.236 . . . . 0.0 112.636 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 91.8 -3.08 77.49 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG22 HG22 ' A' ' 44' ' ' ILE . 54.3 t -95.21 99.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -45.33 38.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.427 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.79 160.62 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -128.97 148.02 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.978 0.418 . . . . 0.0 110.928 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -132.0 85.85 2.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.823 178.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.42 131.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.66 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.29 106.63 14.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.105 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.671 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -63.86 -49.12 77.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.317 -176.772 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 60.1 Cg_endo -72.24 15.64 0.4 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.219 1.946 . . . . 0.0 113.177 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -134.41 -39.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.9 0.381 . . . . 0.0 110.362 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.87 20.77 38.55 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.589 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.06 129.86 45.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 111.272 -177.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.2 78.96 1.16 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.951 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 3.4 mt-30 -78.3 151.07 33.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.49 142.48 23.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.322 0.582 . . . . 0.0 111.77 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.15 80.3 1.83 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.01 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 28' ' ' VAL . 2.2 pt -93.35 -165.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.521 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.815 HG12 ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -159.59 148.74 14.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HD2' HG12 ' A' ' 45' ' ' VAL . 3.7 Cg_exo -39.99 118.66 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.956 3.104 . . . . 0.0 112.793 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.67 -42.17 1.39 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.04 95.16 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.519 0.676 . . . . 0.0 109.852 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -64.27 139.04 97.61 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.239 -177.089 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 32.2 Cg_exo -58.68 -34.46 98.93 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.295 1.997 . . . . 0.0 112.14 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.34 58.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.398 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -71.54 -52.98 15.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.558 0.694 . . . . 0.0 109.419 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -56.29 -44.14 79.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.318 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.36 77.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.245 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.822 0.344 . . . . 0.0 110.457 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.8 t -74.88 -40.63 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.174 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.92 95.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.96 81.31 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.285 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.89 -0.29 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.775 174.247 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.93 2.5 69.11 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.759 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.94 -165.43 1.02 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 19.4 tptm -144.95 127.49 16.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.866 0.365 . . . . 0.0 110.322 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB2' HG11 ' A' ' 57' ' ' VAL . . . -137.39 165.45 26.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.964 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.96 142.38 44.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.648 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.23 103.38 5.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 0.0 110.036 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.598 -177.773 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.752 ' HG ' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -135.66 149.57 49.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.752 0.311 . . . . 0.0 110.313 176.181 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 137.75 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.398 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mm -95.92 141.44 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.876 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.23 137.34 32.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.132 -176.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.79 -48.26 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.729 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.525 ' HG2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.97 97.58 1.82 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -97.67 -14.99 20.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.111 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 158.02 3.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -48.21 -49.53 32.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.011 -0.995 . . . . 0.0 113.555 -170.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -48.68 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 111.696 -176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' SG ' ' HG2' ' A' ' 9' ' ' MET . 1.7 m -73.47 -40.04 64.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.18 43.07 0.28 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.462 0.648 . . . . 0.0 110.944 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.32 -33.41 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.935 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -33.33 75.6 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 57' ' ' VAL . 54.7 t -62.69 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.531 172.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.723 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 10.9 ttpp -63.61 -38.7 92.12 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.038 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.02 -48.29 82.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 0.0 110.452 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.05 96.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.867 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -66.23 -35.25 79.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 177.194 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' HG11 ' A' ' 28' ' ' VAL . 11.8 mt-10 -70.07 -22.47 63.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.108 0.48 . . . . 0.0 110.409 177.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -18.93 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.944 174.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -83.53 123.31 76.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.14 44.2 1.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.458 2.105 . . . . 0.0 113.122 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.65 20.02 2.57 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -95.08 156.28 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.682 -0.759 . . . . 0.0 111.28 -174.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 6.2 mt-30 -134.31 -43.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 16.5 m -153.5 155.39 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.623 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.723 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -152.58 83.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.033 0.444 . . . . 0.0 110.682 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -91.42 77.72 5.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.194 0.521 . . . . 0.0 111.087 -176.684 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.3 t -80.59 110.09 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.982 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.86 122.62 44.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 111.607 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -68.43 -43.37 31.67 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.216 177.576 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.54 8.97 0.46 Allowed 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.259 1.973 . . . . 0.0 113.038 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -34.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.002 0.429 . . . . 0.0 110.27 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 19.28 59.12 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.439 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 p -116.67 127.69 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 111.329 -173.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -90.14 103.25 15.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.93 82.49 8.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.359 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.26 150.34 20.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.443 0.639 . . . . 0.0 111.135 -176.175 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -132.32 79.16 1.84 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.245 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.607 HD13 ' HB ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -90.64 165.56 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.217 175.79 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.97 138.87 82.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.39 100.34 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.098 2.532 . . . . 0.0 111.841 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.85 -27.73 0.59 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.607 ' HB ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -82.06 124.86 30.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.156 -0.522 . . . . 0.0 109.816 173.262 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -75.07 136.9 72.66 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 -176.314 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 34.8 Cg_exo -58.56 -31.6 94.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.013 2.476 . . . . 0.0 112.812 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.11 -22.44 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.49 60.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.178 0.513 . . . . 0.0 109.917 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.0 mp -72.75 -46.89 51.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.224 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.273 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.55 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.633 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.44 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.475 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.2 t -70.9 -44.45 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.372 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -61.61 -45.08 95.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 110.644 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.14 -17.24 78.62 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -72.97 -21.9 60.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.79 0.329 . . . . 0.0 110.406 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.78 -16.31 7.85 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.72 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 32.3 m-85 -97.62 -177.16 3.7 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 142.93 49.22 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.22 157.51 46.49 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.22 128.98 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.928 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -67.05 125.49 26.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.282 -179.084 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.278 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -118.98 161.23 20.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.232 0.539 . . . . 0.0 111.398 -174.406 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -103.44 129.61 50.6 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.108 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.542 HD11 HG11 ' A' ' 18' ' ' VAL . 1.2 tp -74.88 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 165.65 27.79 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.45 -22.67 35.97 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.928 -1.13 . . . . 0.0 111.782 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.53 12.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.24 17.18 3.43 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -162.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 1.6 p -177.2 -164.46 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 17.1 t70 -44.52 -69.37 0.14 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.267 -1.788 . . . . 0.0 115.596 -162.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -41.12 65.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.442 0.639 . . . . 0.0 111.992 -169.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -46.54 54.03 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.387 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.77 47.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.141 0.496 . . . . 0.0 111.132 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 -48.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.425 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -35.7 79.76 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 6' ' ' ILE . 4.7 t -63.66 -44.7 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.82 176.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -62.86 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.883 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.98 -55.24 37.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.291 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.813 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -65.44 -34.83 79.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.161 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 53' ' ' LEU . 11.3 mt -65.49 -45.14 84.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.593 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -73.61 -11.56 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.642 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 15.4 tttt -73.69 -27.49 61.25 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.815 170.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 48.0 t -81.05 129.53 66.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.651 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 14.8 Cg_exo -67.81 141.32 53.74 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.609 2.206 . . . . 0.0 112.114 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.68 -26.3 14.79 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -86.72 107.47 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.149 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -86.71 -38.49 16.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.4 152.54 30.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -138.56 96.47 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 79.94 9.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.4 0.619 . . . . 0.0 110.129 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -80.57 144.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.562 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.92 108.61 14.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.984 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -59.1 -55.61 44.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.74 43.09 1.03 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.498 2.132 . . . . 0.0 113.261 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -167.95 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.228 0.537 . . . . 0.0 110.087 176.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.31 34.52 10.48 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.502 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.09 145.75 28.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.88 92.23 3.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.286 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.3 81.06 6.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.541 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -88.93 146.83 24.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.452 0.644 . . . . 0.0 111.646 -174.593 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.52 80.72 1.38 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.74 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.33 160.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.944 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.874 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -75.21 153.84 86.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 45' ' ' VAL . 19.4 Cg_endo -58.45 -24.13 67.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.837 2.358 . . . . 0.0 113.167 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.732 ' H ' HG13 ' A' ' 45' ' ' VAL . . . -78.31 -11.75 85.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.874 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 175.31 9.03 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.151 0.5 . . . . 0.0 110.781 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -151.04 141.72 14.81 Favored Pre-proline 0 N--CA 1.442 -0.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.116 -176.299 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.9 Cg_exo -60.72 -26.52 83.14 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.798 2.332 . . . . 0.0 113.117 -175.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.53 -27.77 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.775 0.321 . . . . 0.0 110.287 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.47 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.423 0.63 . . . . 0.0 109.915 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -44.58 53.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.222 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.971 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.2 m -57.37 -45.02 84.84 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.769 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -36.5 82.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.44 79.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.737 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 53' ' ' LEU . 35.3 t -70.34 -35.06 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.684 0.278 . . . . 0.0 110.3 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.57 94.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.202 0.525 . . . . 0.0 110.326 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.81 -15.63 80.39 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.067 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -73.66 -10.0 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 111.274 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.11 -4.95 35.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.475 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -115.73 -144.76 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.52 28.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.823 0.344 . . . . 0.0 110.154 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -129.52 129.26 44.29 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -121.23 103.65 9.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.914 0.388 . . . . 0.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.06 109.14 3.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.686 . . . . 0.0 111.064 -178.494 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.271 179.246 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 18.4 p-80 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB3' HD22 ' A' ' 66' ' ' LEU . 1.1 pp -129.81 163.71 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 126.69 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 10' ' ' THR . 2.3 tt -82.48 141.08 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.17 -40.24 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.81 -23.82 71.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.743 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.51 100.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -74.74 -25.82 59.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.775 -176.58 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 158.85 4.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -176.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.76 165.92 11.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.186 -1.37 . . . . 0.0 110.913 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.7 m 80.43 -56.49 0.34 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.988 0.915 . . . . 0.0 109.586 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -47.43 75.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 59.07 1.11 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.09 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.942 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -63.28 -29.49 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.638 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.94 -43.93 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.405 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 4.3 tttm -59.19 -45.7 90.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.869 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.45 -51.3 68.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.644 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.96 79.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.166 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -47.47 75.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.971 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.6 -20.7 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 111.139 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -20.81 60.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.351 174.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -85.1 127.77 62.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.64 143.62 99.61 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.615 2.21 . . . . 0.0 112.206 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.69 -19.8 46.18 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -174.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.62 128.52 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.286 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.71 -51.76 4.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.631 0.253 . . . . 0.0 110.53 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -157.73 158.46 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.787 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.596 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -130.56 122.5 27.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.601 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 4.5 tp -100.53 85.31 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.371 0.605 . . . . 0.0 109.808 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -81.14 130.54 35.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.152 -176.642 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.54 115.41 11.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -65.16 -41.25 51.63 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.27 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 94.6 Cg_exo -45.54 -40.81 18.37 Favored 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 122.143 1.895 . . . . 0.0 113.348 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 -22.33 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.992 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.56 19.32 66.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.303 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.76 147.94 43.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.589 . . . . 0.0 111.841 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -106.16 100.39 9.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.648 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 6.3 tp60 -73.97 90.86 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 109.807 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.82 132.95 39.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.469 0.652 . . . . 0.0 112.037 -171.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.59 83.66 2.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.783 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 156.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.27 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.21 134.93 93.49 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.906 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -39.72 124.3 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.447 2.765 . . . . 0.0 112.095 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.35 -133.58 11.7 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -168.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 m 54.64 104.2 0.01 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.507 0.67 . . . . 0.0 111.78 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 125.63 53.61 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.879 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 29.3 Cg_endo -62.92 -29.99 76.56 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.503 2.136 . . . . 0.0 112.011 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.81 -22.87 66.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.491 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -39.85 59.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.12 0.486 . . . . 0.0 110.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.2 mp -69.66 -49.03 57.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -57.53 -41.71 81.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.526 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.33 79.88 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.27 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.455 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' LEU . 13.9 t -71.39 -44.42 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.19 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.62 89.77 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 -22.97 78.48 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.963 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD12 ' HE1' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -73.32 -20.52 60.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.219 175.325 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.74 -21.44 11.36 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.026 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 60' ' ' LEU . 3.8 m-85 -87.89 130.19 34.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -76.04 131.44 39.51 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 161.95 36.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.26 125.56 24.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -66.66 124.58 23.26 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.085 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 -175.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 12.7 p80 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.717 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.64 172.5 12.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.305 -179.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HG2' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -109.2 146.96 33.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.462 HG21 ' HB2' ' A' ' 9' ' ' MET . 1.3 tp -108.74 155.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 120.721 0.296 . . . . 0.0 110.543 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -137.51 106.51 5.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.344 0.592 . . . . 0.0 110.551 -177.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.08 -31.79 2.75 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.678 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -77.74 125.19 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.781 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -7.62 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -167.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p 179.71 -52.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.02 166.56 3.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 m 73.27 -61.17 0.51 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.334 0.654 . . . . 0.0 111.486 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -47.44 85.61 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 9' ' ' MET . . . -77.57 56.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.567 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.92 -44.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.466 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -58.86 -41.55 87.3 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.528 0.68 . . . . 0.0 109.311 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.06 -47.32 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.188 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -64.94 -35.17 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.579 -179.757 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -52.17 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.074 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.71 92.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.676 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD22 HD23 ' A' ' 53' ' ' LEU . 15.7 mt -65.7 -48.43 72.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.489 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' A' ' 28' ' ' VAL . 25.7 mt-10 -75.45 -11.31 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.752 0.311 . . . . 0.0 111.426 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -73.09 -25.5 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 t -81.34 125.16 79.68 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.15 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 141.18 65.41 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.66 2.24 . . . . 0.0 112.132 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.55 5.51 16.2 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.39 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 23' ' ' GLU . 97.9 t -95.22 148.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.321 . . . . 0.0 110.146 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.04 -37.85 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.81 127.56 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.268 174.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -122.16 83.72 2.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.507 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.4 mt -87.94 77.61 8.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -76.82 117.49 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 98.85 11.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.708 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -59.21 -54.17 58.96 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.996 -173.782 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.6 Cg_exo -69.98 -17.11 36.78 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.145 1.897 . . . . 0.0 112.682 -176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -95.47 -34.83 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.911 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 26.32 33.31 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.758 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -117.36 141.95 47.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.713 0.292 . . . . 0.0 110.938 -179.081 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -115.09 96.16 5.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.83 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 10.3 mm100 -78.53 82.02 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.356 0.598 . . . . 0.0 109.496 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD11 HD13 ' A' ' 22' ' ' LEU . 1.2 mt -95.48 118.07 31.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.149 -175.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.61 2.45 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.686 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -87.1 145.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.633 179.332 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.86 127.91 86.16 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -44.02 115.87 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.264 2.643 . . . . 0.0 112.553 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.75 -38.2 1.15 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -171.6 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.625 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.26 143.01 15.78 Favored Pre-proline 0 C--N 1.316 -0.867 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.306 -178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.1 Cg_exo -61.13 -26.96 83.41 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.502 2.135 . . . . 0.0 112.143 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.81 -33.11 71.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.05 174.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.88 58.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.519 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.785 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -72.79 -45.58 57.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.527 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -59.07 -43.15 91.75 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.268 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.77 84.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.985 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.93 96.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 53' ' ' LEU . 45.2 t -70.67 -40.86 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.26 96.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.61 -16.15 76.29 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.285 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -75.49 1.98 12.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.35 . . . . 0.0 111.23 176.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 6.28 66.21 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.102 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -109.57 -161.1 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -135.89 139.98 43.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.939 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.94 150.66 35.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.642 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 109.32 6.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -55.31 128.77 35.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.466 . . . . 0.0 110.342 -172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.88 165.44 11.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.12 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HG23 ' A' ' 7' ' ' THR . 11.2 ttpt -102.28 124.85 48.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -98.51 134.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.383 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.38 -35.92 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.632 -174.132 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.13 67.24 2.77 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.231 176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 85.35 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.813 0.845 . . . . 0.0 110.778 175.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.509 ' OG1' ' HA2' ' A' ' 38' ' ' GLY . 4.9 t -84.57 -20.6 31.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.67 161.18 2.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.455 -179.391 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.58 160.38 9.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.975 -176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m 78.89 -52.67 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.818 0.847 . . . . 0.0 109.908 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -43.56 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.77 54.63 0.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.409 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.31 -43.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.109 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -64.24 -45.74 86.84 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.531 0.682 . . . . 0.0 109.379 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.42 -40.74 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.615 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -62.33 -39.78 94.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.304 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -51.34 68.27 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.209 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.04 -38.17 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 42' ' ' LEU . 10.7 mt -66.03 -44.68 83.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.11 -16.44 60.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.707 0.289 . . . . 0.0 111.193 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -10.29 59.28 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.946 0.403 . . . . 0.0 110.516 173.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 81.3 t -82.14 126.06 75.54 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.8 Cg_exo -66.84 127.58 17.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.663 2.242 . . . . 0.0 111.724 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.37 27.38 5.85 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 44' ' ' ILE . 83.8 t -142.08 120.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -90.0 -46.05 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.785 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 143.96 20.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.901 0.382 . . . . 0.0 111.575 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.62 87.84 2.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.516 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.8 74.24 9.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.156 0.503 . . . . 0.0 110.93 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.701 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.32 120.89 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 110.45 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -63.1 -44.83 85.41 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.632 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.552 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 77.3 Cg_endo -76.76 14.78 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.753 1.635 . . . . 0.0 112.582 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -133.43 -28.66 1.45 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.912 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.509 ' HA2' ' OG1' ' A' ' 10' ' ' THR . . . 82.01 20.55 62.85 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.924 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 146.95 51.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 0.0 111.322 -174.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.701 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -107.83 105.51 15.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.346 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -78.99 90.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.801 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -100.06 112.57 24.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.615 0.721 . . . . 0.0 111.748 -174.818 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.97 75.41 10.13 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 21.8 pt -93.52 155.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.685 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.85 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -72.22 148.83 91.49 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.21 -177.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.85 ' HD2' HG22 ' A' ' 45' ' ' VAL . 55.5 Cg_endo -71.31 52.3 1.51 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.106 2.537 . . . . 0.0 113.1 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.77 -31.21 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 118.29 19.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.06 0.457 . . . . 0.0 110.758 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 127.21 92.44 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HB2' HD11 ' A' ' 66' ' ' LEU . 91.6 Cg_exo -49.41 -37.09 40.61 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.303 2.668 . . . . 0.0 113.275 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -57.3 -25.89 60.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.48 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.97 58.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.371 0.605 . . . . 0.0 109.733 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -77.12 -45.46 26.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.986 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -47.75 76.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.139 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.7 84.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.154 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.78 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.788 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 53' ' ' LEU . 67.5 t -70.07 -39.09 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.206 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.43 93.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.161 0.505 . . . . 0.0 110.663 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.26 -14.17 80.77 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.31 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.66 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 1.3 tp -74.5 -7.72 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.767 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.7 -7.35 57.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.684 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.66 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 51.5 m-85 -99.4 -161.77 0.9 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 133.27 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.92 163.75 34.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.17 141.91 32.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.058 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.95 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -65.2 114.74 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.606 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.827 -179.483 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.23 132.44 43.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -94.39 124.09 38.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -100.26 116.77 44.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.862 0.839 . . . . 0.0 110.227 -176.129 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -20.43 18.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.806 -170.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.96 -5.77 89.91 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.536 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.568 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.37 148.44 25.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.912 0.387 . . . . 0.0 110.671 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -22.5 3.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.332 172.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 176.52 155.44 0.23 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.937 -172.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 13' ' ' SER . 17.0 p-10 21.72 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 170.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.83 -42.22 71.65 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.239 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.5 -50.63 66.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 0.0 109.959 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.86 46.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.1 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.24 -42.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.797 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -66.04 -31.34 72.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.07 -43.72 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.233 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.009 177.098 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.27 -52.77 63.32 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.49 87.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.808 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -65.14 -41.92 94.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.922 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' HG11 ' A' ' 28' ' ' VAL . 78.8 mt-10 -74.71 -16.55 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.396 . . . . 0.0 111.115 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -19.85 61.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 173.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 23.6 t -84.5 127.91 63.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.1 Cg_exo -66.63 149.59 83.98 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.784 2.323 . . . . 0.0 113.081 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -9.18 41.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.045 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 23' ' ' GLU . 55.4 t -77.7 118.63 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.733 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -99.03 -36.39 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.113 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.62 147.29 25.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.942 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . . . -142.32 98.45 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.644 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -99.8 85.22 3.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.2 -178.198 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -83.6 135.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -114.63 104.69 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.034 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -64.8 -50.64 62.57 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.112 -178.258 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 8.6 Cg_exo -73.19 15.16 0.51 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.135 1.89 . . . . 0.0 112.837 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 17.6 mttt -133.98 -24.99 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.27 36.18 59.95 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.062 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.84 153.12 48.32 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.744 -0.268 . . . . 0.0 110.89 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.8 119.39 28.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 3.5 mp0 -91.97 91.48 7.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD13 HD22 ' A' ' 53' ' ' LEU . 3.4 mt -99.63 132.23 45.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.455 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.65 81.1 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.456 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.95 140.73 15.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.713 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -63.23 146.51 95.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.232 179.05 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' A' ' 45' ' ' VAL . 33.2 Cg_exo -61.36 72.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.063 2.508 . . . . 0.0 111.877 172.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.54 -33.66 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -163.66 0.89 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.156 171.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.62 144.15 16.66 Favored Pre-proline 0 N--CA 1.442 -0.856 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.2 Cg_endo -58.77 -31.11 94.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.363 2.042 . . . . 0.0 112.639 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -26.44 66.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.999 176.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.97 -34.49 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.254 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.747 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -48.25 30.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.376 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -55.06 -47.82 74.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.042 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.84 74.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.456 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.85 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.085 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 53' ' ' LEU . 47.8 t -70.33 -43.32 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.357 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.58 97.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.512 . . . . 0.0 110.4 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.45 -19.4 78.18 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.648 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -12.92 60.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 0.0 111.0 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.88 14.08 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.411 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.91 -164.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 146.96 38.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.18 30.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.285 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.48 119.06 13.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.179 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.56 118.37 13.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.191 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.628 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 121.088 0.47 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -97.68 155.34 17.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -85.71 134.69 33.95 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 9' ' ' MET . 0.3 OUTLIER -100.25 147.02 8.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.289 0.566 . . . . 0.0 110.825 -176.021 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.522 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -144.07 148.49 35.23 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.26 -3.31 56.68 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.954 -1.117 . . . . 0.0 111.659 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.576 ' HG2' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -153.19 146.8 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 17.34 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 p -176.74 -176.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.37 -35.81 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.715 -161.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.39 75.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -175.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -75.9 -31.38 59.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.709 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 46.55 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.532 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.8 -43.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.529 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.05 -42.62 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.29 0.567 . . . . 0.0 109.665 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.73 -38.86 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.704 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -38.34 87.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.059 176.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.43 -55.21 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.239 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -41.52 74.36 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.085 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.86 -46.26 79.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 28' ' ' VAL . 3.7 mt-10 -76.03 -7.09 53.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.543 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -82.63 -3.98 57.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.385 . . . . 0.0 110.479 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.8 t -85.35 127.51 63.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.254 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.72 135.41 38.44 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.514 2.143 . . . . 0.0 112.077 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.84 -6.19 35.09 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -87.64 162.94 2.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -133.62 -49.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.804 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.85 131.14 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.469 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.5 106.14 15.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.627 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 1.1 mt -101.57 79.08 1.91 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 110.32 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.15 103.71 14.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.971 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.612 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.42 -44.62 88.3 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.394 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 45.0 Cg_exo -57.83 -42.24 61.14 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.742 1.628 . . . . 0.0 112.403 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.18 -36.2 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 39.27 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.54 138.34 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.16 96.4 6.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.018 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.17 99.49 11.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.016 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -106.57 114.19 28.15 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.342 0.592 . . . . 0.0 111.633 -173.266 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.96 85.16 7.24 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.669 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.496 ' HB ' ' H ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -92.04 -154.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.785 177.796 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' H ' ' HB ' ' A' ' 44' ' ' ILE . 77.7 t -159.24 133.37 5.18 Favored Pre-proline 0 N--CA 1.465 0.291 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -38.47 104.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.865 3.044 . . . . 0.0 113.299 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.16 -7.78 0.65 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -143.68 101.28 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.738 -0.731 . . . . 0.0 109.03 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 151.71 96.88 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.202 -174.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.675 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.6 Cg_exo -59.55 -28.19 86.83 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.063 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.38 -28.27 68.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.958 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.27 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.906 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.6 mt -72.98 -45.29 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.0 m -57.84 -43.24 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.006 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.37 80.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.122 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.6 89.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.591 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 61.5 t -69.47 -40.77 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.154 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.76 -43.21 99.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.178 0.513 . . . . 0.0 110.015 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.85 -11.92 85.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.481 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.51 -7.59 53.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 175.067 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.01 3.7 51.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.639 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 55.9 m-85 -120.27 -164.42 1.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -133.16 149.51 52.06 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.744 0.306 . . . . 0.0 110.611 -178.266 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.25 166.13 32.73 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.164 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.28 136.94 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.399 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.15 97.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.104 0.478 . . . . 0.0 111.106 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.61 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -110.65 154.9 23.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 124.97 46.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG21 ' OG1' ' A' ' 10' ' ' THR . 1.3 tp -81.38 151.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.136 0.493 . . . . 0.0 110.959 -175.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.89 -30.05 0.82 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.573 176.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.23 45.7 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.93 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.8 150.42 0.09 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.102 0.954 . . . . 0.0 113.265 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.579 ' OG1' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -159.9 -144.64 0.11 Allowed 'General case' 0 N--CA 1.415 -2.197 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 151.426 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 31.9 p 146.4 -119.68 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 126.321 1.849 . . . . 0.0 107.47 166.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -82.43 143.38 31.21 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.498 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 m 71.39 -54.02 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.4 m -59.56 -42.48 92.51 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.32 56.38 1.34 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.34 0.59 . . . . 0.0 110.816 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.18 -39.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.72 -34.58 78.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' CYS . 40.7 t -64.46 -40.96 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.61 174.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.717 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.57 -47.55 85.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.171 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.65 60.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.409 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.2 -12.08 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.46 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -74.31 -27.26 60.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.003 0.43 . . . . 0.0 109.858 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.32 127.01 82.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.945 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 148.99 77.64 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.085 1.857 . . . . 0.0 111.287 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 29.57 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.433 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 44' ' ' ILE . 23.4 t -141.75 160.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.6 mm-40 -131.42 -46.11 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.956 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -155.78 134.04 11.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 111.278 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.92 124.01 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 0.0 110.254 173.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.74 88.71 2.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 109.976 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 135.29 25.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.86 -175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.62 91.92 4.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.748 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -57.48 -55.34 45.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.258 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 13.0 Cg_exo -71.15 -15.58 31.94 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.054 1.836 . . . . 0.0 112.806 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -28.88 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.697 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.49 33.11 20.53 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.33 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.24 150.09 45.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.13 93.45 3.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.529 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 130.91 40.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 3.7 mt -123.73 122.28 37.67 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.888 -173.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.13 75.7 6.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 28' ' ' VAL . 2.0 pt -90.36 165.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.534 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.2 t -75.43 139.84 71.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.944 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 37.8 Cg_exo -61.26 97.14 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.763 2.308 . . . . 0.0 111.823 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.13 -38.42 0.9 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.96 126.71 29.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 0.0 110.836 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.76 131.81 81.42 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.37 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' HD12 ' A' ' 53' ' ' LEU . 20.7 Cg_endo -61.72 -27.35 80.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.493 2.128 . . . . 0.0 112.026 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -21.89 66.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.657 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.2 -37.73 61.05 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 109.843 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.1 mt -73.67 -43.8 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.439 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 m -60.33 -41.16 92.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.455 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.8 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -63.62 -41.31 98.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.446 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 62' ' ' TYR . 62.3 t -69.26 -45.47 79.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.269 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -60.71 -40.72 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.435 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.57 -17.53 75.45 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.604 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.64 -38.41 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.734 0.302 . . . . 0.0 110.785 179.221 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.32 4.41 0.93 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -122.22 168.28 12.2 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.401 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.28 126.35 50.36 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.324 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -142.44 158.11 44.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 137.66 54.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.935 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 144.16 42.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.286 0.565 . . . . 0.0 111.329 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.923 -179.884 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.719 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -115.9 160.16 20.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.924 0.392 . . . . 0.0 110.25 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -116.67 124.02 48.7 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.734 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -89.15 123.97 41.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.368 0.604 . . . . 0.0 109.4 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -28.86 12.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.639 -169.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.5 18.93 46.66 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.658 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.544 ' HB3' HG12 ' A' ' 6' ' ' ILE . 2.8 ttp -160.94 107.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.73 -12.9 15.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.603 0.716 . . . . 0.0 109.63 170.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -64.74 171.88 3.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 177.767 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 10.6 t70 -86.14 -75.2 0.39 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 113.509 -1.678 . . . . 0.0 113.137 -166.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -23.31 63.75 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -168.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.66 -36.0 82.86 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.146 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . . . -76.44 52.07 0.76 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.493 0.664 . . . . 0.0 110.786 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.19 -42.19 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.827 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.92 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -39.44 94.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.822 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -46.39 90.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.38 83.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.034 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.17 -48.36 70.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.581 175.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.16 -17.97 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.705 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -16.12 61.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 79.4 t -81.16 124.87 80.61 Favored Pre-proline 0 N--CA 1.451 -0.406 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.2 Cg_exo -73.87 78.81 2.42 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.751 2.3 . . . . 0.0 112.501 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.31 41.5 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.877 HG22 HG22 ' A' ' 44' ' ' ILE . 14.0 t -144.96 119.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.573 . . . . 0.0 109.688 -170.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -105.39 -31.38 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.332 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.639 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 60.9 m -154.03 149.58 27.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.807 0.336 . . . . 0.0 110.883 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.87 3.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 4.6 mp -99.94 84.61 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.414 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 12.7 t -97.32 118.71 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -101.36 115.71 31.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.753 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -64.76 -55.89 25.36 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.394 -177.374 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HD2' ' A' ' 35' ' ' TYR . 70.6 Cg_endo -73.25 9.17 1.52 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 121.893 1.729 . . . . 0.0 113.585 -171.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.78 -8.15 3.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 110.21 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.69 32.69 79.59 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.111 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.05 50.49 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.227 -0.572 . . . . 0.0 111.354 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -115.9 128.26 55.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.819 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -108.42 105.22 14.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.639 176.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 4' ' ' LEU . 1.1 mt -103.02 127.45 50.26 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.263 0.554 . . . . 0.0 111.395 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 30' ' ' SER . . . -103.02 81.46 1.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.877 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pp -99.93 163.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.412 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -76.08 138.77 68.72 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.146 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 16.6 Cg_exo -69.34 42.64 0.32 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.006 2.471 . . . . 0.0 113.857 -175.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -120.19 -28.91 1.73 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 117.82 24.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.386 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.31 140.07 96.6 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.063 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.54 -32.94 94.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.124 1.883 . . . . 0.0 111.769 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -24.34 64.32 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.0 -35.08 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.239 0.542 . . . . 0.0 109.926 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD22 HD13 ' A' ' 42' ' ' LEU . 1.5 mt -72.95 -41.91 63.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.274 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -42.13 84.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.934 173.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.1 82.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.902 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.56 93.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.31 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.07 -41.08 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.094 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.74 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.271 0.558 . . . . 0.0 110.21 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.06 -18.43 79.16 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.546 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -74.59 -1.85 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 176.251 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 7.37 58.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.934 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 98.0 m-85 -113.45 -175.03 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -131.43 128.08 38.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.496 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.59 161.97 37.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.968 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.38 146.0 37.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.997 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.18 103.17 3.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.129 0.49 . . . . 0.0 110.278 178.695 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.719 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -177.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.05 142.47 49.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 169.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 140.07 45.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.089 0.471 . . . . 0.0 111.661 -173.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.7 119.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -18.47 21.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.059 0.457 . . . . 0.0 110.97 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.34 7.88 47.7 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.957 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.22 160.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.012 0.406 . . . . 0.0 111.769 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.785 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -90.71 -114.81 0.08 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 158.824 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.785 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 146.23 -165.25 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 146.56 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.56 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 16.5 t70 -135.49 -110.33 0.21 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 112.442 -2.163 . . . . 0.0 105.469 155.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 16.28 -76.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 153.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.56 -52.58 59.28 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.863 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 33' ' ' VAL . . . -76.31 53.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.644 0.735 . . . . 0.0 110.545 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.89 -47.59 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.172 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.1 -38.27 75.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.58 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -40.89 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.353 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -59.68 -42.25 92.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.146 176.765 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.42 -51.89 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.461 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.67 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 111.0 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 53' ' ' LEU . 9.7 mt -65.88 -46.01 79.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HA ' HG11 ' A' ' 28' ' ' VAL . 70.0 mt-10 -70.05 -18.03 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.86 -15.15 60.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 173.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 72.7 t -79.38 132.13 63.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.066 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 18.0 Cg_exo -66.48 135.35 38.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.636 2.224 . . . . 0.0 111.871 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.9 -5.64 42.97 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 23' ' ' GLU . 98.1 t -96.53 156.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.58 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.556 0.217 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.1 125.2 7.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.229 -0.295 . . . . 0.0 110.41 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 19' ' ' LYS . . . -106.28 122.5 46.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.823 0.344 . . . . 0.0 110.752 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.08 88.29 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.353 0.597 . . . . 0.0 109.588 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.726 ' HB ' ' HB1' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -84.62 145.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.881 -176.428 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.16 83.02 2.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.72 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -58.02 -43.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.689 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 47.1 Cg_exo -57.14 -33.44 95.86 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.775 1.65 . . . . 0.0 112.549 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -16.57 21.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.999 178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.21 40.7 28.41 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.55 161.5 35.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.711 0.291 . . . . 0.0 110.751 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.27 124.16 25.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.474 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -101.64 99.36 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -103.51 119.76 39.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.063 0.458 . . . . 0.0 111.442 -174.391 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.12 81.73 7.32 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.1 152.86 3.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.459 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -75.43 133.94 73.8 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.299 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.38 116.59 2.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.704 2.269 . . . . 0.0 111.37 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.44 -34.54 2.04 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -81.42 -172.86 4.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -150.3 142.15 15.4 Favored Pre-proline 0 C--N 1.315 -0.892 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.429 -174.266 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_exo -61.01 -27.23 84.42 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -176.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -26.43 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.259 177.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.13 60.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.592 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 22' ' ' LEU . 1.3 mp -80.91 -46.29 15.44 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 109.965 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -52.22 -41.52 62.79 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' VAL . . . -66.03 -51.01 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.586 172.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 21.39 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 92.2 t -143.62 -40.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.069 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.53 -41.02 89.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.547 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.6 -16.07 79.85 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.021 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.54 -13.04 60.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.062 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.68 10.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.732 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.6 m-85 -98.04 166.96 11.18 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -107.77 124.42 50.01 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 142.68 33.52 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.29 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.69 133.4 48.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.008 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.98 107.49 2.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 -174.723 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tmm? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.873 0.368 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 HG21 HD11 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -110.48 56.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.909 0.385 . . . . 0.0 112.015 -176.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.91 114.75 19.58 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.15 165.01 11.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.904 -172.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -109.65 131.23 55.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.791 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.7 141.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -39.1 1.49 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.22 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.35 66.09 2.98 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.627 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 4.4 mmt 85.35 111.65 0.05 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.16 0.984 . . . . 0.0 110.712 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -106.66 -17.19 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.646 -172.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 167.28 0.72 Allowed 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.37 78.35 1.37 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.325 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -169.69 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -67.33 -42.7 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.49 173.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.24 48.56 0.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.449 0.642 . . . . 0.0 110.359 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.22 -49.99 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.756 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -32.45 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.007 173.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.1 -40.52 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.202 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -62.31 -43.0 99.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.946 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -59.43 -53.58 56.52 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.279 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.68 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.016 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -65.38 -51.82 57.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -16.36 60.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.833 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.69 124.63 74.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.76 133.98 38.71 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.25 1.967 . . . . 0.0 111.821 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.88 -11.37 38.01 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 44' ' ' ILE . 98.8 t -95.29 127.54 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.241 -0.479 . . . . 0.0 109.907 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -45.93 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -154.88 134.35 12.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.47 90.03 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 0.0 109.919 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -80.9 78.7 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.279 0.562 . . . . 0.0 110.886 -176.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.4 139.42 17.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.768 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.07 109.16 13.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.245 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.486 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -67.92 -44.15 39.64 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -176.529 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 56.8 Cg_endo -71.13 10.79 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.942 1.761 . . . . 0.0 112.961 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 2.1 mptt -134.45 -32.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.396 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 84.53 26.56 38.65 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.18 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.43 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -116.61 140.13 49.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.101 0.477 . . . . 0.0 111.768 -175.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.53 102.07 9.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.577 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 12.6 mt-30 -90.17 99.92 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 ' HG ' ' A' ' 22' ' ' LEU . 1.8 mt -92.4 119.15 31.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.068 0.461 . . . . 0.0 111.56 -174.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.36 79.62 3.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.163 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -101.3 164.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.968 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -75.31 129.51 82.22 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.4 131.34 22.91 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.654 2.236 . . . . 0.0 111.452 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.34 -36.71 3.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.78 115.41 13.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 110.042 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -64.32 129.25 94.01 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.529 -175.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.464 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 32.2 Cg_exo -59.14 -37.93 89.41 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.579 2.186 . . . . 0.0 112.161 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.33 -21.34 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.413 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.15 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.207 0.527 . . . . 0.0 110.105 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HG21 ' A' ' 44' ' ' ILE . 1.7 mt -72.17 -41.81 66.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.495 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 m -59.11 -41.04 87.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.972 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.63 83.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.711 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.34 94.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' LEU . 98.3 t -69.64 -39.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.931 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.11 -42.51 96.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.82 -17.13 76.59 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.222 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -6.01 46.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.09 -6.02 53.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.038 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 56.0 m-85 -103.82 -178.92 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 128.42 41.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.0 0.428 . . . . 0.0 110.636 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.88 27.66 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.357 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.61 133.74 31.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.562 0.22 . . . . 0.0 110.701 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -70.85 98.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.32 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.53 101.33 3.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.272 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.92 4.92 4.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.428 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.196 -0.907 . . . . 0.0 109.619 176.458 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.678 HG23 ' HG3' ' A' ' 50' ' ' PRO . 2.0 m -144.23 60.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 110.035 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -105.56 120.21 41.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.543 0.687 . . . . 0.0 110.779 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 50' ' ' PRO . 4.6 mt -105.92 155.38 19.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.835 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.73 129.47 44.76 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.17 148.27 5.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.353 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -147.11 159.99 42.95 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.71 -49.08 1.45 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.526 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.565 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtm -153.65 97.22 2.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.506 . . . . 0.0 109.824 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.48 -24.03 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.581 -172.444 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 161.04 3.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -44.12 -51.12 8.26 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -172.367 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -27.6 56.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.791 0.329 . . . . 0.0 111.737 -169.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -83.38 -41.81 17.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.991 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.94 49.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.576 0.703 . . . . 0.0 110.283 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.98 -38.54 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.501 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -65.06 -40.01 94.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.302 170.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.25 -40.54 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.711 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -38.57 88.86 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -49.28 72.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.47 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 60' ' ' LEU . . . -60.08 -40.92 91.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.064 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.87 -45.31 82.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -70.29 -17.89 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.455 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -14.95 61.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.99 0.424 . . . . 0.0 109.974 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 90.6 t -83.53 123.28 76.75 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.1 Cg_exo -79.23 44.71 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.007 2.472 . . . . 0.0 113.232 -174.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.85 -4.33 5.2 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 169.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 44' ' ' ILE . 75.0 t -96.11 126.21 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.409 -0.896 . . . . 0.0 110.993 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -87.81 -43.76 11.61 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 m -160.81 163.48 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.007 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.58 121.68 13.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.913 0.387 . . . . 0.0 111.01 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.53 89.14 3.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.23 0.538 . . . . 0.0 109.901 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.85 119.09 37.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.885 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.02 102.52 13.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.146 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.53 -49.88 85.1 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.109 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 12.3 Cg_exo -71.14 10.63 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.284 1.989 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -8.81 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.949 0.404 . . . . 0.0 110.441 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 60.83 33.09 81.77 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.957 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 142.15 51.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.961 0.41 . . . . 0.0 111.6 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.58 100.36 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.228 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -85.11 93.73 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -94.81 134.86 36.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.214 0.53 . . . . 0.0 111.654 -174.474 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.92 1.74 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.972 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 28' ' ' VAL . 1.6 pt -96.91 160.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.175 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 47' ' ' GLY . 61.7 t -72.11 134.59 82.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.477 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.02 -17.42 19.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.146 2.564 . . . . 0.0 113.588 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -64.63 -30.6 78.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.677 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.82 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 175.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -150.14 141.61 14.98 Favored Pre-proline 0 N--CA 1.442 -0.867 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.144 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.678 ' HG3' HG23 ' A' ' 2' ' ' THR . 37.6 Cg_exo -60.01 -27.57 85.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.9 2.4 . . . . 0.0 112.972 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HA ' HD22 ' A' ' 66' ' ' LEU . 1.5 p30 -66.96 -21.84 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.805 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.75 -40.08 49.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.27 -44.0 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.658 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.476 HG21 HD23 ' A' ' 66' ' ' LEU . 10.1 m -59.96 -41.1 91.21 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.123 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.03 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.868 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.12 90.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.478 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' LEU . 63.4 t -67.85 -41.95 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.86 82.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.595 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.41 -17.14 67.17 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.367 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 178.428 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.69 -6.67 27.88 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.067 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -98.12 -170.04 1.91 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 5.2 tptt -131.07 133.12 45.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.75 0.31 . . . . 0.0 110.182 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.69 155.31 45.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.074 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 116.89 18.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.569 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -75.11 98.99 3.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.374 176.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.06 86.59 1.86 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -80.69 52.64 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.454 0.645 . . . . 0.0 110.811 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.463 177.314 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.477 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -106.59 -124.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.944 -178.15 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.917 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -86.58 156.44 20.05 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.126 -169.304 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD21 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -118.45 -170.83 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.649 176.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -130.23 140.37 50.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 tt -111.52 137.95 42.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.54 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.12 -32.59 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.523 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.16 13.21 58.09 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.72 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -86.63 124.5 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.741 -0.27 . . . . 0.0 110.525 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -13.76 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 0.0 109.745 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 p 177.63 -121.07 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.889 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 15.7 t70 -113.64 -26.18 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.606 -0.437 . . . . 0.0 112.151 -167.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -51.68 68.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.349 0.595 . . . . 0.0 110.516 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -40.89 96.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.158 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . . . -76.45 46.89 0.45 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.137 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.36 -41.62 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.208 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.04 -41.01 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 57' ' ' VAL . 6.0 t -63.86 -42.84 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.328 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -60.38 -44.87 95.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.319 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 1.8 mt-10 -59.1 -50.41 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.25 96.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.17 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.96 -49.43 67.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.12 -11.79 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 111.181 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -74.97 -16.88 60.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.184 170.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.06 124.31 72.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.38 58.11 5.02 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.995 2.463 . . . . 0.0 112.511 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.97 35.39 0.62 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 44' ' ' ILE . 55.3 t -142.57 125.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.746 -0.727 . . . . 0.0 109.716 -170.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -94.49 -42.36 8.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -154.81 119.54 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.11 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -101.84 120.98 41.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.39 71.33 1.33 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.244 0.545 . . . . 0.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.9 t -71.56 114.98 10.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.794 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.11 112.24 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.986 0.422 . . . . 0.0 111.632 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -60.52 -43.3 92.29 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.677 177.288 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 25.9 Cg_endo -61.91 0.83 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 121.974 1.782 . . . . 0.0 113.554 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -24.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.727 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA2' ' SD ' ' A' ' 9' ' ' MET . . . 78.82 19.82 72.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.786 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.77 140.99 48.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 -175.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -97.42 85.36 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.325 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 26.0 mt-30 -75.38 87.39 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.99 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -108.45 125.17 51.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.432 -175.731 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.45 78.59 7.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.681 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.82 153.95 3.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.147 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.01 137.55 69.18 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.233 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.09 123.12 12.72 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.874 2.382 . . . . 0.0 111.82 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.3 -36.85 2.39 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.92 110.44 17.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.96 0.41 . . . . 0.0 110.193 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 5.8 p -74.47 140.79 75.89 Favored Pre-proline 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.603 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 31.7 Cg_exo -59.02 -26.9 83.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 112.328 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.66 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.49 59.56 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.499 0.666 . . . . 0.0 109.856 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.532 HD22 HD21 ' A' ' 4' ' ' LEU . 3.4 mp -72.22 -45.03 61.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.121 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -57.54 -42.86 83.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.897 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.74 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.008 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.68 88.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.97 -37.71 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.052 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.49 -40.04 95.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.396 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.05 -9.63 80.05 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.607 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.31 -13.61 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.94 0.4 . . . . 0.0 111.33 177.682 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.86 -4.25 19.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -118.93 -163.3 0.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 152.6 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 -177.86 6.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.343 0.592 . . . . 0.0 111.642 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.23 -159.1 0.99 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.23 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.04 147.84 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.29 68.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.738 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.81 87.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.916 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.351 176.829 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.955 ' HA ' HD11 ' A' ' 44' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.524 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 52.94 -124.87 2.35 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 124.233 0.958 . . . . 0.0 112.129 176.101 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.524 ' H ' ' HB ' ' A' ' 2' ' ' THR . 18.9 m80 -94.44 135.77 35.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.096 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -138.42 138.65 38.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -80.21 126.6 31.31 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -93.56 143.73 10.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.645 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.59 152.82 45.77 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 -46.75 1.12 Allowed Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.513 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -169.67 141.02 2.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.787 HG21 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.89 -53.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -33.55 -52.25 0.39 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -164.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -172.88 153.13 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.993 0.361 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m 74.12 -52.39 0.69 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.701 . . . . 0.0 112.537 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -52.97 62.01 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.1 51.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.397 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.238 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.01 -33.86 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 167.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.9 -39.22 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.29 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 6.7 tttm -63.83 -38.32 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -50.01 74.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.075 0.464 . . . . 0.0 110.383 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.94 -35.73 81.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 175.496 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.74 -13.98 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.926 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 1.1 ttmm -73.56 -13.57 61.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.287 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.71 122.98 78.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -79.81 48.81 2.98 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.635 2.223 . . . . 0.0 113.449 -173.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.59 10.12 1.45 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 44' ' ' ILE . 42.6 t -96.69 122.51 48.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.245 -174.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -44.35 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.012 0.434 . . . . 0.0 109.872 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -154.73 122.2 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.531 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.38 78.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.241 0.544 . . . . 0.0 110.004 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.4 84.09 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 40' ' ' ALA . 2.1 t -72.29 131.5 34.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -97.78 91.76 5.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.299 0.571 . . . . 0.0 110.167 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.644 ' HD1' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -57.86 -51.38 82.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.442 -178.721 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.644 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 7.2 Cg_exo -74.4 16.62 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.734 2.289 . . . . 0.0 112.919 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.65 -32.08 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.41 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' A' ' 10' ' ' THR . . . 92.29 15.89 51.97 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.234 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 165.62 20.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -125.78 131.67 52.43 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.569 0.224 . . . . 0.0 110.631 177.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.6 91.1 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 4' ' ' LEU . 1.2 mp -101.88 101.71 12.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.34 0.591 . . . . 0.0 110.801 -174.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.12 83.19 4.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.778 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.955 HD11 ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -91.79 167.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.649 177.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.24 146.94 82.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.189 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HD2' HG22 ' A' ' 45' ' ' VAL . 25.5 Cg_endo -61.89 95.84 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.806 2.338 . . . . 0.0 111.928 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.07 -35.85 0.45 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.08 125.58 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.842 0.353 . . . . 0.0 110.552 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 139.22 82.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_endo -65.04 -31.98 54.31 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.19 1.927 . . . . 0.0 111.995 -178.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -67.04 -18.3 65.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.852 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 -37.34 57.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.311 0.577 . . . . 0.0 110.188 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 22' ' ' LEU . 1.1 mp -75.19 -51.87 12.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.921 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -55.35 -45.2 76.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.353 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.19 78.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.07 99.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.744 0.306 . . . . 0.0 110.276 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -73.84 -40.81 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.442 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.1 78.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.341 0.591 . . . . 0.0 110.343 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.18 75.97 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.494 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -74.29 4.48 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.403 . . . . 0.0 111.22 176.011 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.42 24.09 44.79 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.513 ' HE1' ' HB2' ' A' ' 9' ' ' MET . 69.3 m-85 -132.35 -160.16 1.02 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -140.96 152.99 45.41 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 5' ' ' LYS . . . -152.04 154.71 36.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.554 176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.12 126.13 19.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.967 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -72.43 99.1 2.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.332 0.587 . . . . 0.0 111.435 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -95.75 71.09 3.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.612 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -58.34 96.15 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.147 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.72 -176.726 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.744 -0.095 . . . . 0.0 110.744 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.498 ' H ' ' HB3' ' A' ' 1' ' ' MET . 4.4 t -159.53 32.76 0.19 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.463 0.649 . . . . 0.0 111.859 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -124.54 127.14 46.96 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.936 -0.477 . . . . 0.0 110.439 -177.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 66' ' ' LEU . 59.8 mt -120.51 151.38 39.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -111.48 124.18 51.75 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' A' ' 9' ' ' MET . 1.3 tt -89.71 114.43 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.422 0.63 . . . . 0.0 110.349 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -18.96 19.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.505 -174.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.58 -10.14 73.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.649 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.69 ' HB3' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.68 142.78 27.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.74 9.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.693 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 p 176.98 -169.94 0.07 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.797 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.77 -29.04 69.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -55.68 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 111.96 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.54 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.43 45.78 0.4 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 0.0 111.517 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.4 -42.06 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.92 -33.67 76.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 170.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 5.4 t -68.59 -39.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.705 176.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -61.39 -44.77 96.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.62 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.79 -53.28 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.92 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.067 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -65.16 -54.53 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.77 -15.04 63.29 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.725 0.298 . . . . 0.0 111.407 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -24.97 59.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.174 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 42.6 t -81.68 124.88 79.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.6 Cg_exo -77.06 43.58 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.759 2.306 . . . . 0.0 113.12 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 -4.55 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.06 151.43 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.384 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.34 -30.71 1.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.98 0.419 . . . . 0.0 109.988 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.14 101.31 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.965 171.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.12 104.52 15.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.855 0.359 . . . . 0.0 110.559 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -108.83 93.34 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.245 0.545 . . . . 0.0 110.657 -176.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.63 114.27 30.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.129 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -93.5 117.77 30.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -69.59 -49.83 20.57 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -175.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.9 Cg_exo -70.18 9.9 0.61 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.143 1.896 . . . . 0.0 112.744 -176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 5.6 mmtp -134.37 -26.76 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.93 25.48 71.47 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.818 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -117.17 140.46 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.092 0.472 . . . . 0.0 111.315 -175.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.15 112.76 25.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.332 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -99.08 111.04 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -114.63 126.96 55.49 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.638 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.3 77.82 1.83 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 168.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.521 HG13 ' H ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -93.44 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.332 -175.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.593 HG12 ' H ' ' A' ' 47' ' ' GLY . 92.6 t -73.5 141.07 79.46 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.619 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 45' ' ' VAL . 9.2 Cg_endo -52.89 -18.97 10.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.157 2.571 . . . . 0.0 113.683 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -92.17 37.17 3.44 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.41 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.51 125.18 14.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.959 0.409 . . . . 0.0 110.851 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.84 139.99 35.24 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.35 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CB ' HD13 ' A' ' 66' ' ' LEU . 75.0 Cg_exo -56.13 -35.53 95.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 112.671 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.14 67.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.273 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.02 -38.57 52.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.304 0.573 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.7 -43.13 66.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.24 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.9 m -57.73 -42.83 84.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.916 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.15 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.019 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.9 97.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.98 -42.53 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.268 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' HB1' ' HE2' ' A' ' 63' ' ' LYS . . . -63.82 -42.79 97.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.158 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.74 -22.26 79.15 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.588 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -3.63 31.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 111.059 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.4 -6.68 39.22 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.901 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 48.8 m-85 -101.38 -161.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.54 147.08 30.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.97 38.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.667 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.18 139.92 33.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.0 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 4' ' ' LEU . 10.1 tp -75.29 83.94 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.695 0.76 . . . . 0.0 110.603 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.44 66.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.43 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' HA ' ' CB ' ' A' ' 3' ' ' HIS . 5.5 p-10 -81.65 -169.5 2.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.852 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.985 -176.41 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.456 0.17 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.54 60.2 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.745 0.307 . . . . 0.0 111.283 -174.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.402 ' HB3' ' H ' ' A' ' 69' ' ' ALA . 4.9 t60 -147.71 103.51 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.814 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -112.5 135.74 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 167.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 6.8 ttpt -96.96 127.74 43.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.708 0.29 . . . . 0.0 110.39 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 tp -84.37 123.93 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.55 -17.45 6.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.02 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.79 -28.58 68.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.165 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -177.06 122.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.13 -33.59 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -172.219 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.84 157.87 4.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -172.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.643 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -43.34 -57.34 3.07 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 113.502 -1.681 . . . . 0.0 114.436 -172.066 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 -33.2 67.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.403 . . . . 0.0 111.769 -172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -69.4 -49.01 59.27 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' HD1' ' A' ' 35' ' ' TYR . . . -76.56 50.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.41 0.624 . . . . 0.0 110.441 174.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.92 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.025 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -36.31 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 166.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 57' ' ' VAL . 79.8 t -65.03 -45.76 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.17 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.22 88.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.414 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.91 -50.7 65.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . . . -57.34 -42.39 81.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.78 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' HG ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.87 -39.78 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.38 -15.38 61.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 21' ' ' ALA . 5.5 mtpt -73.32 -18.44 61.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 109.854 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 12.5 t -85.64 123.03 73.11 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.49 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.0 Cg_exo -78.98 59.81 7.53 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.065 2.51 . . . . 0.0 112.289 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.61 48.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 44' ' ' ILE . 17.5 t -142.65 123.68 11.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.832 0.349 . . . . 0.0 110.278 -171.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.93 -33.38 11.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.119 0.485 . . . . 0.0 110.181 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -153.81 144.01 22.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.865 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -136.42 75.56 1.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.065 0.46 . . . . 0.0 110.024 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.19 82.21 7.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 110.674 -175.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.73 131.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.358 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.673 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -118.39 90.36 3.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.69 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -55.22 -55.36 40.32 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.609 -174.313 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 32.9 Cg_endo -63.91 -20.64 68.45 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.899 1.733 . . . . 0.0 112.598 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.673 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 4.9 mtpt -95.76 -9.16 32.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.405 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.87 25.93 73.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.129 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.84 149.55 38.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.469 0.652 . . . . 0.0 112.151 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.648 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -130.1 98.7 4.82 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.703 170.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.13 88.94 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.719 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -105.73 114.88 29.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -175.717 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.28 86.74 5.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -82.65 155.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.701 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -76.71 132.28 72.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.433 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -52.26 132.03 42.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.645 2.23 . . . . 0.0 111.684 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.23 -37.42 2.77 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -170.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 178.23 8.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.873 -0.664 . . . . 0.0 109.669 170.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 49.5 m -151.7 143.34 15.92 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HA ' HD12 ' A' ' 53' ' ' LEU . 36.8 Cg_exo -56.9 -31.8 90.38 Favored 'Trans proline' 0 CA--C 1.518 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 112.731 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -31.78 67.26 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.529 0.518 . . . . 0.0 110.235 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -30.86 57.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.4 mt -80.48 -48.45 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.081 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 m -54.86 -46.78 74.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.936 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.21 84.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.033 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -60.99 -40.06 92.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.564 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.9 t -74.23 -40.87 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.21 92.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.392 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.99 -12.53 84.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.607 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -78.36 -0.6 29.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.6 -8.06 59.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.7 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.408 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 53.0 m-85 -101.85 -152.85 0.44 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -155.66 141.39 17.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.88 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.08 154.73 45.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.69 114.13 7.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.256 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -62.77 145.49 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.21 23.16 2.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.772 0.32 . . . . 0.0 110.282 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 31.42 87.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 125.172 1.545 . . . . 0.0 114.09 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 3' ' ' HIS . . . . . . . . 0 C--N 1.317 -0.832 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HG2' ' HG3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.78 26.78 2.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.748 0.309 . . . . 0.0 111.545 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.751 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . 5.2 t60 -152.52 100.69 2.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 0.0 111.835 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt -117.65 152.77 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -112.76 136.71 52.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' MET . 3.6 tt -89.82 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.73 -26.36 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 0.0 111.447 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.28 74.76 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.208 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -171.85 -172.65 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 t -155.72 -41.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.86 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.21 -124.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -109.4 -82.27 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 120.821 -1.174 . . . . 0.0 113.179 -162.018 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.79 63.17 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.681 0.393 . . . . 0.0 111.955 -172.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -54.85 29.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.206 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.54 49.65 0.62 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.38 0.609 . . . . 0.0 110.729 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.87 -41.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -70.54 -35.8 73.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.19 -37.52 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.831 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tttm -64.25 -39.52 94.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.995 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.78 -53.71 54.73 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.08 0.467 . . . . 0.0 110.107 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -60.6 -37.08 80.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.251 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -47.67 75.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.87 -15.71 62.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.654 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.33 -25.82 59.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.114 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 55.1 t -71.37 123.79 89.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.928 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 24.1 Cg_exo -64.27 132.62 34.51 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.38 2.053 . . . . 0.0 111.65 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.09 -18.72 23.52 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 44' ' ' ILE . 69.1 t -95.31 121.79 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.069 -0.565 . . . . 0.0 110.167 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.54 -44.6 7.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 0.0 110.732 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.42 136.5 15.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.169 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -114.58 109.29 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.155 0.502 . . . . 0.0 110.516 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.98 73.97 2.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.625 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.43 116.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.08 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.51 83.03 4.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.477 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.86 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -54.77 -50.19 87.28 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.068 -174.048 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 41.9 Cg_endo -68.15 9.97 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.007 1.804 . . . . 0.0 113.617 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -133.35 -5.86 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.714 0.293 . . . . 0.0 110.36 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.88 23.09 70.79 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.689 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 144.78 40.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.537 . . . . 0.0 111.612 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.47 101.61 9.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.186 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.19 129.79 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.21 128.79 38.69 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.972 -174.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.94 82.29 2.97 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.623 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -100.29 170.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.201 -176.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.448 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 74.8 t -74.56 122.25 87.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.027 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 45' ' ' VAL . 9.8 Cg_endo -53.51 103.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.104 2.536 . . . . 0.0 111.915 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.26 -31.94 1.4 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.311 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -71.61 118.77 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.75 138.98 88.28 Favored Pre-proline 0 N--CA 1.442 -0.826 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.475 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 26.8 Cg_endo -62.04 -19.15 65.21 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.528 2.152 . . . . 0.0 112.191 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.74 74.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.083 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.5 60.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG21 ' A' ' 44' ' ' ILE . 1.2 mp -72.71 -45.16 60.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.493 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 93.6 m -57.55 -42.88 83.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.924 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.92 79.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.95 94.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.9 t -68.67 -34.89 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.872 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -48.14 74.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.251 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.21 -13.03 73.01 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.331 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.27 -10.76 59.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.006 0.432 . . . . 0.0 110.618 174.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.01 10.64 45.33 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.37 -150.78 0.46 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -155.28 135.84 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -119.72 166.73 12.84 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.71 122.55 21.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.51 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.96 122.74 24.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.0 110.288 178.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.86 64.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.943 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.751 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 29.7 t70 -54.87 146.64 16.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.866 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.005 -178.544 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.819 0.342 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER 59.02 65.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 175.297 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.874 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 1.2 m-70 -123.86 96.2 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 167.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 HD22 ' A' ' 42' ' ' LEU . 1.8 mm? -82.37 122.35 27.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.442 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 138.05 32.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 tp -98.41 140.36 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.183 0.516 . . . . 0.0 110.541 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.01 -9.44 2.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.659 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -82.48 55.7 4.98 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtm 78.18 124.3 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 124.777 0.928 . . . . 0.0 109.954 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.615 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -88.45 -21.64 24.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.292 -171.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 159.38 4.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.5 p-10 -52.69 -58.28 7.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.649 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -45.81 64.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.77 -49.81 42.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.79 49.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 111.124 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.59 -41.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -68.56 -36.48 78.85 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 109.387 171.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.19 -39.81 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.066 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -61.63 -38.11 86.45 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.992 176.166 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 35.8 mt-10 -60.66 -52.24 65.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 60' ' ' LEU . . . -62.7 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 110.943 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 42' ' ' LEU . 33.8 mt -66.51 -52.57 44.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.475 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 4.6 mt-10 -72.91 -11.53 60.62 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.407 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -73.74 -23.89 59.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -73.07 123.05 89.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.15 44.14 1.66 Allowed 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.574 2.182 . . . . 0.0 113.486 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.02 1.8 5.07 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.44 HG22 HG22 ' A' ' 44' ' ' ILE . 77.5 t -96.44 134.2 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.686 -0.757 . . . . 0.0 110.666 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -44.63 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 m -156.14 126.96 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.461 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.2 100.25 9.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.924 0.392 . . . . 0.0 109.956 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mt -100.08 84.31 2.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.084 0.469 . . . . 0.0 110.646 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -79.46 136.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.16 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.56 96.55 5.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.533 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -56.98 -51.96 77.71 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 35.2 Cg_endo -66.09 -20.86 56.64 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.799 1.666 . . . . 0.0 112.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.38 -19.59 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.642 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 70.12 27.75 72.53 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.407 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.23 146.78 51.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 111.565 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -115.69 108.77 16.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.539 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -79.34 80.37 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 53' ' ' LEU . 1.5 mp -86.93 103.28 15.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.868 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.11 79.4 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.483 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG13 ' HB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -89.87 157.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.44 133.57 91.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.202 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.25 111.94 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.211 2.607 . . . . 0.0 112.394 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.02 -36.97 1.91 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.566 ' HB ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -77.18 109.81 11.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 175.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.52 130.55 90.54 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.33 -176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.816 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.1 Cg_exo -56.08 -30.08 77.29 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.744 2.296 . . . . 0.0 112.572 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.15 -27.3 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 110.446 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.98 -33.11 59.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.452 0.644 . . . . 0.0 110.016 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.2 mt -75.1 -41.72 58.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.12 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -58.28 -44.39 88.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.114 173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.652 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.31 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.757 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.3 t -72.4 -38.65 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.386 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.89 87.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 110.25 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.2 -13.51 82.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.495 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.72 -7.88 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.061 0.458 . . . . 0.0 110.612 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.62 10.25 50.76 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.557 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.708 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 57.0 m-85 -119.89 -154.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.41 135.61 21.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.828 0.347 . . . . 0.0 111.185 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.12 163.19 37.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.543 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.37 141.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.793 0.33 . . . . 0.0 111.164 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.77 104.28 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.305 177.306 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.54 80.19 1.39 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.416 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.874 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -76.87 144.74 38.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.493 175.378 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.445 ' HB3' ' H ' ' A' ' 2' ' ' THR . 1.7 mpp? . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -96.1 6.33 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.123 0.487 . . . . 0.0 111.543 -177.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.871 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m170 -124.08 135.88 53.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -135.98 174.04 11.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -119.16 135.78 54.5 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.935 0.398 . . . . 0.0 110.83 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.94 134.8 34.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -14.71 3.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -72.58 -27.42 69.43 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.461 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.468 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -178.25 128.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -115.46 -59.25 2.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -34.12 -55.11 0.5 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 -164.287 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.26 172.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.594 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m 70.44 -67.01 0.26 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.641 0.588 . . . . 0.0 111.398 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.23 -49.39 77.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.04 50.79 0.62 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.324 0.583 . . . . 0.0 110.806 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.09 -43.92 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.07 -34.41 76.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 169.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.33 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.244 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -62.33 -39.42 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.907 175.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.83 -52.05 67.09 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 24' ' ' LYS . . . -59.66 -37.99 80.22 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.116 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 53' ' ' LEU . 29.9 mt -64.56 -47.79 77.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.21 -6.64 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 3.4 tttt -73.78 -28.28 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.89 131.41 79.19 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.12 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.71 146.2 78.01 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.333 2.022 . . . . 0.0 112.408 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 97.47 -13.74 63.99 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -175.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' A' ' 44' ' ' ILE . 51.2 t -95.04 112.55 27.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 1.6 tt0 -87.06 -54.32 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.819 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m -154.15 116.36 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -96.55 111.98 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -104.09 93.33 4.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.74 127.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 m -94.81 101.6 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.678 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.91 -55.77 40.21 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 14.49 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.839 1.693 . . . . 0.0 113.005 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -133.25 -10.34 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.06 16.84 64.88 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.421 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.61 135.76 45.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.938 0.399 . . . . 0.0 111.441 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.02 104.04 12.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.5 80.02 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.653 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.31 127.09 39.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -176.002 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 29' ' ' GLN . . . -84.33 81.55 8.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -92.52 149.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.38 177.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 27' ' ' GLY . 1.5 t -74.97 136.47 73.28 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HG12 ' A' ' 45' ' ' VAL . 9.3 Cg_endo -52.67 -11.78 1.48 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.869 3.046 . . . . 0.0 114.856 -174.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.23 -23.1 78.17 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.46 177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -85.5 -172.59 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.753 0.311 . . . . 0.0 110.682 178.263 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.25 136.24 10.28 Favored Pre-proline 0 N--CA 1.439 -1.021 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.584 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.797 ' HB2' HD11 ' A' ' 66' ' ' LEU . 75.9 Cg_exo -54.25 -30.08 60.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.476 2.784 . . . . 0.0 113.501 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.01 -32.37 67.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.541 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.4 60.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.203 0.525 . . . . 0.0 110.308 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.662 HD23 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.17 -46.35 42.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.784 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -57.88 -43.86 86.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.301 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.08 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.15 92.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.682 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.4 t -70.8 -39.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.394 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.53 -44.35 91.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 -13.61 79.57 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.494 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.66 -3.48 31.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.647 174.431 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.54 3.0 59.89 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.858 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 61.1 m-85 -116.93 -175.64 2.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' H ' ' HA3' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -116.4 142.08 47.32 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.734 0.302 . . . . 0.0 110.97 -178.139 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.61 153.12 39.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.88 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.75 138.93 43.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.457 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -70.23 108.07 4.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.346 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -153.16 107.83 3.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.871 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 6.4 m-20 -67.48 -42.58 82.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.339 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.721 178.28 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 4.48 5.03 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.776 ' HB2' ' HA ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -133.48 151.52 51.78 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.021 174.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 4' ' ' LEU . 2.8 mm? -104.5 154.9 19.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.411 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -112.16 123.44 50.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -86.64 140.29 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.478 -176.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.86 -39.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.68 73.05 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.083 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -173.04 125.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -50.26 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -165.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -59.15 -120.65 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -169.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 41.0 t0 -104.22 169.75 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.777 -0.577 . . . . 0.0 109.93 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 71.23 -55.66 0.65 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.546 0.739 . . . . 0.0 110.922 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.9 -52.91 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 176.474 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.86 49.04 0.51 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.219 0.533 . . . . 0.0 110.748 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.06 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.234 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -62.43 -35.79 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.355 0.598 . . . . 0.0 109.668 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 57' ' ' VAL . 31.1 t -67.22 -39.32 82.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.693 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -62.91 -40.51 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.914 177.041 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -65.18 -44.53 88.15 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.43 -43.79 93.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.386 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.59 -42.91 91.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.555 177.34 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.31 -27.53 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 111.05 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -18.34 60.67 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ALA . 28.0 t -85.88 127.77 60.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 33.1 Cg_exo -61.57 144.03 97.38 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.654 2.236 . . . . 0.0 112.636 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 91.8 -3.08 77.49 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG22 HG22 ' A' ' 44' ' ' ILE . 54.3 t -95.21 99.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -45.33 38.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.427 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.79 160.62 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -128.97 148.02 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.978 0.418 . . . . 0.0 110.928 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -132.0 85.85 2.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.823 178.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.42 131.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.66 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.29 106.63 14.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.105 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.671 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -63.86 -49.12 77.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.317 -176.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 60.1 Cg_endo -72.24 15.64 0.4 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.219 1.946 . . . . 0.0 113.177 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -134.41 -39.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.9 0.381 . . . . 0.0 110.362 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.87 20.77 38.55 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.589 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.06 129.86 45.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 111.272 -177.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.2 78.96 1.16 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.951 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 3.4 mt-30 -78.3 151.07 33.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.49 142.48 23.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.322 0.582 . . . . 0.0 111.77 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.15 80.3 1.83 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.01 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 28' ' ' VAL . 2.2 pt -93.35 -165.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.521 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.815 HG12 ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -159.59 148.74 14.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HD2' HG12 ' A' ' 45' ' ' VAL . 3.7 Cg_exo -39.99 118.66 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.956 3.104 . . . . 0.0 112.793 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.67 -42.17 1.39 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.04 95.16 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.519 0.676 . . . . 0.0 109.852 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -64.27 139.04 97.61 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.239 -177.089 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 32.2 Cg_exo -58.68 -34.46 98.93 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.295 1.997 . . . . 0.0 112.14 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.34 58.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.398 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -71.54 -52.98 15.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.558 0.694 . . . . 0.0 109.419 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -56.29 -44.14 79.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.318 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.36 77.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.245 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.822 0.344 . . . . 0.0 110.457 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.8 t -74.88 -40.63 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.174 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.92 95.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.96 81.31 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.285 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.89 -0.29 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.775 174.247 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.93 2.5 69.11 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.759 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.94 -165.43 1.02 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 19.4 tptm -144.95 127.49 16.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.866 0.365 . . . . 0.0 110.322 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB2' HG11 ' A' ' 57' ' ' VAL . . . -137.39 165.45 26.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.964 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.96 142.38 44.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.648 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.23 103.38 5.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 0.0 110.036 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.13 110.74 2.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.598 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -79.35 -165.41 0.77 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.462 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.263 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.54 0.21 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.52 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -81.91 99.31 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.24 0.543 . . . . 0.0 111.594 -174.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.54 120.67 42.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 177.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.752 ' HG ' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -135.66 149.57 49.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.752 0.311 . . . . 0.0 110.313 176.181 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 137.75 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.398 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mm -95.92 141.44 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.876 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.23 137.34 32.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.132 -176.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.79 -48.26 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.729 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.525 ' HG2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.97 97.58 1.82 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -97.67 -14.99 20.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.111 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 158.02 3.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -48.21 -49.53 32.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.011 -0.995 . . . . 0.0 113.555 -170.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -48.68 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 111.696 -176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' SG ' ' HG2' ' A' ' 9' ' ' MET . 1.7 m -73.47 -40.04 64.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.18 43.07 0.28 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.462 0.648 . . . . 0.0 110.944 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.32 -33.41 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.935 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -33.33 75.6 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 57' ' ' VAL . 54.7 t -62.69 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.531 172.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.723 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 10.9 ttpp -63.61 -38.7 92.12 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.038 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.02 -48.29 82.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 0.0 110.452 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.05 96.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.867 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -66.23 -35.25 79.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 177.194 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' HG11 ' A' ' 28' ' ' VAL . 11.8 mt-10 -70.07 -22.47 63.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.108 0.48 . . . . 0.0 110.409 177.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -18.93 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.944 174.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -83.53 123.31 76.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.14 44.2 1.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.458 2.105 . . . . 0.0 113.122 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.65 20.02 2.57 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -95.08 156.28 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.682 -0.759 . . . . 0.0 111.28 -174.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 6.2 mt-30 -134.31 -43.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 16.5 m -153.5 155.39 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.623 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.723 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -152.58 83.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.033 0.444 . . . . 0.0 110.682 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -91.42 77.72 5.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.194 0.521 . . . . 0.0 111.087 -176.684 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.3 t -80.59 110.09 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.982 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.86 122.62 44.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 111.607 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -68.43 -43.37 31.67 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.216 177.576 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.54 8.97 0.46 Allowed 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.259 1.973 . . . . 0.0 113.038 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -34.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.002 0.429 . . . . 0.0 110.27 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 19.28 59.12 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.439 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 p -116.67 127.69 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 111.329 -173.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -90.14 103.25 15.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.93 82.49 8.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.359 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.26 150.34 20.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.443 0.639 . . . . 0.0 111.135 -176.175 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -132.32 79.16 1.84 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.245 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.607 HD13 ' HB ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -90.64 165.56 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.217 175.79 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.97 138.87 82.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.39 100.34 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.098 2.532 . . . . 0.0 111.841 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.85 -27.73 0.59 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.607 ' HB ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -82.06 124.86 30.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.156 -0.522 . . . . 0.0 109.816 173.262 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -75.07 136.9 72.66 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 -176.314 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 34.8 Cg_exo -58.56 -31.6 94.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.013 2.476 . . . . 0.0 112.812 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.11 -22.44 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.49 60.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.178 0.513 . . . . 0.0 109.917 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.0 mp -72.75 -46.89 51.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.224 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.273 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.55 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.633 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.44 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.475 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.2 t -70.9 -44.45 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.372 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -61.61 -45.08 95.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 110.644 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.14 -17.24 78.62 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -72.97 -21.9 60.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.79 0.329 . . . . 0.0 110.406 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.78 -16.31 7.85 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.72 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 32.3 m-85 -97.62 -177.16 3.7 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 142.93 49.22 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.22 157.51 46.49 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.22 128.98 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.928 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -67.05 125.49 26.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.282 -179.084 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.1 67.57 1.24 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.05 134.56 49.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.243 -173.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.821 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.537 -178.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.479 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -98.98 17.9 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -175.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 7.7 m-70 -123.35 141.67 51.75 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -118.98 161.23 20.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.232 0.539 . . . . 0.0 111.398 -174.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HG3' ' OXT' ' A' ' 69' ' ' ALA . 1.7 ttmm -103.44 129.61 50.6 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.108 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.542 HD11 HG11 ' A' ' 18' ' ' VAL . 1.2 tp -74.88 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 165.65 27.79 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.45 -22.67 35.97 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.928 -1.13 . . . . 0.0 111.782 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.53 12.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.24 17.18 3.43 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -162.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 1.6 p -177.2 -164.46 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 17.1 t70 -44.52 -69.37 0.14 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.267 -1.788 . . . . 0.0 115.596 -162.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -41.12 65.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.442 0.639 . . . . 0.0 111.992 -169.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -46.54 54.03 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.387 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.77 47.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.141 0.496 . . . . 0.0 111.132 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 -48.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.425 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -35.7 79.76 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 6' ' ' ILE . 4.7 t -63.66 -44.7 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.82 176.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -62.86 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.883 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.98 -55.24 37.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.291 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.813 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -65.44 -34.83 79.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.161 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 53' ' ' LEU . 11.3 mt -65.49 -45.14 84.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.593 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -73.61 -11.56 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.642 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 15.4 tttt -73.69 -27.49 61.25 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.815 170.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 48.0 t -81.05 129.53 66.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.651 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 14.8 Cg_exo -67.81 141.32 53.74 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.609 2.206 . . . . 0.0 112.114 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.68 -26.3 14.79 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -86.72 107.47 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.149 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -86.71 -38.49 16.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.4 152.54 30.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -138.56 96.47 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 79.94 9.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.4 0.619 . . . . 0.0 110.129 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -80.57 144.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.562 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.92 108.61 14.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.984 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -59.1 -55.61 44.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.74 43.09 1.03 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.498 2.132 . . . . 0.0 113.261 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -167.95 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.228 0.537 . . . . 0.0 110.087 176.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.31 34.52 10.48 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.502 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.831 HG23 ' HA ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -101.09 145.75 28.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -177.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.88 92.23 3.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.286 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.3 81.06 6.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.541 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -88.93 146.83 24.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.452 0.644 . . . . 0.0 111.646 -174.593 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.52 80.72 1.38 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.74 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.33 160.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.944 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.874 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -75.21 153.84 86.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 45' ' ' VAL . 19.4 Cg_endo -58.45 -24.13 67.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.837 2.358 . . . . 0.0 113.167 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.732 ' H ' HG13 ' A' ' 45' ' ' VAL . . . -78.31 -11.75 85.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.874 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 175.31 9.03 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.151 0.5 . . . . 0.0 110.781 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -151.04 141.72 14.81 Favored Pre-proline 0 N--CA 1.442 -0.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.116 -176.299 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.9 Cg_exo -60.72 -26.52 83.14 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.798 2.332 . . . . 0.0 113.117 -175.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.53 -27.77 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.775 0.321 . . . . 0.0 110.287 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.47 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.423 0.63 . . . . 0.0 109.915 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -44.58 53.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.222 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.971 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.2 m -57.37 -45.02 84.84 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.769 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -36.5 82.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.44 79.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.737 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 53' ' ' LEU . 35.3 t -70.34 -35.06 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.684 0.278 . . . . 0.0 110.3 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.57 94.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.202 0.525 . . . . 0.0 110.326 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.81 -15.63 80.39 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.067 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -73.66 -10.0 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 111.274 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.11 -4.95 35.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.475 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -115.73 -144.76 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.52 28.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.823 0.344 . . . . 0.0 110.154 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -129.52 129.26 44.29 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -121.23 103.65 9.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.914 0.388 . . . . 0.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.06 109.14 3.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.686 . . . . 0.0 111.064 -178.494 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.62 14.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.271 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 0.1 OUTLIER 50.01 92.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.494 -177.754 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.831 ' HA ' HG23 ' A' ' 39' ' ' THR . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.703 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.494 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -144.5 -149.21 0.26 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.894 -175.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' H ' ' HB ' ' A' ' 2' ' ' THR . 18.4 p-80 -84.47 164.79 18.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB3' HD22 ' A' ' 66' ' ' LEU . 1.1 pp -129.81 163.71 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 126.69 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 10' ' ' THR . 2.3 tt -82.48 141.08 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.17 -40.24 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.81 -23.82 71.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.743 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.51 100.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -74.74 -25.82 59.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.775 -176.58 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 158.85 4.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -176.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.76 165.92 11.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.186 -1.37 . . . . 0.0 110.913 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.7 m 80.43 -56.49 0.34 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.988 0.915 . . . . 0.0 109.586 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -47.43 75.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 59.07 1.11 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.09 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.942 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -63.28 -29.49 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.638 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.94 -43.93 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.405 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 4.3 tttm -59.19 -45.7 90.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.869 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.45 -51.3 68.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.644 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.96 79.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.166 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -47.47 75.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.971 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.6 -20.7 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 111.139 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -20.81 60.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.351 174.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -85.1 127.77 62.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.64 143.62 99.61 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.615 2.21 . . . . 0.0 112.206 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.69 -19.8 46.18 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -174.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.62 128.52 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.286 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.71 -51.76 4.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.631 0.253 . . . . 0.0 110.53 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -157.73 158.46 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.787 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.596 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -130.56 122.5 27.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.601 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 4.5 tp -100.53 85.31 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.371 0.605 . . . . 0.0 109.808 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -81.14 130.54 35.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.152 -176.642 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.54 115.41 11.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -65.16 -41.25 51.63 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.27 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 94.6 Cg_exo -45.54 -40.81 18.37 Favored 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 122.143 1.895 . . . . 0.0 113.348 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 -22.33 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.992 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.56 19.32 66.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.303 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.76 147.94 43.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.589 . . . . 0.0 111.841 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -106.16 100.39 9.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.648 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 6.3 tp60 -73.97 90.86 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 109.807 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.82 132.95 39.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.469 0.652 . . . . 0.0 112.037 -171.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.59 83.66 2.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.783 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.65 156.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.27 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.21 134.93 93.49 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.906 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -39.72 124.3 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.447 2.765 . . . . 0.0 112.095 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.35 -133.58 11.7 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -168.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 m 54.64 104.2 0.01 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.507 0.67 . . . . 0.0 111.78 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 125.63 53.61 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.879 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 29.3 Cg_endo -62.92 -29.99 76.56 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.503 2.136 . . . . 0.0 112.011 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.81 -22.87 66.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.491 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -39.85 59.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.12 0.486 . . . . 0.0 110.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.2 mp -69.66 -49.03 57.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -57.53 -41.71 81.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.526 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.33 79.88 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.27 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.455 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' LEU . 13.9 t -71.39 -44.42 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.19 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.62 89.77 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 -22.97 78.48 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.963 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD12 ' HE1' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -73.32 -20.52 60.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.219 175.325 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.74 -21.44 11.36 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.026 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 60' ' ' LEU . 3.8 m-85 -87.89 130.19 34.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -76.04 131.44 39.51 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 161.95 36.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.26 125.56 24.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -66.66 124.58 23.26 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.085 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.47 98.93 3.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -33.24 38.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.721 -174.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.256 -178.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.648 0.261 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.0 p -116.32 -122.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 111.256 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 12.7 p80 -76.16 -174.18 2.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.645 -174.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.717 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.64 172.5 12.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.305 -179.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HG2' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -109.2 146.96 33.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG21 ' HB2' ' A' ' 9' ' ' MET . 1.3 tp -108.74 155.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 120.721 0.296 . . . . 0.0 110.543 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -137.51 106.51 5.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.344 0.592 . . . . 0.0 110.551 -177.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.08 -31.79 2.75 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.678 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -77.74 125.19 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.781 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -7.62 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -167.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p 179.71 -52.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.02 166.56 3.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 m 73.27 -61.17 0.51 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.334 0.654 . . . . 0.0 111.486 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -47.44 85.61 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 9' ' ' MET . . . -77.57 56.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.567 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.92 -44.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.466 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -58.86 -41.55 87.3 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.528 0.68 . . . . 0.0 109.311 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.06 -47.32 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.188 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -64.94 -35.17 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.579 -179.757 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -52.17 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.074 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.71 92.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.676 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.785 HD22 HD23 ' A' ' 53' ' ' LEU . 15.7 mt -65.7 -48.43 72.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.489 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' A' ' 28' ' ' VAL . 25.7 mt-10 -75.45 -11.31 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.752 0.311 . . . . 0.0 111.426 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -73.09 -25.5 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 t -81.34 125.16 79.68 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.15 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 141.18 65.41 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.66 2.24 . . . . 0.0 112.132 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.55 5.51 16.2 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.39 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 23' ' ' GLU . 97.9 t -95.22 148.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.321 . . . . 0.0 110.146 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.04 -37.85 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.81 127.56 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.268 174.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -122.16 83.72 2.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.507 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.4 mt -87.94 77.61 8.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -76.82 117.49 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 98.85 11.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.708 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -59.21 -54.17 58.96 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.996 -173.782 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.6 Cg_exo -69.98 -17.11 36.78 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.145 1.897 . . . . 0.0 112.682 -176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -95.47 -34.83 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.911 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 26.32 33.31 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.758 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -117.36 141.95 47.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.713 0.292 . . . . 0.0 110.938 -179.081 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -115.09 96.16 5.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.83 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 10.3 mm100 -78.53 82.02 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.356 0.598 . . . . 0.0 109.496 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD11 HD13 ' A' ' 22' ' ' LEU . 1.2 mt -95.48 118.07 31.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.149 -175.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.61 2.45 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.686 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -87.1 145.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.633 179.332 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.86 127.91 86.16 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -44.02 115.87 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.264 2.643 . . . . 0.0 112.553 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.75 -38.2 1.15 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -171.6 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.625 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.26 143.01 15.78 Favored Pre-proline 0 C--N 1.316 -0.867 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.306 -178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.1 Cg_exo -61.13 -26.96 83.41 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.502 2.135 . . . . 0.0 112.143 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.81 -33.11 71.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.05 174.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.88 58.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.519 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.785 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -72.79 -45.58 57.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.527 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -59.07 -43.15 91.75 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.268 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.77 84.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.985 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.93 96.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 53' ' ' LEU . 45.2 t -70.67 -40.86 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.26 96.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.61 -16.15 76.29 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.285 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -75.49 1.98 12.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.35 . . . . 0.0 111.23 176.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 6.28 66.21 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.102 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -109.57 -161.1 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -135.89 139.98 43.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.939 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.94 150.66 35.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.642 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 109.32 6.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -55.31 128.77 35.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -151.43 109.23 3.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.466 . . . . 0.0 110.342 -172.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -51.01 17.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.678 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.855 -178.301 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.68 151.77 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.7 -174.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -123.87 127.41 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.88 165.44 11.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.12 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HG23 ' A' ' 7' ' ' THR . 11.2 ttpt -102.28 124.85 48.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -98.51 134.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.383 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.38 -35.92 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.632 -174.132 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.13 67.24 2.77 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.231 176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 85.35 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.813 0.845 . . . . 0.0 110.778 175.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.509 ' OG1' ' HA2' ' A' ' 38' ' ' GLY . 4.9 t -84.57 -20.6 31.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.67 161.18 2.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.455 -179.391 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.58 160.38 9.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.975 -176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m 78.89 -52.67 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.818 0.847 . . . . 0.0 109.908 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -43.56 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.77 54.63 0.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.409 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.31 -43.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.109 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -64.24 -45.74 86.84 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.531 0.682 . . . . 0.0 109.379 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.42 -40.74 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.615 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -62.33 -39.78 94.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.304 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -51.34 68.27 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.209 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.04 -38.17 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 42' ' ' LEU . 10.7 mt -66.03 -44.68 83.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.11 -16.44 60.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.707 0.289 . . . . 0.0 111.193 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -10.29 59.28 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.946 0.403 . . . . 0.0 110.516 173.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 81.3 t -82.14 126.06 75.54 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.8 Cg_exo -66.84 127.58 17.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.663 2.242 . . . . 0.0 111.724 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.37 27.38 5.85 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 44' ' ' ILE . 83.8 t -142.08 120.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -90.0 -46.05 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.785 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 143.96 20.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.901 0.382 . . . . 0.0 111.575 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.62 87.84 2.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.516 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.8 74.24 9.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.156 0.503 . . . . 0.0 110.93 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.701 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.32 120.89 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 110.45 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -63.1 -44.83 85.41 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.632 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.552 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 77.3 Cg_endo -76.76 14.78 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.753 1.635 . . . . 0.0 112.582 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -133.43 -28.66 1.45 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.912 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.509 ' HA2' ' OG1' ' A' ' 10' ' ' THR . . . 82.01 20.55 62.85 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.924 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 146.95 51.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 0.0 111.322 -174.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.701 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -107.83 105.51 15.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.346 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -78.99 90.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.801 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -100.06 112.57 24.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.615 0.721 . . . . 0.0 111.748 -174.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.97 75.41 10.13 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 21.8 pt -93.52 155.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.685 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.85 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -72.22 148.83 91.49 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.21 -177.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.85 ' HD2' HG22 ' A' ' 45' ' ' VAL . 55.5 Cg_endo -71.31 52.3 1.51 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.106 2.537 . . . . 0.0 113.1 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.77 -31.21 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 118.29 19.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.06 0.457 . . . . 0.0 110.758 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 127.21 92.44 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HB2' HD11 ' A' ' 66' ' ' LEU . 91.6 Cg_exo -49.41 -37.09 40.61 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.303 2.668 . . . . 0.0 113.275 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -57.3 -25.89 60.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.48 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.97 58.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.371 0.605 . . . . 0.0 109.733 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -77.12 -45.46 26.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.986 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -47.75 76.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.139 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.7 84.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.154 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.78 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.788 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 53' ' ' LEU . 67.5 t -70.07 -39.09 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.206 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.43 93.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.161 0.505 . . . . 0.0 110.663 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.26 -14.17 80.77 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.31 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.66 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 1.3 tp -74.5 -7.72 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.767 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.7 -7.35 57.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.684 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.66 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 51.5 m-85 -99.4 -161.77 0.9 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 133.27 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.92 163.75 34.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.17 141.91 32.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.058 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.95 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -65.2 114.74 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.606 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.69 71.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.827 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 15.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.274 -175.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.059 174.895 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.27 87.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.456 0.646 . . . . 0.0 111.75 -177.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.961 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . 19.8 t60 -105.28 93.45 4.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.23 132.44 43.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -94.39 124.09 38.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -100.26 116.77 44.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.862 0.839 . . . . 0.0 110.227 -176.129 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -20.43 18.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.806 -170.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.96 -5.77 89.91 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.536 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.568 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.37 148.44 25.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.912 0.387 . . . . 0.0 110.671 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -22.5 3.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.332 172.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 176.52 155.44 0.23 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.937 -172.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 13' ' ' SER . 17.0 p-10 21.72 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 170.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.83 -42.22 71.65 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.239 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.5 -50.63 66.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 0.0 109.959 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.86 46.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.1 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.24 -42.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.797 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -66.04 -31.34 72.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.07 -43.72 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.233 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.009 177.098 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.27 -52.77 63.32 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.49 87.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.808 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -65.14 -41.92 94.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.922 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' HG11 ' A' ' 28' ' ' VAL . 78.8 mt-10 -74.71 -16.55 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.396 . . . . 0.0 111.115 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -19.85 61.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 173.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 23.6 t -84.5 127.91 63.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.1 Cg_exo -66.63 149.59 83.98 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.784 2.323 . . . . 0.0 113.081 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -9.18 41.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.045 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 23' ' ' GLU . 55.4 t -77.7 118.63 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.733 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -99.03 -36.39 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.113 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.62 147.29 25.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.942 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . . . -142.32 98.45 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.644 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -99.8 85.22 3.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.2 -178.198 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -83.6 135.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -114.63 104.69 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.034 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -64.8 -50.64 62.57 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.112 -178.258 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 8.6 Cg_exo -73.19 15.16 0.51 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.135 1.89 . . . . 0.0 112.837 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 17.6 mttt -133.98 -24.99 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.27 36.18 59.95 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.062 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.84 153.12 48.32 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.744 -0.268 . . . . 0.0 110.89 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.8 119.39 28.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 3.5 mp0 -91.97 91.48 7.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD13 HD22 ' A' ' 53' ' ' LEU . 3.4 mt -99.63 132.23 45.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.455 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.65 81.1 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.456 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG13 ' H ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.95 140.73 15.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.713 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -63.23 146.51 95.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.232 179.05 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' A' ' 45' ' ' VAL . 33.2 Cg_exo -61.36 72.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.063 2.508 . . . . 0.0 111.877 172.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.54 -33.66 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -163.66 0.89 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.156 171.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.62 144.15 16.66 Favored Pre-proline 0 N--CA 1.442 -0.856 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.2 Cg_endo -58.77 -31.11 94.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.363 2.042 . . . . 0.0 112.639 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -26.44 66.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.999 176.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.97 -34.49 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.254 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.747 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -48.25 30.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.376 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -55.06 -47.82 74.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.042 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.84 74.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.456 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.85 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.085 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 53' ' ' LEU . 47.8 t -70.33 -43.32 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.357 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.58 97.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.512 . . . . 0.0 110.4 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.45 -19.4 78.18 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.648 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -12.92 60.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 0.0 111.0 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.88 14.08 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.411 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.91 -164.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 146.96 38.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.18 30.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.285 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.48 119.06 13.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.179 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.56 118.37 13.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.191 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.45 75.84 1.48 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.961 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -75.03 174.72 8.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.881 -173.186 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.837 -177.759 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.014 0.435 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -68.74 113.45 6.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.421 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.584 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 1.1 p-80 -126.87 102.5 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.088 0.47 . . . . 0.0 109.889 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -97.68 155.34 17.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -85.71 134.69 33.95 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 9' ' ' MET . 0.3 OUTLIER -100.25 147.02 8.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.289 0.566 . . . . 0.0 110.825 -176.021 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -144.07 148.49 35.23 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.26 -3.31 56.68 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.954 -1.117 . . . . 0.0 111.659 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.576 ' HG2' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -153.19 146.8 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 17.34 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 p -176.74 -176.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.37 -35.81 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.715 -161.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.39 75.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -175.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -75.9 -31.38 59.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 46.55 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.532 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.8 -43.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.529 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.05 -42.62 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.29 0.567 . . . . 0.0 109.665 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.73 -38.86 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.704 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -38.34 87.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.059 176.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.43 -55.21 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.239 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -41.52 74.36 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.085 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.86 -46.26 79.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 28' ' ' VAL . 3.7 mt-10 -76.03 -7.09 53.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.543 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -82.63 -3.98 57.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.385 . . . . 0.0 110.479 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.8 t -85.35 127.51 63.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.254 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.72 135.41 38.44 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.514 2.143 . . . . 0.0 112.077 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.84 -6.19 35.09 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -87.64 162.94 2.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -133.62 -49.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.804 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.85 131.14 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.469 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.5 106.14 15.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.627 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 1.1 mt -101.57 79.08 1.91 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 110.32 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.15 103.71 14.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.971 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.612 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.42 -44.62 88.3 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.394 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 45.0 Cg_exo -57.83 -42.24 61.14 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.742 1.628 . . . . 0.0 112.403 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.18 -36.2 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 39.27 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.54 138.34 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.16 96.4 6.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.018 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.17 99.49 11.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.016 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -106.57 114.19 28.15 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.342 0.592 . . . . 0.0 111.633 -173.266 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.96 85.16 7.24 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.669 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.496 ' HB ' ' H ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -92.04 -154.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.785 177.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' H ' ' HB ' ' A' ' 44' ' ' ILE . 77.7 t -159.24 133.37 5.18 Favored Pre-proline 0 N--CA 1.465 0.291 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -38.47 104.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.865 3.044 . . . . 0.0 113.299 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.16 -7.78 0.65 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -143.68 101.28 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.738 -0.731 . . . . 0.0 109.03 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 151.71 96.88 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.202 -174.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.675 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.6 Cg_exo -59.55 -28.19 86.83 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.063 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.38 -28.27 68.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.958 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.27 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.906 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.6 mt -72.98 -45.29 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.0 m -57.84 -43.24 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.006 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.37 80.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.122 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.6 89.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.591 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 61.5 t -69.47 -40.77 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.154 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.76 -43.21 99.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.178 0.513 . . . . 0.0 110.015 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.85 -11.92 85.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.481 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.51 -7.59 53.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 175.067 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.01 3.7 51.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.639 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 55.9 m-85 -120.27 -164.42 1.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -133.16 149.51 52.06 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.744 0.306 . . . . 0.0 110.611 -178.266 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.25 166.13 32.73 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.164 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.28 136.94 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.399 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 68' ' ' ASP . 13.4 tp -68.15 97.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.104 0.478 . . . . 0.0 111.106 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -96.0 37.99 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.61 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.584 ' HA ' ' CD2' ' A' ' 3' ' ' HIS . 7.6 t0 -61.48 -44.73 96.56 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.348 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.473 175.506 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.5 ' H ' ' HB3' ' A' ' 1' ' ' MET . 6.6 m -71.9 113.88 9.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.002 0.429 . . . . 0.0 110.408 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -139.06 163.84 31.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -110.65 154.9 23.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 124.97 46.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG21 ' OG1' ' A' ' 10' ' ' THR . 1.3 tp -81.38 151.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.136 0.493 . . . . 0.0 110.959 -175.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.89 -30.05 0.82 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.573 176.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.23 45.7 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.93 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.8 150.42 0.09 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.102 0.954 . . . . 0.0 113.265 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.579 ' OG1' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -159.9 -144.64 0.11 Allowed 'General case' 0 N--CA 1.415 -2.197 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 151.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 31.9 p 146.4 -119.68 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 126.321 1.849 . . . . 0.0 107.47 166.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -82.43 143.38 31.21 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.498 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 m 71.39 -54.02 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.4 m -59.56 -42.48 92.51 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.32 56.38 1.34 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.34 0.59 . . . . 0.0 110.816 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.18 -39.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.72 -34.58 78.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' CYS . 40.7 t -64.46 -40.96 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.61 174.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.717 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.57 -47.55 85.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.171 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.65 60.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.409 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.2 -12.08 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.46 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -74.31 -27.26 60.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.003 0.43 . . . . 0.0 109.858 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.32 127.01 82.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.945 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 148.99 77.64 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.085 1.857 . . . . 0.0 111.287 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 29.57 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.433 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 44' ' ' ILE . 23.4 t -141.75 160.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.6 mm-40 -131.42 -46.11 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.956 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -155.78 134.04 11.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 111.278 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.92 124.01 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 0.0 110.254 173.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.74 88.71 2.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 109.976 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 135.29 25.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.86 -175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.62 91.92 4.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.748 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -57.48 -55.34 45.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.258 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 13.0 Cg_exo -71.15 -15.58 31.94 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.054 1.836 . . . . 0.0 112.806 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -28.88 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.697 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.49 33.11 20.53 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.33 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.24 150.09 45.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.13 93.45 3.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.529 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 130.91 40.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 3.7 mt -123.73 122.28 37.67 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.888 -173.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.13 75.7 6.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 28' ' ' VAL . 2.0 pt -90.36 165.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.534 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.2 t -75.43 139.84 71.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.944 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 37.8 Cg_exo -61.26 97.14 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.763 2.308 . . . . 0.0 111.823 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.13 -38.42 0.9 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.96 126.71 29.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 0.0 110.836 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.76 131.81 81.42 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.37 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' HD12 ' A' ' 53' ' ' LEU . 20.7 Cg_endo -61.72 -27.35 80.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.493 2.128 . . . . 0.0 112.026 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -21.89 66.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.657 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.2 -37.73 61.05 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 109.843 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.1 mt -73.67 -43.8 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.439 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 m -60.33 -41.16 92.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.455 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.8 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -63.62 -41.31 98.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.446 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 62' ' ' TYR . 62.3 t -69.26 -45.47 79.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.269 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -60.71 -40.72 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.435 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.57 -17.53 75.45 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.604 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.64 -38.41 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.734 0.302 . . . . 0.0 110.785 179.221 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.32 4.41 0.93 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -122.22 168.28 12.2 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.401 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.28 126.35 50.36 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.324 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -142.44 158.11 44.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 137.66 54.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.935 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 144.16 42.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.286 0.565 . . . . 0.0 111.329 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.68 101.41 3.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.923 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -83.29 145.96 28.8 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.408 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 O-C-N 124.253 0.971 . . . . 0.0 111.666 -178.629 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.11 35.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 111.657 -173.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -106.07 118.24 36.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.812 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.719 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -115.9 160.16 20.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.924 0.392 . . . . 0.0 110.25 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -116.67 124.02 48.7 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.734 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -89.15 123.97 41.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.368 0.604 . . . . 0.0 109.4 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -28.86 12.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.639 -169.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.5 18.93 46.66 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.658 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.544 ' HB3' HG12 ' A' ' 6' ' ' ILE . 2.8 ttp -160.94 107.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.73 -12.9 15.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.603 0.716 . . . . 0.0 109.63 170.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -64.74 171.88 3.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 177.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 10.6 t70 -86.14 -75.2 0.39 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 113.509 -1.678 . . . . 0.0 113.137 -166.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -23.31 63.75 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -168.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.66 -36.0 82.86 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.146 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . . . -76.44 52.07 0.76 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.493 0.664 . . . . 0.0 110.786 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.19 -42.19 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.827 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.92 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -39.44 94.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.822 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -46.39 90.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.38 83.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.034 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.17 -48.36 70.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.581 175.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.16 -17.97 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.705 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -16.12 61.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 79.4 t -81.16 124.87 80.61 Favored Pre-proline 0 N--CA 1.451 -0.406 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.2 Cg_exo -73.87 78.81 2.42 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.751 2.3 . . . . 0.0 112.501 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.31 41.5 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.877 HG22 HG22 ' A' ' 44' ' ' ILE . 14.0 t -144.96 119.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.573 . . . . 0.0 109.688 -170.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -105.39 -31.38 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.332 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.639 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 60.9 m -154.03 149.58 27.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.807 0.336 . . . . 0.0 110.883 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.87 3.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 4.6 mp -99.94 84.61 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.414 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 12.7 t -97.32 118.71 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -101.36 115.71 31.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.753 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -64.76 -55.89 25.36 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.394 -177.374 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HD2' ' A' ' 35' ' ' TYR . 70.6 Cg_endo -73.25 9.17 1.52 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 121.893 1.729 . . . . 0.0 113.585 -171.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.78 -8.15 3.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 110.21 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.69 32.69 79.59 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.111 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.05 50.49 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.227 -0.572 . . . . 0.0 111.354 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -115.9 128.26 55.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.819 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -108.42 105.22 14.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.639 176.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 4' ' ' LEU . 1.1 mt -103.02 127.45 50.26 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.263 0.554 . . . . 0.0 111.395 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 30' ' ' SER . . . -103.02 81.46 1.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.877 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pp -99.93 163.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.412 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -76.08 138.77 68.72 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 16.6 Cg_exo -69.34 42.64 0.32 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.006 2.471 . . . . 0.0 113.857 -175.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -120.19 -28.91 1.73 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 117.82 24.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.386 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.31 140.07 96.6 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.063 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.54 -32.94 94.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.124 1.883 . . . . 0.0 111.769 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -24.34 64.32 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.0 -35.08 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.239 0.542 . . . . 0.0 109.926 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD22 HD13 ' A' ' 42' ' ' LEU . 1.5 mt -72.95 -41.91 63.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.274 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -42.13 84.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.934 173.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.1 82.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.902 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.56 93.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.31 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.07 -41.08 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.094 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.74 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.271 0.558 . . . . 0.0 110.21 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.06 -18.43 79.16 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.546 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -74.59 -1.85 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 176.251 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 7.37 58.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.934 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 98.0 m-85 -113.45 -175.03 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -131.43 128.08 38.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.496 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.59 161.97 37.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.968 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.38 146.0 37.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.997 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.18 103.17 3.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.129 0.49 . . . . 0.0 110.278 178.695 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.719 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -93.11 52.82 1.86 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -177.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.79 123.46 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.463 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.97 -178.521 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.635 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 1.4 mtm . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.76 15.88 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.156 0.503 . . . . 0.0 111.111 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 21.7 m-70 -138.62 128.55 25.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.05 142.47 49.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 169.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 140.07 45.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.089 0.471 . . . . 0.0 111.661 -173.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.7 119.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -18.47 21.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.059 0.457 . . . . 0.0 110.97 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.34 7.88 47.7 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.957 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.22 160.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.012 0.406 . . . . 0.0 111.769 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.785 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -90.71 -114.81 0.08 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 158.824 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.785 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 146.23 -165.25 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 146.56 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.56 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 16.5 t70 -135.49 -110.33 0.21 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 112.442 -2.163 . . . . 0.0 105.469 155.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 16.28 -76.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 153.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.56 -52.58 59.28 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.863 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 33' ' ' VAL . . . -76.31 53.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.644 0.735 . . . . 0.0 110.545 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.89 -47.59 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.172 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.1 -38.27 75.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.58 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -40.89 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.353 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -59.68 -42.25 92.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.146 176.765 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.42 -51.89 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.461 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.67 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 111.0 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 53' ' ' LEU . 9.7 mt -65.88 -46.01 79.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HA ' HG11 ' A' ' 28' ' ' VAL . 70.0 mt-10 -70.05 -18.03 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.86 -15.15 60.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 173.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 72.7 t -79.38 132.13 63.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.066 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 18.0 Cg_exo -66.48 135.35 38.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.636 2.224 . . . . 0.0 111.871 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.9 -5.64 42.97 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 23' ' ' GLU . 98.1 t -96.53 156.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.58 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.556 0.217 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.1 125.2 7.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.229 -0.295 . . . . 0.0 110.41 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 19' ' ' LYS . . . -106.28 122.5 46.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.823 0.344 . . . . 0.0 110.752 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.08 88.29 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.353 0.597 . . . . 0.0 109.588 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.726 ' HB ' ' HB1' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -84.62 145.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.881 -176.428 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.16 83.02 2.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.72 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -58.02 -43.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.689 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 47.1 Cg_exo -57.14 -33.44 95.86 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.775 1.65 . . . . 0.0 112.549 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -16.57 21.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.999 178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.21 40.7 28.41 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.55 161.5 35.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.711 0.291 . . . . 0.0 110.751 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.27 124.16 25.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.474 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -101.64 99.36 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -103.51 119.76 39.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.063 0.458 . . . . 0.0 111.442 -174.391 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.12 81.73 7.32 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.1 152.86 3.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.459 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -75.43 133.94 73.8 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.299 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.38 116.59 2.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.704 2.269 . . . . 0.0 111.37 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.44 -34.54 2.04 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -81.42 -172.86 4.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -150.3 142.15 15.4 Favored Pre-proline 0 C--N 1.315 -0.892 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.429 -174.266 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_exo -61.01 -27.23 84.42 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -176.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -26.43 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.259 177.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.13 60.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.592 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 22' ' ' LEU . 1.3 mp -80.91 -46.29 15.44 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 109.965 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -52.22 -41.52 62.79 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' VAL . . . -66.03 -51.01 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.586 172.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 21.39 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 92.2 t -143.62 -40.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.069 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.53 -41.02 89.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.547 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.6 -16.07 79.85 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.021 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.54 -13.04 60.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.062 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.68 10.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.732 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.6 m-85 -98.04 166.96 11.18 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -107.77 124.42 50.01 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 142.68 33.52 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.29 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.69 133.4 48.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.008 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.98 107.49 2.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.85 94.28 2.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.635 ' HB2' ' HG2' ' A' ' 1' ' ' MET . 14.1 t0 -71.44 147.54 47.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.411 -174.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.44 -177.895 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.15 165.01 11.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.904 -172.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -109.65 131.23 55.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.791 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.7 141.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -39.1 1.49 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.22 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.35 66.09 2.98 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.627 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 4.4 mmt 85.35 111.65 0.05 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.16 0.984 . . . . 0.0 110.712 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -106.66 -17.19 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.646 -172.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 167.28 0.72 Allowed 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.37 78.35 1.37 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.325 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -169.69 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -67.33 -42.7 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.49 173.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.24 48.56 0.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.449 0.642 . . . . 0.0 110.359 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.22 -49.99 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.756 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -32.45 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.007 173.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.1 -40.52 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.202 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -62.31 -43.0 99.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.946 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -59.43 -53.58 56.52 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.279 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.68 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.016 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -65.38 -51.82 57.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -16.36 60.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.833 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.69 124.63 74.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.76 133.98 38.71 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.25 1.967 . . . . 0.0 111.821 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.88 -11.37 38.01 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 44' ' ' ILE . 98.8 t -95.29 127.54 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.241 -0.479 . . . . 0.0 109.907 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -45.93 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -154.88 134.35 12.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.47 90.03 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 0.0 109.919 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -80.9 78.7 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.279 0.562 . . . . 0.0 110.886 -176.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.4 139.42 17.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.768 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.07 109.16 13.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.245 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.486 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -67.92 -44.15 39.64 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -176.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 56.8 Cg_endo -71.13 10.79 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.942 1.761 . . . . 0.0 112.961 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 2.1 mptt -134.45 -32.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.396 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 84.53 26.56 38.65 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.18 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.43 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -116.61 140.13 49.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.101 0.477 . . . . 0.0 111.768 -175.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.53 102.07 9.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.577 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 12.6 mt-30 -90.17 99.92 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 ' HG ' ' A' ' 22' ' ' LEU . 1.8 mt -92.4 119.15 31.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.068 0.461 . . . . 0.0 111.56 -174.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.36 79.62 3.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.163 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -101.3 164.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.968 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -75.31 129.51 82.22 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.4 131.34 22.91 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.654 2.236 . . . . 0.0 111.452 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.34 -36.71 3.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.78 115.41 13.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 110.042 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -64.32 129.25 94.01 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.529 -175.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.464 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 32.2 Cg_exo -59.14 -37.93 89.41 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.579 2.186 . . . . 0.0 112.161 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.33 -21.34 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.413 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.15 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.207 0.527 . . . . 0.0 110.105 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HG21 ' A' ' 44' ' ' ILE . 1.7 mt -72.17 -41.81 66.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.495 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 m -59.11 -41.04 87.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.972 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.63 83.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.711 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.34 94.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' LEU . 98.3 t -69.64 -39.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.931 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.11 -42.51 96.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.82 -17.13 76.59 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.222 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -6.01 46.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.09 -6.02 53.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.038 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 56.0 m-85 -103.82 -178.92 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 128.42 41.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.0 0.428 . . . . 0.0 110.636 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.88 27.66 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.357 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.61 133.74 31.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.562 0.22 . . . . 0.0 110.701 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -70.85 98.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.32 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.272 -178.324 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 p80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.543 0.687 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 50' ' ' PRO . 4.6 mt -105.92 155.38 19.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.835 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.73 129.47 44.76 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.17 148.27 5.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.353 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -147.11 159.99 42.95 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.71 -49.08 1.45 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.526 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.565 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtm -153.65 97.22 2.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.506 . . . . 0.0 109.824 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.48 -24.03 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.581 -172.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 161.04 3.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -44.12 -51.12 8.26 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -172.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -27.6 56.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.791 0.329 . . . . 0.0 111.737 -169.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.565 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -83.38 -41.81 17.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.991 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.94 49.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.576 0.703 . . . . 0.0 110.283 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.98 -38.54 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.501 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -65.06 -40.01 94.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.302 170.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.25 -40.54 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.711 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -38.57 88.86 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -49.28 72.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.47 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 60' ' ' LEU . . . -60.08 -40.92 91.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.064 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.87 -45.31 82.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -70.29 -17.89 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.455 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -14.95 61.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.99 0.424 . . . . 0.0 109.974 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 90.6 t -83.53 123.28 76.75 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.1 Cg_exo -79.23 44.71 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.007 2.472 . . . . 0.0 113.232 -174.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.85 -4.33 5.2 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 169.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 44' ' ' ILE . 75.0 t -96.11 126.21 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.409 -0.896 . . . . 0.0 110.993 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -87.81 -43.76 11.61 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 m -160.81 163.48 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.007 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.58 121.68 13.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.913 0.387 . . . . 0.0 111.01 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.53 89.14 3.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.23 0.538 . . . . 0.0 109.901 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.85 119.09 37.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.885 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.02 102.52 13.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.146 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.53 -49.88 85.1 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 12.3 Cg_exo -71.14 10.63 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.284 1.989 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -8.81 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.949 0.404 . . . . 0.0 110.441 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 60.83 33.09 81.77 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.957 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 142.15 51.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.961 0.41 . . . . 0.0 111.6 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.58 100.36 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.228 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -85.11 93.73 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD22 HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.81 134.86 36.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.214 0.53 . . . . 0.0 111.654 -174.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.92 1.74 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.972 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 28' ' ' VAL . 1.6 pt -96.91 160.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.175 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 47' ' ' GLY . 61.7 t -72.11 134.59 82.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.477 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.02 -17.42 19.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.146 2.564 . . . . 0.0 113.588 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -64.63 -30.6 78.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.677 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.82 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 175.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -150.14 141.61 14.98 Favored Pre-proline 0 N--CA 1.442 -0.867 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.144 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.542 ' HA ' HD12 ' A' ' 53' ' ' LEU . 37.6 Cg_exo -60.01 -27.57 85.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.9 2.4 . . . . 0.0 112.972 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HA ' HD22 ' A' ' 66' ' ' LEU . 1.5 p30 -66.96 -21.84 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.805 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.75 -40.08 49.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.27 -44.0 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.658 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.476 HG21 HD23 ' A' ' 66' ' ' LEU . 10.1 m -59.96 -41.1 91.21 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.123 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.03 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.868 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.12 90.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.478 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' LEU . 63.4 t -67.85 -41.95 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.86 82.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.595 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.41 -17.14 67.17 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.367 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 178.428 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.69 -6.67 27.88 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.067 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -98.12 -170.04 1.91 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 5.2 tptt -131.07 133.12 45.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.75 0.31 . . . . 0.0 110.182 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.69 155.31 45.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.074 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 116.89 18.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.569 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -75.11 98.99 3.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.374 176.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 -173.227 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.917 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.094 0 CA-C-O 121.268 0.556 . . . . 0.0 112.126 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.532 HD21 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -118.45 -170.83 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.649 176.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -130.23 140.37 50.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 tt -111.52 137.95 42.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.54 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.12 -32.59 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.523 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.16 13.21 58.09 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.72 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -86.63 124.5 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.741 -0.27 . . . . 0.0 110.525 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -13.76 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 0.0 109.745 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 p 177.63 -121.07 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.889 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 15.7 t70 -113.64 -26.18 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.606 -0.437 . . . . 0.0 112.151 -167.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -51.68 68.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.349 0.595 . . . . 0.0 110.516 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -40.89 96.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.158 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . . . -76.45 46.89 0.45 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.137 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.36 -41.62 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.208 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.04 -41.01 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 57' ' ' VAL . 6.0 t -63.86 -42.84 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.328 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -60.38 -44.87 95.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.319 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 1.8 mt-10 -59.1 -50.41 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.25 96.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.17 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.96 -49.43 67.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.12 -11.79 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 111.181 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -74.97 -16.88 60.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.184 170.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.06 124.31 72.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.38 58.11 5.02 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.995 2.463 . . . . 0.0 112.511 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.97 35.39 0.62 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 44' ' ' ILE . 55.3 t -142.57 125.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.746 -0.727 . . . . 0.0 109.716 -170.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -94.49 -42.36 8.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -154.81 119.54 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.11 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -101.84 120.98 41.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.39 71.33 1.33 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.244 0.545 . . . . 0.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.9 t -71.56 114.98 10.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.794 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.11 112.24 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.986 0.422 . . . . 0.0 111.632 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -60.52 -43.3 92.29 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.677 177.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 25.9 Cg_endo -61.91 0.83 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 121.974 1.782 . . . . 0.0 113.554 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -24.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.727 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA2' ' SD ' ' A' ' 9' ' ' MET . . . 78.82 19.82 72.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.786 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.77 140.99 48.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 -175.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -97.42 85.36 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.325 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 26.0 mt-30 -75.38 87.39 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.99 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -108.45 125.17 51.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.432 -175.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.45 78.59 7.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.681 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.82 153.95 3.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.147 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.01 137.55 69.18 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.233 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.09 123.12 12.72 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.874 2.382 . . . . 0.0 111.82 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.3 -36.85 2.39 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.92 110.44 17.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.96 0.41 . . . . 0.0 110.193 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 5.8 p -74.47 140.79 75.89 Favored Pre-proline 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.603 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 31.7 Cg_exo -59.02 -26.9 83.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 112.328 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.66 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.49 59.56 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.499 0.666 . . . . 0.0 109.856 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.532 HD22 HD21 ' A' ' 4' ' ' LEU . 3.4 mp -72.22 -45.03 61.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.121 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -57.54 -42.86 83.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.897 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.74 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.008 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.68 88.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.97 -37.71 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.052 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.49 -40.04 95.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.396 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.05 -9.63 80.05 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.607 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.31 -13.61 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.94 0.4 . . . . 0.0 111.33 177.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.86 -4.25 19.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -118.93 -163.3 0.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 152.6 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 -177.86 6.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.343 0.592 . . . . 0.0 111.642 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.23 -159.1 0.99 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.23 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.04 147.84 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.738 178.166 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.008 0.433 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -138.42 138.65 38.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -80.21 126.6 31.31 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -93.56 143.73 10.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.59 152.82 45.77 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 -46.75 1.12 Allowed Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.513 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -169.67 141.02 2.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.787 HG21 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.89 -53.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -33.55 -52.25 0.39 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -164.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -172.88 153.13 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.993 0.361 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m 74.12 -52.39 0.69 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.701 . . . . 0.0 112.537 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HG ' ' H ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.83 -52.97 62.01 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.118 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.1 51.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.397 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.238 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.01 -33.86 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 167.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.9 -39.22 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.29 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 6.7 tttm -63.83 -38.32 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -50.01 74.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.075 0.464 . . . . 0.0 110.383 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.94 -35.73 81.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 175.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.74 -13.98 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.926 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 24' ' ' LYS . 1.1 ttmm -73.56 -13.57 61.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.287 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.71 122.98 78.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -79.81 48.81 2.98 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.635 2.223 . . . . 0.0 113.449 -173.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.59 10.12 1.45 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 44' ' ' ILE . 42.6 t -96.69 122.51 48.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.245 -174.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -44.35 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.012 0.434 . . . . 0.0 109.872 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -154.73 122.2 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.531 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.38 78.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.241 0.544 . . . . 0.0 110.004 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.4 84.09 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 40' ' ' ALA . 2.1 t -72.29 131.5 34.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -97.78 91.76 5.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.299 0.571 . . . . 0.0 110.167 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.644 ' HD1' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -57.86 -51.38 82.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.442 -178.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.644 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 7.2 Cg_exo -74.4 16.62 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.734 2.289 . . . . 0.0 112.919 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.65 -32.08 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.41 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' A' ' 10' ' ' THR . . . 92.29 15.89 51.97 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.234 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 165.62 20.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -125.78 131.67 52.43 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.569 0.224 . . . . 0.0 110.631 177.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.6 91.1 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 4' ' ' LEU . 1.2 mp -101.88 101.71 12.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.34 0.591 . . . . 0.0 110.801 -174.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.12 83.19 4.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.778 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.543 HG21 HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -91.79 167.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.649 177.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.24 146.94 82.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.189 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HD2' HG22 ' A' ' 45' ' ' VAL . 25.5 Cg_endo -61.89 95.84 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.806 2.338 . . . . 0.0 111.928 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.07 -35.85 0.45 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.08 125.58 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.842 0.353 . . . . 0.0 110.552 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 139.22 82.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_endo -65.04 -31.98 54.31 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.19 1.927 . . . . 0.0 111.995 -178.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -67.04 -18.3 65.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.852 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 -37.34 57.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.311 0.577 . . . . 0.0 110.188 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 22' ' ' LEU . 1.1 mp -75.19 -51.87 12.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.921 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -55.35 -45.2 76.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.353 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.19 78.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.07 99.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.744 0.306 . . . . 0.0 110.276 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -73.84 -40.81 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.442 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.1 78.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.341 0.591 . . . . 0.0 110.343 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.18 75.97 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.494 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -74.29 4.48 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.403 . . . . 0.0 111.22 176.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.42 24.09 44.79 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.513 ' HE1' ' HB2' ' A' ' 9' ' ' MET . 69.3 m-85 -132.35 -160.16 1.02 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -140.96 152.99 45.41 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 5' ' ' LYS . . . -152.04 154.71 36.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.554 176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.12 126.13 19.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.967 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -72.43 99.1 2.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.332 0.587 . . . . 0.0 111.435 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.612 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 66' ' ' LEU . 59.8 mt -120.51 151.38 39.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -111.48 124.18 51.75 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' A' ' 9' ' ' MET . 1.3 tt -89.71 114.43 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.422 0.63 . . . . 0.0 110.349 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -18.96 19.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.505 -174.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.58 -10.14 73.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.649 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.69 ' HB3' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.68 142.78 27.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.74 9.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.693 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 p 176.98 -169.94 0.07 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.797 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.77 -29.04 69.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -55.68 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 111.96 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.54 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.43 45.78 0.4 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 0.0 111.517 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.4 -42.06 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.92 -33.67 76.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 170.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 5.4 t -68.59 -39.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.705 176.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -61.39 -44.77 96.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.62 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.79 -53.28 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.92 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.067 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -65.16 -54.53 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.77 -15.04 63.29 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.725 0.298 . . . . 0.0 111.407 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -24.97 59.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.174 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 42.6 t -81.68 124.88 79.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.6 Cg_exo -77.06 43.58 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.759 2.306 . . . . 0.0 113.12 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 -4.55 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.06 151.43 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.384 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.34 -30.71 1.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.98 0.419 . . . . 0.0 109.988 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.14 101.31 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.965 171.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.12 104.52 15.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.855 0.359 . . . . 0.0 110.559 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -108.83 93.34 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.245 0.545 . . . . 0.0 110.657 -176.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.63 114.27 30.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.129 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -93.5 117.77 30.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -69.59 -49.83 20.57 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -175.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.9 Cg_exo -70.18 9.9 0.61 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.143 1.896 . . . . 0.0 112.744 -176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 5.6 mmtp -134.37 -26.76 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.93 25.48 71.47 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.818 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -117.17 140.46 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.092 0.472 . . . . 0.0 111.315 -175.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.15 112.76 25.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.332 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.527 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -99.08 111.04 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -114.63 126.96 55.49 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.638 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.3 77.82 1.83 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 168.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' H ' HG13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -93.44 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.332 -175.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.593 HG12 ' H ' ' A' ' 47' ' ' GLY . 92.6 t -73.5 141.07 79.46 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.619 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 45' ' ' VAL . 9.2 Cg_endo -52.89 -18.97 10.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.157 2.571 . . . . 0.0 113.683 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -92.17 37.17 3.44 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.41 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.51 125.18 14.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.959 0.409 . . . . 0.0 110.851 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.84 139.99 35.24 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.35 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CB ' HD13 ' A' ' 66' ' ' LEU . 75.0 Cg_exo -56.13 -35.53 95.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 112.671 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.14 67.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.273 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.02 -38.57 52.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.304 0.573 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.7 -43.13 66.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.24 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.9 m -57.73 -42.83 84.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.916 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.15 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.019 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.9 97.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.98 -42.53 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.268 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' HB1' ' HE2' ' A' ' 63' ' ' LYS . . . -63.82 -42.79 97.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.158 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.74 -22.26 79.15 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.588 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -3.63 31.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 111.059 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.4 -6.68 39.22 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.901 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 48.8 m-85 -101.38 -161.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.54 147.08 30.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.97 38.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.667 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.18 139.92 33.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.0 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 4' ' ' LEU . 10.1 tp -75.29 83.94 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.695 0.76 . . . . 0.0 110.603 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.43 177.043 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -112.5 135.74 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 167.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 6.8 ttpt -96.96 127.74 43.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.708 0.29 . . . . 0.0 110.39 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 tp -84.37 123.93 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.55 -17.45 6.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.02 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.79 -28.58 68.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.165 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -177.06 122.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.13 -33.59 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -172.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.84 157.87 4.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -172.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.643 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -43.34 -57.34 3.07 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 113.502 -1.681 . . . . 0.0 114.436 -172.066 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 -33.2 67.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.403 . . . . 0.0 111.769 -172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -69.4 -49.01 59.27 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' HD1' ' A' ' 35' ' ' TYR . . . -76.56 50.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.41 0.624 . . . . 0.0 110.441 174.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.92 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.025 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -36.31 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 166.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 57' ' ' VAL . 79.8 t -65.03 -45.76 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.17 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.22 88.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.414 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.91 -50.7 65.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . . . -57.34 -42.39 81.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.78 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.581 ' HG ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.87 -39.78 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.38 -15.38 61.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 21' ' ' ALA . 5.5 mtpt -73.32 -18.44 61.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 109.854 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 12.5 t -85.64 123.03 73.11 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.49 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.0 Cg_exo -78.98 59.81 7.53 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.065 2.51 . . . . 0.0 112.289 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.61 48.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 44' ' ' ILE . 17.5 t -142.65 123.68 11.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.832 0.349 . . . . 0.0 110.278 -171.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.93 -33.38 11.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.119 0.485 . . . . 0.0 110.181 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -153.81 144.01 22.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.865 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -136.42 75.56 1.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.065 0.46 . . . . 0.0 110.024 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.19 82.21 7.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 110.674 -175.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.73 131.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.358 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.673 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -118.39 90.36 3.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.69 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -55.22 -55.36 40.32 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.609 -174.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 32.9 Cg_endo -63.91 -20.64 68.45 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.899 1.733 . . . . 0.0 112.598 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.673 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 4.9 mtpt -95.76 -9.16 32.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.405 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.87 25.93 73.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.129 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.84 149.55 38.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.469 0.652 . . . . 0.0 112.151 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.648 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -130.1 98.7 4.82 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.703 170.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.13 88.94 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.719 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -105.73 114.88 29.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -175.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.28 86.74 5.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -82.65 155.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.701 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -76.71 132.28 72.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.433 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -52.26 132.03 42.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.645 2.23 . . . . 0.0 111.684 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.23 -37.42 2.77 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -170.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 178.23 8.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.873 -0.664 . . . . 0.0 109.669 170.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 49.5 m -151.7 143.34 15.92 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HA ' HD12 ' A' ' 53' ' ' LEU . 36.8 Cg_exo -56.9 -31.8 90.38 Favored 'Trans proline' 0 CA--C 1.518 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 112.731 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -31.78 67.26 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.529 0.518 . . . . 0.0 110.235 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -30.86 57.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.4 mt -80.48 -48.45 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.081 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 m -54.86 -46.78 74.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.936 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.21 84.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.033 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -60.99 -40.06 92.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.564 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.9 t -74.23 -40.87 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.21 92.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.392 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.99 -12.53 84.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.607 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -78.36 -0.6 29.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.6 -8.06 59.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.7 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.408 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 53.0 m-85 -101.85 -152.85 0.44 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -155.66 141.39 17.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.88 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.08 154.73 45.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.69 114.13 7.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.256 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -62.77 145.49 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 120.772 0.32 . . . . 0.0 110.282 -176.029 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t60 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.02 0.438 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt -117.65 152.77 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -112.76 136.71 52.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' MET . 3.6 tt -89.82 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.73 -26.36 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 0.0 111.447 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.28 74.76 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.208 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -171.85 -172.65 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 t -155.72 -41.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.86 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.21 -124.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -109.4 -82.27 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 120.821 -1.174 . . . . 0.0 113.179 -162.018 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.79 63.17 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.681 0.393 . . . . 0.0 111.955 -172.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -54.85 29.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.206 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.54 49.65 0.62 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.38 0.609 . . . . 0.0 110.729 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.87 -41.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -70.54 -35.8 73.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.19 -37.52 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.831 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tttm -64.25 -39.52 94.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.995 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.78 -53.71 54.73 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.08 0.467 . . . . 0.0 110.107 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -60.6 -37.08 80.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.251 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -47.67 75.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.87 -15.71 62.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.654 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.33 -25.82 59.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.114 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 55.1 t -71.37 123.79 89.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.928 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 24.1 Cg_exo -64.27 132.62 34.51 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.38 2.053 . . . . 0.0 111.65 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.09 -18.72 23.52 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 44' ' ' ILE . 69.1 t -95.31 121.79 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.069 -0.565 . . . . 0.0 110.167 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.491 HE21 ' HB2' ' A' ' 29' ' ' GLN . 3.4 mt-30 -96.54 -44.6 7.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 0.0 110.732 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.42 136.5 15.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.169 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -114.58 109.29 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.155 0.502 . . . . 0.0 110.516 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.98 73.97 2.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.625 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.43 116.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.08 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.51 83.03 4.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.477 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.86 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -54.77 -50.19 87.28 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.068 -174.048 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 41.9 Cg_endo -68.15 9.97 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.007 1.804 . . . . 0.0 113.617 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -133.35 -5.86 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.714 0.293 . . . . 0.0 110.36 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.88 23.09 70.79 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.689 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 144.78 40.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.537 . . . . 0.0 111.612 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.47 101.61 9.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.186 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.19 129.79 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.21 128.79 38.69 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.972 -174.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.94 82.29 2.97 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.623 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -100.29 170.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.201 -176.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.448 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 74.8 t -74.56 122.25 87.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.027 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 45' ' ' VAL . 9.8 Cg_endo -53.51 103.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.104 2.536 . . . . 0.0 111.915 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.26 -31.94 1.4 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.311 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -71.61 118.77 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.75 138.98 88.28 Favored Pre-proline 0 N--CA 1.442 -0.826 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.475 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -62.04 -19.15 65.21 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.528 2.152 . . . . 0.0 112.191 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.74 74.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.083 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.5 60.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG21 ' A' ' 44' ' ' ILE . 1.2 mp -72.71 -45.16 60.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.493 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 93.6 m -57.55 -42.88 83.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.924 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.92 79.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.95 94.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.9 t -68.67 -34.89 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.872 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -48.14 74.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.251 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.21 -13.03 73.01 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.331 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.27 -10.76 59.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.006 0.432 . . . . 0.0 110.618 174.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.01 10.64 45.33 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.37 -150.78 0.46 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -155.28 135.84 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -119.72 166.73 12.84 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.71 122.55 21.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.51 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.96 122.74 24.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.0 110.288 178.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.943 179.626 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 HD22 ' A' ' 42' ' ' LEU . 1.8 mm? -82.37 122.35 27.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.442 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 138.05 32.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 tp -98.41 140.36 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.183 0.516 . . . . 0.0 110.541 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.01 -9.44 2.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.659 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -82.48 55.7 4.98 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtm 78.18 124.3 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 124.777 0.928 . . . . 0.0 109.954 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.615 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -88.45 -21.64 24.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.292 -171.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 159.38 4.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.5 p-10 -52.69 -58.28 7.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.649 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -45.81 64.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.77 -49.81 42.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.79 49.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 111.124 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.59 -41.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -68.56 -36.48 78.85 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 109.387 171.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.19 -39.81 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.066 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -61.63 -38.11 86.45 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.992 176.166 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 35.8 mt-10 -60.66 -52.24 65.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 60' ' ' LEU . . . -62.7 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 110.943 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 42' ' ' LEU . 33.8 mt -66.51 -52.57 44.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.475 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 4.6 mt-10 -72.91 -11.53 60.62 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.407 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -73.74 -23.89 59.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -73.07 123.05 89.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.15 44.14 1.66 Allowed 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.574 2.182 . . . . 0.0 113.486 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.02 1.8 5.07 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.44 HG22 HG22 ' A' ' 44' ' ' ILE . 77.5 t -96.44 134.2 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.686 -0.757 . . . . 0.0 110.666 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -44.63 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 m -156.14 126.96 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.461 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.2 100.25 9.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.924 0.392 . . . . 0.0 109.956 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mt -100.08 84.31 2.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.084 0.469 . . . . 0.0 110.646 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -79.46 136.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.16 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.56 96.55 5.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.533 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -56.98 -51.96 77.71 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 35.2 Cg_endo -66.09 -20.86 56.64 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.799 1.666 . . . . 0.0 112.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.38 -19.59 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.642 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 70.12 27.75 72.53 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.407 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.23 146.78 51.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 111.565 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -115.69 108.77 16.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.539 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -79.34 80.37 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 53' ' ' LEU . 1.5 mp -86.93 103.28 15.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.868 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.11 79.4 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.483 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.566 HG13 ' HB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -89.87 157.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.44 133.57 91.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.202 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.25 111.94 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.211 2.607 . . . . 0.0 112.394 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.02 -36.97 1.91 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.566 ' HB ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -77.18 109.81 11.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 175.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.52 130.55 90.54 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.33 -176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.816 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.1 Cg_exo -56.08 -30.08 77.29 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.744 2.296 . . . . 0.0 112.572 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.15 -27.3 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 110.446 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.98 -33.11 59.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.452 0.644 . . . . 0.0 110.016 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.2 mt -75.1 -41.72 58.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.12 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -58.28 -44.39 88.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.114 173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.652 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.31 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.757 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.3 t -72.4 -38.65 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.386 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.89 87.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 110.25 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.2 -13.51 82.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.495 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.72 -7.88 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.061 0.458 . . . . 0.0 110.612 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.62 10.25 50.76 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.557 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.708 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 57.0 m-85 -119.89 -154.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.41 135.61 21.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.828 0.347 . . . . 0.0 111.185 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.12 163.19 37.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.543 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.37 141.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.793 0.33 . . . . 0.0 111.164 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.77 104.28 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.305 177.306 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.416 179.583 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.3 m170 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -135.98 174.04 11.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -119.16 135.78 54.5 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.935 0.398 . . . . 0.0 110.83 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.94 134.8 34.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -14.71 3.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -72.58 -27.42 69.43 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.461 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.468 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -178.25 128.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -115.46 -59.25 2.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -34.12 -55.11 0.5 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 -164.287 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.26 172.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m 70.44 -67.01 0.26 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.641 0.588 . . . . 0.0 111.398 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.23 -49.39 77.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.04 50.79 0.62 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.324 0.583 . . . . 0.0 110.806 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.09 -43.92 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.07 -34.41 76.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 169.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.33 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.244 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -62.33 -39.42 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.907 175.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.83 -52.05 67.09 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 24' ' ' LYS . . . -59.66 -37.99 80.22 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.116 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 53' ' ' LEU . 29.9 mt -64.56 -47.79 77.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.21 -6.64 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 3.4 tttt -73.78 -28.28 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.89 131.41 79.19 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.12 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.71 146.2 78.01 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.333 2.022 . . . . 0.0 112.408 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 97.47 -13.74 63.99 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -175.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' A' ' 44' ' ' ILE . 51.2 t -95.04 112.55 27.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 1.6 tt0 -87.06 -54.32 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.819 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m -154.15 116.36 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -96.55 111.98 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -104.09 93.33 4.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.74 127.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 m -94.81 101.6 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.678 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.91 -55.77 40.21 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 14.49 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.839 1.693 . . . . 0.0 113.005 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -133.25 -10.34 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.06 16.84 64.88 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.421 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.61 135.76 45.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.938 0.399 . . . . 0.0 111.441 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.02 104.04 12.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.5 80.02 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.653 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.31 127.09 39.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -176.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 29' ' ' GLN . . . -84.33 81.55 8.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -92.52 149.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.38 177.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 27' ' ' GLY . 1.5 t -74.97 136.47 73.28 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HG12 ' A' ' 45' ' ' VAL . 9.3 Cg_endo -52.67 -11.78 1.48 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.869 3.046 . . . . 0.0 114.856 -174.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.23 -23.1 78.17 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.46 177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -85.5 -172.59 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.753 0.311 . . . . 0.0 110.682 178.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.25 136.24 10.28 Favored Pre-proline 0 N--CA 1.439 -1.021 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.584 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.797 ' HB2' HD11 ' A' ' 66' ' ' LEU . 75.9 Cg_exo -54.25 -30.08 60.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.476 2.784 . . . . 0.0 113.501 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.01 -32.37 67.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.541 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.4 60.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.203 0.525 . . . . 0.0 110.308 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.662 HD23 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.17 -46.35 42.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.784 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -57.88 -43.86 86.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.301 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.08 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.15 92.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.682 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.4 t -70.8 -39.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.394 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.53 -44.35 91.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 -13.61 79.57 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.494 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.66 -3.48 31.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.647 174.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.54 3.0 59.89 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.858 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 61.1 m-85 -116.93 -175.64 2.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' H ' ' HA3' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -116.4 142.08 47.32 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.734 0.302 . . . . 0.0 110.97 -178.139 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.61 153.12 39.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.88 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.75 138.93 43.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.457 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -70.23 108.07 4.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 -175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.776 ' HB2' ' HA ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.956 0.407 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 4' ' ' LEU . 2.8 mm? -104.5 154.9 19.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.411 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -112.16 123.44 50.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -86.64 140.29 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.478 -176.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.86 -39.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.68 73.05 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.083 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -173.04 125.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -50.26 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -165.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -59.15 -120.65 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -169.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 41.0 t0 -104.22 169.75 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.777 -0.577 . . . . 0.0 109.93 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 71.23 -55.66 0.65 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.546 0.739 . . . . 0.0 110.922 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HG ' ' H ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -62.9 -52.91 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 176.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.86 49.04 0.51 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.219 0.533 . . . . 0.0 110.748 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.06 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.234 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -62.43 -35.79 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.355 0.598 . . . . 0.0 109.668 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 57' ' ' VAL . 31.1 t -67.22 -39.32 82.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.693 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -62.91 -40.51 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.914 177.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -65.18 -44.53 88.15 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.43 -43.79 93.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.386 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.59 -42.91 91.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.555 177.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.31 -27.53 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 111.05 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -18.34 60.67 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ALA . 28.0 t -85.88 127.77 60.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 33.1 Cg_exo -61.57 144.03 97.38 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.654 2.236 . . . . 0.0 112.636 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 91.8 -3.08 77.49 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG22 HG22 ' A' ' 44' ' ' ILE . 54.3 t -95.21 99.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -45.33 38.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.427 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.79 160.62 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -128.97 148.02 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.978 0.418 . . . . 0.0 110.928 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -132.0 85.85 2.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.823 178.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.42 131.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.66 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.29 106.63 14.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.105 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.671 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -63.86 -49.12 77.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.317 -176.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 60.1 Cg_endo -72.24 15.64 0.4 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.219 1.946 . . . . 0.0 113.177 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -134.41 -39.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.9 0.381 . . . . 0.0 110.362 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.87 20.77 38.55 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.589 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.06 129.86 45.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 111.272 -177.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.2 78.96 1.16 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.951 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 3.4 mt-30 -78.3 151.07 33.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.49 142.48 23.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.322 0.582 . . . . 0.0 111.77 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.15 80.3 1.83 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.01 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 28' ' ' VAL . 2.2 pt -93.35 -165.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.521 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.815 HG12 ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -159.59 148.74 14.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HD2' HG12 ' A' ' 45' ' ' VAL . 3.7 Cg_exo -39.99 118.66 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.956 3.104 . . . . 0.0 112.793 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.67 -42.17 1.39 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.04 95.16 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.519 0.676 . . . . 0.0 109.852 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -64.27 139.04 97.61 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.239 -177.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 32.2 Cg_exo -58.68 -34.46 98.93 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.295 1.997 . . . . 0.0 112.14 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.34 58.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.398 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -71.54 -52.98 15.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.558 0.694 . . . . 0.0 109.419 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -56.29 -44.14 79.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.318 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.36 77.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.245 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.822 0.344 . . . . 0.0 110.457 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.8 t -74.88 -40.63 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.174 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.92 95.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.96 81.31 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.285 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.89 -0.29 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.775 174.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.93 2.5 69.11 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.759 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.94 -165.43 1.02 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 19.4 tptm -144.95 127.49 16.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.866 0.365 . . . . 0.0 110.322 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB2' HG11 ' A' ' 57' ' ' VAL . . . -137.39 165.45 26.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.964 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.96 142.38 44.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.648 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.23 103.38 5.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 0.0 110.036 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.598 -177.773 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.752 ' HG ' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -135.66 149.57 49.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.752 0.311 . . . . 0.0 110.313 176.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 137.75 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.398 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mm -95.92 141.44 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.876 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.23 137.34 32.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.132 -176.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.79 -48.26 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.729 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.525 ' HG2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.97 97.58 1.82 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -97.67 -14.99 20.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 158.02 3.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -48.21 -49.53 32.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.011 -0.995 . . . . 0.0 113.555 -170.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -48.68 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 111.696 -176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' SG ' ' HG2' ' A' ' 9' ' ' MET . 1.7 m -73.47 -40.04 64.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.18 43.07 0.28 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.462 0.648 . . . . 0.0 110.944 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.32 -33.41 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.935 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -33.33 75.6 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 57' ' ' VAL . 54.7 t -62.69 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.531 172.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.723 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 10.9 ttpp -63.61 -38.7 92.12 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.038 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.02 -48.29 82.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 0.0 110.452 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.05 96.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.867 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -66.23 -35.25 79.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 177.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' HG11 ' A' ' 28' ' ' VAL . 11.8 mt-10 -70.07 -22.47 63.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.108 0.48 . . . . 0.0 110.409 177.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -18.93 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.944 174.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -83.53 123.31 76.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.14 44.2 1.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.458 2.105 . . . . 0.0 113.122 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.65 20.02 2.57 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -95.08 156.28 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.682 -0.759 . . . . 0.0 111.28 -174.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 6.2 mt-30 -134.31 -43.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 16.5 m -153.5 155.39 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.623 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.723 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -152.58 83.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.033 0.444 . . . . 0.0 110.682 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -91.42 77.72 5.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.194 0.521 . . . . 0.0 111.087 -176.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.3 t -80.59 110.09 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.982 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.86 122.62 44.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 111.607 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -68.43 -43.37 31.67 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.216 177.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.54 8.97 0.46 Allowed 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.259 1.973 . . . . 0.0 113.038 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -34.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.002 0.429 . . . . 0.0 110.27 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 19.28 59.12 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.439 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 p -116.67 127.69 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 111.329 -173.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -90.14 103.25 15.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.93 82.49 8.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.359 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.26 150.34 20.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.443 0.639 . . . . 0.0 111.135 -176.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -132.32 79.16 1.84 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.245 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.607 HD13 ' HB ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -90.64 165.56 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.217 175.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.97 138.87 82.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.39 100.34 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.098 2.532 . . . . 0.0 111.841 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.85 -27.73 0.59 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.607 ' HB ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -82.06 124.86 30.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.156 -0.522 . . . . 0.0 109.816 173.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -75.07 136.9 72.66 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 -176.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 34.8 Cg_exo -58.56 -31.6 94.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.013 2.476 . . . . 0.0 112.812 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.11 -22.44 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.49 60.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.178 0.513 . . . . 0.0 109.917 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.0 mp -72.75 -46.89 51.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.224 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.273 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.55 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.633 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.44 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.475 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.2 t -70.9 -44.45 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.372 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -61.61 -45.08 95.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 110.644 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.14 -17.24 78.62 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -72.97 -21.9 60.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.79 0.329 . . . . 0.0 110.406 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.78 -16.31 7.85 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.72 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 32.3 m-85 -97.62 -177.16 3.7 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 142.93 49.22 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.22 157.51 46.49 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.22 128.98 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.928 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -67.05 125.49 26.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.282 -179.084 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.278 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -118.98 161.23 20.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.232 0.539 . . . . 0.0 111.398 -174.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -103.44 129.61 50.6 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.108 174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.542 HD11 HG11 ' A' ' 18' ' ' VAL . 1.2 tp -74.88 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 165.65 27.79 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.45 -22.67 35.97 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.928 -1.13 . . . . 0.0 111.782 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.53 12.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.24 17.18 3.43 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -162.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 1.6 p -177.2 -164.46 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 17.1 t70 -44.52 -69.37 0.14 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.267 -1.788 . . . . 0.0 115.596 -162.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -41.12 65.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.442 0.639 . . . . 0.0 111.992 -169.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -46.54 54.03 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.387 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.77 47.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.141 0.496 . . . . 0.0 111.132 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 -48.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.425 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -35.7 79.76 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 6' ' ' ILE . 4.7 t -63.66 -44.7 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.82 176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -62.86 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.883 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.98 -55.24 37.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.291 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.813 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -65.44 -34.83 79.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.161 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 53' ' ' LEU . 11.3 mt -65.49 -45.14 84.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.593 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -73.61 -11.56 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.642 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 15.4 tttt -73.69 -27.49 61.25 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.815 170.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 48.0 t -81.05 129.53 66.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.651 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 14.8 Cg_exo -67.81 141.32 53.74 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.609 2.206 . . . . 0.0 112.114 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.68 -26.3 14.79 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -86.72 107.47 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.149 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -86.71 -38.49 16.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.4 152.54 30.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -138.56 96.47 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 79.94 9.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.4 0.619 . . . . 0.0 110.129 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -80.57 144.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.562 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.92 108.61 14.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.984 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -59.1 -55.61 44.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.74 43.09 1.03 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.498 2.132 . . . . 0.0 113.261 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -167.95 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.228 0.537 . . . . 0.0 110.087 176.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.31 34.52 10.48 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.502 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.09 145.75 28.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -177.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.88 92.23 3.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.286 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.3 81.06 6.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.541 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -88.93 146.83 24.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.452 0.644 . . . . 0.0 111.646 -174.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.52 80.72 1.38 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.74 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.33 160.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.944 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.874 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -75.21 153.84 86.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 45' ' ' VAL . 19.4 Cg_endo -58.45 -24.13 67.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.837 2.358 . . . . 0.0 113.167 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.732 ' H ' HG13 ' A' ' 45' ' ' VAL . . . -78.31 -11.75 85.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.874 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 175.31 9.03 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.151 0.5 . . . . 0.0 110.781 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -151.04 141.72 14.81 Favored Pre-proline 0 N--CA 1.442 -0.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.116 -176.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.9 Cg_exo -60.72 -26.52 83.14 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.798 2.332 . . . . 0.0 113.117 -175.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.53 -27.77 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.775 0.321 . . . . 0.0 110.287 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.47 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.423 0.63 . . . . 0.0 109.915 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -44.58 53.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.222 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.971 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.2 m -57.37 -45.02 84.84 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.769 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -36.5 82.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.44 79.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.737 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 53' ' ' LEU . 35.3 t -70.34 -35.06 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.684 0.278 . . . . 0.0 110.3 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.57 94.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.202 0.525 . . . . 0.0 110.326 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.81 -15.63 80.39 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.067 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -73.66 -10.0 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 111.274 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.11 -4.95 35.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.475 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -115.73 -144.76 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.52 28.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.823 0.344 . . . . 0.0 110.154 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -129.52 129.26 44.29 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -121.23 103.65 9.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.914 0.388 . . . . 0.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.06 109.14 3.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.686 . . . . 0.0 111.064 -178.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.271 179.246 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 18.4 p-80 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB3' HD22 ' A' ' 66' ' ' LEU . 1.1 pp -129.81 163.71 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 126.69 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 10' ' ' THR . 2.3 tt -82.48 141.08 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.17 -40.24 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.81 -23.82 71.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.743 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.51 100.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -74.74 -25.82 59.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.775 -176.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 158.85 4.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -176.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.76 165.92 11.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.186 -1.37 . . . . 0.0 110.913 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.7 m 80.43 -56.49 0.34 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.988 0.915 . . . . 0.0 109.586 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -47.43 75.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 59.07 1.11 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.09 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.942 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -63.28 -29.49 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.638 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.94 -43.93 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.405 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 4.3 tttm -59.19 -45.7 90.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.869 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.45 -51.3 68.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.644 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.96 79.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.166 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -47.47 75.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.971 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.6 -20.7 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 111.139 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -20.81 60.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.351 174.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -85.1 127.77 62.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.64 143.62 99.61 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.615 2.21 . . . . 0.0 112.206 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.69 -19.8 46.18 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -174.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.62 128.52 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.286 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -51.76 4.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.631 0.253 . . . . 0.0 110.53 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -157.73 158.46 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.787 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.596 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -130.56 122.5 27.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.601 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 4.5 tp -100.53 85.31 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.371 0.605 . . . . 0.0 109.808 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -81.14 130.54 35.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.152 -176.642 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.54 115.41 11.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -65.16 -41.25 51.63 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 94.6 Cg_exo -45.54 -40.81 18.37 Favored 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 122.143 1.895 . . . . 0.0 113.348 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 -22.33 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.992 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.56 19.32 66.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.303 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.76 147.94 43.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.589 . . . . 0.0 111.841 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -106.16 100.39 9.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.648 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 6.3 tp60 -73.97 90.86 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 109.807 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.82 132.95 39.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.469 0.652 . . . . 0.0 112.037 -171.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.59 83.66 2.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.783 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 156.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.27 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.21 134.93 93.49 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.906 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -39.72 124.3 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.447 2.765 . . . . 0.0 112.095 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.35 -133.58 11.7 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -168.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 m 54.64 104.2 0.01 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.507 0.67 . . . . 0.0 111.78 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 125.63 53.61 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.879 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 29.3 Cg_endo -62.92 -29.99 76.56 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.503 2.136 . . . . 0.0 112.011 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.81 -22.87 66.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.491 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -39.85 59.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.12 0.486 . . . . 0.0 110.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.2 mp -69.66 -49.03 57.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -57.53 -41.71 81.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.526 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.33 79.88 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.27 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.455 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' LEU . 13.9 t -71.39 -44.42 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.19 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.62 89.77 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 -22.97 78.48 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.963 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD12 ' HE1' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -73.32 -20.52 60.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.219 175.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.74 -21.44 11.36 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.026 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 60' ' ' LEU . 3.8 m-85 -87.89 130.19 34.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -76.04 131.44 39.51 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 161.95 36.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.26 125.56 24.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -66.66 124.58 23.26 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.085 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 -175.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 12.7 p80 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.717 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.64 172.5 12.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.305 -179.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HG2' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -109.2 146.96 33.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.462 HG21 ' HB2' ' A' ' 9' ' ' MET . 1.3 tp -108.74 155.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 120.721 0.296 . . . . 0.0 110.543 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -137.51 106.51 5.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.344 0.592 . . . . 0.0 110.551 -177.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.08 -31.79 2.75 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.678 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -77.74 125.19 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.781 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -7.62 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -167.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p 179.71 -52.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.02 166.56 3.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 m 73.27 -61.17 0.51 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.334 0.654 . . . . 0.0 111.486 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -47.44 85.61 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 9' ' ' MET . . . -77.57 56.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.567 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.92 -44.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.466 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -58.86 -41.55 87.3 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.528 0.68 . . . . 0.0 109.311 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.06 -47.32 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.188 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -64.94 -35.17 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.579 -179.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -52.17 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.074 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.71 92.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.676 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD22 HD23 ' A' ' 53' ' ' LEU . 15.7 mt -65.7 -48.43 72.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.489 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' A' ' 28' ' ' VAL . 25.7 mt-10 -75.45 -11.31 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.752 0.311 . . . . 0.0 111.426 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -73.09 -25.5 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 t -81.34 125.16 79.68 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.15 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 141.18 65.41 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.66 2.24 . . . . 0.0 112.132 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.55 5.51 16.2 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.39 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 23' ' ' GLU . 97.9 t -95.22 148.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.321 . . . . 0.0 110.146 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.04 -37.85 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.81 127.56 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.268 174.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -122.16 83.72 2.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.507 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.4 mt -87.94 77.61 8.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -76.82 117.49 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 98.85 11.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.708 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -59.21 -54.17 58.96 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.996 -173.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.6 Cg_exo -69.98 -17.11 36.78 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.145 1.897 . . . . 0.0 112.682 -176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -95.47 -34.83 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.911 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 26.32 33.31 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.758 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -117.36 141.95 47.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.713 0.292 . . . . 0.0 110.938 -179.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -115.09 96.16 5.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.83 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 10.3 mm100 -78.53 82.02 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.356 0.598 . . . . 0.0 109.496 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD11 HD13 ' A' ' 22' ' ' LEU . 1.2 mt -95.48 118.07 31.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.149 -175.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.61 2.45 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.686 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -87.1 145.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.633 179.332 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.86 127.91 86.16 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -44.02 115.87 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.264 2.643 . . . . 0.0 112.553 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.75 -38.2 1.15 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -171.6 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.625 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.26 143.01 15.78 Favored Pre-proline 0 C--N 1.316 -0.867 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.306 -178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.1 Cg_exo -61.13 -26.96 83.41 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.502 2.135 . . . . 0.0 112.143 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.81 -33.11 71.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.05 174.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.88 58.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.519 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.785 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -72.79 -45.58 57.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.527 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -59.07 -43.15 91.75 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.268 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.77 84.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.985 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.93 96.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 53' ' ' LEU . 45.2 t -70.67 -40.86 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.26 96.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.61 -16.15 76.29 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.285 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -75.49 1.98 12.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.35 . . . . 0.0 111.23 176.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 6.28 66.21 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.102 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -109.57 -161.1 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -135.89 139.98 43.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.939 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.94 150.66 35.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.642 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 109.32 6.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -55.31 128.77 35.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.466 . . . . 0.0 110.342 -172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.88 165.44 11.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.12 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HG23 ' A' ' 7' ' ' THR . 11.2 ttpt -102.28 124.85 48.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -98.51 134.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.383 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.38 -35.92 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.632 -174.132 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.13 67.24 2.77 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.231 176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 85.35 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.813 0.845 . . . . 0.0 110.778 175.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.509 ' OG1' ' HA2' ' A' ' 38' ' ' GLY . 4.9 t -84.57 -20.6 31.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.67 161.18 2.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.455 -179.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.58 160.38 9.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.975 -176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m 78.89 -52.67 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.818 0.847 . . . . 0.0 109.908 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -43.56 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.77 54.63 0.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.409 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.31 -43.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.109 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -64.24 -45.74 86.84 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.531 0.682 . . . . 0.0 109.379 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.42 -40.74 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.615 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -62.33 -39.78 94.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.304 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -51.34 68.27 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.209 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.04 -38.17 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 42' ' ' LEU . 10.7 mt -66.03 -44.68 83.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.11 -16.44 60.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.707 0.289 . . . . 0.0 111.193 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -10.29 59.28 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.946 0.403 . . . . 0.0 110.516 173.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 81.3 t -82.14 126.06 75.54 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.8 Cg_exo -66.84 127.58 17.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.663 2.242 . . . . 0.0 111.724 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.37 27.38 5.85 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 44' ' ' ILE . 83.8 t -142.08 120.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -90.0 -46.05 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.785 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 143.96 20.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.901 0.382 . . . . 0.0 111.575 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.62 87.84 2.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.516 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.8 74.24 9.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.156 0.503 . . . . 0.0 110.93 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.701 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.32 120.89 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 110.45 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -63.1 -44.83 85.41 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.632 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.552 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 77.3 Cg_endo -76.76 14.78 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.753 1.635 . . . . 0.0 112.582 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -133.43 -28.66 1.45 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.912 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.509 ' HA2' ' OG1' ' A' ' 10' ' ' THR . . . 82.01 20.55 62.85 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.924 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 146.95 51.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 0.0 111.322 -174.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.701 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -107.83 105.51 15.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.346 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -78.99 90.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.801 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -100.06 112.57 24.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.615 0.721 . . . . 0.0 111.748 -174.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.97 75.41 10.13 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 21.8 pt -93.52 155.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.685 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.85 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -72.22 148.83 91.49 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.21 -177.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.85 ' HD2' HG22 ' A' ' 45' ' ' VAL . 55.5 Cg_endo -71.31 52.3 1.51 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.106 2.537 . . . . 0.0 113.1 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.77 -31.21 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 118.29 19.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.06 0.457 . . . . 0.0 110.758 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 127.21 92.44 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HB2' HD11 ' A' ' 66' ' ' LEU . 91.6 Cg_exo -49.41 -37.09 40.61 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.303 2.668 . . . . 0.0 113.275 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -57.3 -25.89 60.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.48 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.97 58.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.371 0.605 . . . . 0.0 109.733 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.736 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -77.12 -45.46 26.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.986 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -47.75 76.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.139 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.7 84.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.154 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.78 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.788 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 53' ' ' LEU . 67.5 t -70.07 -39.09 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.206 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.43 93.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.161 0.505 . . . . 0.0 110.663 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.26 -14.17 80.77 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.31 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.66 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 1.3 tp -74.5 -7.72 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.767 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.7 -7.35 57.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.684 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.66 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 51.5 m-85 -99.4 -161.77 0.9 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 133.27 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.92 163.75 34.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.17 141.91 32.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.058 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.95 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -65.2 114.74 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.606 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.827 -179.483 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.23 132.44 43.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -94.39 124.09 38.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -100.26 116.77 44.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.862 0.839 . . . . 0.0 110.227 -176.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -20.43 18.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.806 -170.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.96 -5.77 89.91 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.536 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.568 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.37 148.44 25.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.912 0.387 . . . . 0.0 110.671 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -22.5 3.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.332 172.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 176.52 155.44 0.23 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.937 -172.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 13' ' ' SER . 17.0 p-10 21.72 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 170.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.83 -42.22 71.65 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.5 -50.63 66.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 0.0 109.959 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.86 46.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.1 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.24 -42.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.797 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -66.04 -31.34 72.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.07 -43.72 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.233 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.009 177.098 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.27 -52.77 63.32 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.49 87.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.808 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -65.14 -41.92 94.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.922 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' HG11 ' A' ' 28' ' ' VAL . 78.8 mt-10 -74.71 -16.55 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.396 . . . . 0.0 111.115 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -19.85 61.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 173.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 23.6 t -84.5 127.91 63.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.1 Cg_exo -66.63 149.59 83.98 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.784 2.323 . . . . 0.0 113.081 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -9.18 41.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.045 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 23' ' ' GLU . 55.4 t -77.7 118.63 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.733 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -99.03 -36.39 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.113 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.62 147.29 25.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.942 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . . . -142.32 98.45 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.644 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -99.8 85.22 3.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.2 -178.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -83.6 135.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -114.63 104.69 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -64.8 -50.64 62.57 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.112 -178.258 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 8.6 Cg_exo -73.19 15.16 0.51 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.135 1.89 . . . . 0.0 112.837 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 17.6 mttt -133.98 -24.99 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.27 36.18 59.95 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.062 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.84 153.12 48.32 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.744 -0.268 . . . . 0.0 110.89 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.8 119.39 28.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 3.5 mp0 -91.97 91.48 7.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD13 HD22 ' A' ' 53' ' ' LEU . 3.4 mt -99.63 132.23 45.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.455 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.65 81.1 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.456 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.407 ' H ' HG13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.95 140.73 15.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.713 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -63.23 146.51 95.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.232 179.05 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' A' ' 45' ' ' VAL . 33.2 Cg_exo -61.36 72.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.063 2.508 . . . . 0.0 111.877 172.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.54 -33.66 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -163.66 0.89 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.156 171.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.62 144.15 16.66 Favored Pre-proline 0 N--CA 1.442 -0.856 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.2 Cg_endo -58.77 -31.11 94.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.363 2.042 . . . . 0.0 112.639 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -26.44 66.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.999 176.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.97 -34.49 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.254 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.747 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -48.25 30.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.376 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -55.06 -47.82 74.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.042 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.84 74.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.456 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.85 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.085 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 53' ' ' LEU . 47.8 t -70.33 -43.32 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.357 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.58 97.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.512 . . . . 0.0 110.4 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.45 -19.4 78.18 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.648 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -12.92 60.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 0.0 111.0 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.88 14.08 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.411 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.91 -164.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 146.96 38.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.18 30.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.285 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.48 119.06 13.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.179 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.56 118.37 13.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.191 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.628 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 CA--C 1.521 -0.157 0 CA-C-O 121.088 0.47 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.468 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -97.68 155.34 17.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -85.71 134.69 33.95 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 9' ' ' MET . 0.3 OUTLIER -100.25 147.02 8.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.289 0.566 . . . . 0.0 110.825 -176.021 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.522 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -144.07 148.49 35.23 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.26 -3.31 56.68 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.954 -1.117 . . . . 0.0 111.659 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.576 ' HG2' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -153.19 146.8 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 17.34 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 p -176.74 -176.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.37 -35.81 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.715 -161.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.39 75.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -175.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -75.9 -31.38 59.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 46.55 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.532 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.8 -43.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.529 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.05 -42.62 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.29 0.567 . . . . 0.0 109.665 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.73 -38.86 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.704 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -38.34 87.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.059 176.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.43 -55.21 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.239 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -41.52 74.36 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.085 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.86 -46.26 79.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 28' ' ' VAL . 3.7 mt-10 -76.03 -7.09 53.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.543 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -82.63 -3.98 57.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.385 . . . . 0.0 110.479 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.8 t -85.35 127.51 63.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.254 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.72 135.41 38.44 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.514 2.143 . . . . 0.0 112.077 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.84 -6.19 35.09 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -87.64 162.94 2.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -133.62 -49.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.804 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.85 131.14 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.469 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.5 106.14 15.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.627 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 1.1 mt -101.57 79.08 1.91 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 110.32 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.15 103.71 14.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.971 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.612 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.42 -44.62 88.3 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 45.0 Cg_exo -57.83 -42.24 61.14 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.742 1.628 . . . . 0.0 112.403 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.18 -36.2 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 39.27 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.54 138.34 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.16 96.4 6.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.018 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.17 99.49 11.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.016 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -106.57 114.19 28.15 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.342 0.592 . . . . 0.0 111.633 -173.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.96 85.16 7.24 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.669 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.496 ' HB ' ' H ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -92.04 -154.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.785 177.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' H ' ' HB ' ' A' ' 44' ' ' ILE . 77.7 t -159.24 133.37 5.18 Favored Pre-proline 0 N--CA 1.465 0.291 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -38.47 104.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.865 3.044 . . . . 0.0 113.299 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.16 -7.78 0.65 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -143.68 101.28 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.738 -0.731 . . . . 0.0 109.03 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 151.71 96.88 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.202 -174.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.675 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.6 Cg_exo -59.55 -28.19 86.83 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.063 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.38 -28.27 68.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.958 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.27 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.906 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.6 mt -72.98 -45.29 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.0 m -57.84 -43.24 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.006 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.37 80.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.122 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.6 89.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.591 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 61.5 t -69.47 -40.77 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.154 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.76 -43.21 99.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.178 0.513 . . . . 0.0 110.015 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.85 -11.92 85.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.481 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.51 -7.59 53.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 175.067 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.01 3.7 51.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.639 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 55.9 m-85 -120.27 -164.42 1.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -133.16 149.51 52.06 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.744 0.306 . . . . 0.0 110.611 -178.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.25 166.13 32.73 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.164 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.28 136.94 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.399 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.15 97.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.104 0.478 . . . . 0.0 111.106 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.61 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.827 0.346 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -110.65 154.9 23.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 124.97 46.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG21 ' OG1' ' A' ' 10' ' ' THR . 1.3 tp -81.38 151.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.136 0.493 . . . . 0.0 110.959 -175.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.89 -30.05 0.82 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.573 176.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.23 45.7 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.93 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.8 150.42 0.09 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.102 0.954 . . . . 0.0 113.265 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.579 ' OG1' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -159.9 -144.64 0.11 Allowed 'General case' 0 N--CA 1.415 -2.197 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 151.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 31.9 p 146.4 -119.68 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 126.321 1.849 . . . . 0.0 107.47 166.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -82.43 143.38 31.21 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.498 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 m 71.39 -54.02 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.4 m -59.56 -42.48 92.51 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.32 56.38 1.34 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.34 0.59 . . . . 0.0 110.816 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.18 -39.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.72 -34.58 78.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' CYS . 40.7 t -64.46 -40.96 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.61 174.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.717 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.57 -47.55 85.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.171 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.65 60.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.409 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.2 -12.08 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.46 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -74.31 -27.26 60.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.003 0.43 . . . . 0.0 109.858 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.32 127.01 82.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.945 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 148.99 77.64 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.085 1.857 . . . . 0.0 111.287 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 29.57 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.433 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 44' ' ' ILE . 23.4 t -141.75 160.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.6 mm-40 -131.42 -46.11 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.956 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -155.78 134.04 11.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 111.278 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.92 124.01 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 0.0 110.254 173.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.74 88.71 2.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 109.976 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 135.29 25.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.86 -175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.62 91.92 4.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.748 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -57.48 -55.34 45.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 13.0 Cg_exo -71.15 -15.58 31.94 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.054 1.836 . . . . 0.0 112.806 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -28.88 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.697 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.49 33.11 20.53 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.33 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.24 150.09 45.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.13 93.45 3.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.529 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 130.91 40.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 3.7 mt -123.73 122.28 37.67 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.888 -173.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.13 75.7 6.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 28' ' ' VAL . 2.0 pt -90.36 165.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.534 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.2 t -75.43 139.84 71.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.944 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 37.8 Cg_exo -61.26 97.14 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.763 2.308 . . . . 0.0 111.823 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.13 -38.42 0.9 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.96 126.71 29.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 0.0 110.836 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.76 131.81 81.42 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.37 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' HD12 ' A' ' 53' ' ' LEU . 20.7 Cg_endo -61.72 -27.35 80.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.493 2.128 . . . . 0.0 112.026 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -21.89 66.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.657 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.2 -37.73 61.05 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 109.843 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.1 mt -73.67 -43.8 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.439 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 m -60.33 -41.16 92.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.455 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.8 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -63.62 -41.31 98.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.446 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 62' ' ' TYR . 62.3 t -69.26 -45.47 79.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.269 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -60.71 -40.72 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.435 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.57 -17.53 75.45 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.604 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.64 -38.41 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.734 0.302 . . . . 0.0 110.785 179.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.32 4.41 0.93 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -122.22 168.28 12.2 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.401 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.28 126.35 50.36 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.324 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -142.44 158.11 44.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 137.66 54.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.935 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 144.16 42.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.286 0.565 . . . . 0.0 111.329 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.923 -179.884 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.719 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -115.9 160.16 20.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.924 0.392 . . . . 0.0 110.25 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -116.67 124.02 48.7 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.734 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -89.15 123.97 41.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.368 0.604 . . . . 0.0 109.4 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -28.86 12.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.639 -169.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.5 18.93 46.66 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.658 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.544 ' HB3' HG12 ' A' ' 6' ' ' ILE . 2.8 ttp -160.94 107.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.73 -12.9 15.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.603 0.716 . . . . 0.0 109.63 170.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -64.74 171.88 3.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 177.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 10.6 t70 -86.14 -75.2 0.39 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 113.509 -1.678 . . . . 0.0 113.137 -166.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -23.31 63.75 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -168.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.66 -36.0 82.86 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.146 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . . . -76.44 52.07 0.76 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.493 0.664 . . . . 0.0 110.786 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.19 -42.19 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.827 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.92 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -39.44 94.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.822 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -46.39 90.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.38 83.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.034 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.17 -48.36 70.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.581 175.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.16 -17.97 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.705 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -16.12 61.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 79.4 t -81.16 124.87 80.61 Favored Pre-proline 0 N--CA 1.451 -0.406 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.2 Cg_exo -73.87 78.81 2.42 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.751 2.3 . . . . 0.0 112.501 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.31 41.5 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.877 HG22 HG22 ' A' ' 44' ' ' ILE . 14.0 t -144.96 119.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.573 . . . . 0.0 109.688 -170.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -105.39 -31.38 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.332 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.639 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 60.9 m -154.03 149.58 27.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.807 0.336 . . . . 0.0 110.883 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.87 3.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 4.6 mp -99.94 84.61 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.414 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 12.7 t -97.32 118.71 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -101.36 115.71 31.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.753 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -64.76 -55.89 25.36 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.394 -177.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HD2' ' A' ' 35' ' ' TYR . 70.6 Cg_endo -73.25 9.17 1.52 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 121.893 1.729 . . . . 0.0 113.585 -171.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.78 -8.15 3.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 110.21 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.69 32.69 79.59 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.111 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.05 50.49 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.227 -0.572 . . . . 0.0 111.354 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -115.9 128.26 55.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.819 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -108.42 105.22 14.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.639 176.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 4' ' ' LEU . 1.1 mt -103.02 127.45 50.26 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.263 0.554 . . . . 0.0 111.395 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 30' ' ' SER . . . -103.02 81.46 1.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.877 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pp -99.93 163.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.412 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -76.08 138.77 68.72 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 16.6 Cg_exo -69.34 42.64 0.32 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.006 2.471 . . . . 0.0 113.857 -175.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -120.19 -28.91 1.73 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 117.82 24.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.386 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.31 140.07 96.6 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.063 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.54 -32.94 94.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.124 1.883 . . . . 0.0 111.769 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -24.34 64.32 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.0 -35.08 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.239 0.542 . . . . 0.0 109.926 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD22 HD13 ' A' ' 42' ' ' LEU . 1.5 mt -72.95 -41.91 63.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.274 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -42.13 84.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.934 173.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.1 82.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.902 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.56 93.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.31 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.07 -41.08 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.094 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.74 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.271 0.558 . . . . 0.0 110.21 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.06 -18.43 79.16 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.546 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -74.59 -1.85 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 176.251 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 7.37 58.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.934 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 98.0 m-85 -113.45 -175.03 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -131.43 128.08 38.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.496 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.59 161.97 37.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.968 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.38 146.0 37.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.997 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.18 103.17 3.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.129 0.49 . . . . 0.0 110.278 178.695 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.719 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -177.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.05 142.47 49.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 169.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 140.07 45.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.089 0.471 . . . . 0.0 111.661 -173.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.7 119.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -18.47 21.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.059 0.457 . . . . 0.0 110.97 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.34 7.88 47.7 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.957 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.22 160.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.012 0.406 . . . . 0.0 111.769 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.785 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -90.71 -114.81 0.08 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 158.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.785 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 146.23 -165.25 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 146.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.56 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 16.5 t70 -135.49 -110.33 0.21 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 112.442 -2.163 . . . . 0.0 105.469 155.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 16.28 -76.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 153.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.56 -52.58 59.28 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.863 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 33' ' ' VAL . . . -76.31 53.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.644 0.735 . . . . 0.0 110.545 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.89 -47.59 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.172 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.1 -38.27 75.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.58 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -40.89 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.353 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -59.68 -42.25 92.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.146 176.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.42 -51.89 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.461 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.67 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 111.0 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 53' ' ' LEU . 9.7 mt -65.88 -46.01 79.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HA ' HG11 ' A' ' 28' ' ' VAL . 70.0 mt-10 -70.05 -18.03 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.86 -15.15 60.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 173.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 72.7 t -79.38 132.13 63.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.066 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 18.0 Cg_exo -66.48 135.35 38.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.636 2.224 . . . . 0.0 111.871 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.9 -5.64 42.97 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 23' ' ' GLU . 98.1 t -96.53 156.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.58 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.556 0.217 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.1 125.2 7.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.229 -0.295 . . . . 0.0 110.41 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 19' ' ' LYS . . . -106.28 122.5 46.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.823 0.344 . . . . 0.0 110.752 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.08 88.29 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.353 0.597 . . . . 0.0 109.588 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.726 ' HB ' ' HB1' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -84.62 145.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.881 -176.428 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.16 83.02 2.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.72 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -58.02 -43.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.689 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 47.1 Cg_exo -57.14 -33.44 95.86 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.775 1.65 . . . . 0.0 112.549 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -16.57 21.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.999 178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.21 40.7 28.41 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.55 161.5 35.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.711 0.291 . . . . 0.0 110.751 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.27 124.16 25.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.474 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -101.64 99.36 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -103.51 119.76 39.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.063 0.458 . . . . 0.0 111.442 -174.391 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.12 81.73 7.32 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.1 152.86 3.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.459 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -75.43 133.94 73.8 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.299 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.38 116.59 2.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.704 2.269 . . . . 0.0 111.37 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.44 -34.54 2.04 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -81.42 -172.86 4.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -150.3 142.15 15.4 Favored Pre-proline 0 C--N 1.315 -0.892 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.429 -174.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_exo -61.01 -27.23 84.42 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -176.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -26.43 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.259 177.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.13 60.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.592 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 22' ' ' LEU . 1.3 mp -80.91 -46.29 15.44 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 109.965 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -52.22 -41.52 62.79 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' VAL . . . -66.03 -51.01 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.586 172.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 21.39 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 92.2 t -143.62 -40.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.069 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.53 -41.02 89.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.547 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.6 -16.07 79.85 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.021 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.54 -13.04 60.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.062 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.68 10.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.732 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.6 m-85 -98.04 166.96 11.18 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -107.77 124.42 50.01 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 142.68 33.52 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.29 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.69 133.4 48.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.008 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.98 107.49 2.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 -174.723 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tmm? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.873 0.368 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 HG21 HD11 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -110.48 56.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.909 0.385 . . . . 0.0 112.015 -176.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.91 114.75 19.58 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 173.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.15 165.01 11.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.904 -172.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -109.65 131.23 55.25 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.791 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.7 141.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.56 -39.1 1.49 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.22 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.35 66.09 2.98 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.627 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 4.4 mmt 85.35 111.65 0.05 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.16 0.984 . . . . 0.0 110.712 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -106.66 -17.19 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.646 -172.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 167.28 0.72 Allowed 'General case' 0 C--O 1.239 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -73.37 78.35 1.37 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.325 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 m -169.69 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -67.33 -42.7 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.49 173.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.24 48.56 0.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.449 0.642 . . . . 0.0 110.359 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.22 -49.99 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.756 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -32.45 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.007 173.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.1 -40.52 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.202 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -62.31 -43.0 99.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.946 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -59.43 -53.58 56.52 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.279 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.68 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.016 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -65.38 -51.82 57.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.051 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -16.36 60.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.833 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.7 t -83.69 124.63 74.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.76 133.98 38.71 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.25 1.967 . . . . 0.0 111.821 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.88 -11.37 38.01 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 44' ' ' ILE . 98.8 t -95.29 127.54 47.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.241 -0.479 . . . . 0.0 109.907 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -45.93 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -154.88 134.35 12.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.47 90.03 3.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 0.0 109.919 174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -80.9 78.7 7.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.279 0.562 . . . . 0.0 110.886 -176.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.4 139.42 17.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.768 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.07 109.16 13.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.245 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.486 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -67.92 -44.15 39.64 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -176.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 56.8 Cg_endo -71.13 10.79 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.942 1.761 . . . . 0.0 112.961 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 2.1 mptt -134.45 -32.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.396 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 84.53 26.56 38.65 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.18 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.43 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -116.61 140.13 49.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.101 0.477 . . . . 0.0 111.768 -175.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.53 102.07 9.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.577 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 12.6 mt-30 -90.17 99.92 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 ' HG ' ' A' ' 22' ' ' LEU . 1.8 mt -92.4 119.15 31.65 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.068 0.461 . . . . 0.0 111.56 -174.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.36 79.62 3.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.163 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -101.3 164.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.968 -178.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -75.31 129.51 82.22 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -48.4 131.34 22.91 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.654 2.236 . . . . 0.0 111.452 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.34 -36.71 3.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.78 115.41 13.18 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.023 0.44 . . . . 0.0 110.042 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -64.32 129.25 94.01 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.529 -175.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.464 ' HB2' ' HG ' ' A' ' 66' ' ' LEU . 32.2 Cg_exo -59.14 -37.93 89.41 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.579 2.186 . . . . 0.0 112.161 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.33 -21.34 66.25 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.413 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.22 -38.15 56.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.207 0.527 . . . . 0.0 110.105 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 HG21 ' A' ' 44' ' ' ILE . 1.7 mt -72.17 -41.81 66.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.495 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 m -59.11 -41.04 87.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.972 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.63 83.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.711 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.34 94.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 53' ' ' LEU . 98.3 t -69.64 -39.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.931 176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.11 -42.51 96.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.82 -17.13 76.59 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.222 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -6.01 46.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.09 -6.02 53.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.038 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 56.0 m-85 -103.82 -178.92 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 128.42 41.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.0 0.428 . . . . 0.0 110.636 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.88 27.66 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.357 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.61 133.74 31.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.562 0.22 . . . . 0.0 110.701 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -70.85 98.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.32 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.53 101.33 3.66 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.272 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.92 4.92 4.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.428 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.196 -0.907 . . . . 0.0 109.619 176.458 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.678 HG23 ' HG3' ' A' ' 50' ' ' PRO . 2.0 m -144.23 60.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.251 0.548 . . . . 0.0 110.035 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -105.56 120.21 41.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.543 0.687 . . . . 0.0 110.779 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 50' ' ' PRO . 4.6 mt -105.92 155.38 19.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.835 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.73 129.47 44.76 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.17 148.27 5.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.877 0.37 . . . . 0.0 110.353 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -147.11 159.99 42.95 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.71 -49.08 1.45 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.526 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.565 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtm -153.65 97.22 2.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.506 . . . . 0.0 109.824 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.48 -24.03 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.581 -172.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 161.04 3.62 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -44.12 -51.12 8.26 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -172.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -27.6 56.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.791 0.329 . . . . 0.0 111.737 -169.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -83.38 -41.81 17.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.991 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.94 49.18 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.576 0.703 . . . . 0.0 110.283 174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.98 -38.54 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.501 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -65.06 -40.01 94.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.302 170.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.25 -40.54 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.711 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -38.57 88.86 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -49.28 72.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.47 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' HD21 ' A' ' 60' ' ' LEU . . . -60.08 -40.92 91.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.064 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.87 -45.31 82.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -70.29 -17.89 63.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.455 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -14.95 61.37 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.99 0.424 . . . . 0.0 109.974 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 90.6 t -83.53 123.28 76.75 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.1 Cg_exo -79.23 44.71 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.007 2.472 . . . . 0.0 113.232 -174.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.85 -4.33 5.2 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 169.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 44' ' ' ILE . 75.0 t -96.11 126.21 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.409 -0.896 . . . . 0.0 110.993 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -87.81 -43.76 11.61 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 m -160.81 163.48 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.007 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.58 121.68 13.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.913 0.387 . . . . 0.0 111.01 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.53 89.14 3.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.23 0.538 . . . . 0.0 109.901 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.85 119.09 37.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.885 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.02 102.52 13.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.146 177.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -61.53 -49.88 85.1 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 12.3 Cg_exo -71.14 10.63 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.284 1.989 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -8.81 3.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.949 0.404 . . . . 0.0 110.441 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 60.83 33.09 81.77 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.957 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 142.15 51.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.961 0.41 . . . . 0.0 111.6 -177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.58 100.36 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.228 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -85.11 93.73 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -94.81 134.86 36.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.214 0.53 . . . . 0.0 111.654 -174.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.92 1.74 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.972 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 28' ' ' VAL . 1.6 pt -96.91 160.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.175 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 47' ' ' GLY . 61.7 t -72.11 134.59 82.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.477 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.02 -17.42 19.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.146 2.564 . . . . 0.0 113.588 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -64.63 -30.6 78.35 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.677 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -171.82 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.838 175.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -150.14 141.61 14.98 Favored Pre-proline 0 N--CA 1.442 -0.867 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.144 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.678 ' HG3' HG23 ' A' ' 2' ' ' THR . 37.6 Cg_exo -60.01 -27.57 85.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.9 2.4 . . . . 0.0 112.972 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HA ' HD22 ' A' ' 66' ' ' LEU . 1.5 p30 -66.96 -21.84 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.805 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.75 -40.08 49.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.519 . . . . 0.0 110.469 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.27 -44.0 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.658 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.476 HG21 HD23 ' A' ' 66' ' ' LEU . 10.1 m -59.96 -41.1 91.21 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.123 175.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.03 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.868 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.12 90.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.478 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' LEU . 63.4 t -67.85 -41.95 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.86 82.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.595 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.41 -17.14 67.17 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.367 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -74.68 -14.05 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 178.428 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.69 -6.67 27.88 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.067 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -98.12 -170.04 1.91 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 5.2 tptt -131.07 133.12 45.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.75 0.31 . . . . 0.0 110.182 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.69 155.31 45.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.074 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 116.89 18.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.569 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -75.11 98.99 3.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.433 0.635 . . . . 0.0 109.374 176.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.06 86.59 1.86 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 -173.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -80.69 52.64 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.454 0.645 . . . . 0.0 110.811 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.463 177.314 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.477 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -106.59 -124.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.944 -178.15 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.917 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -86.58 156.44 20.05 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.126 -169.304 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD21 HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -118.45 -170.83 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.649 176.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -130.23 140.37 50.72 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 tt -111.52 137.95 42.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.54 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.12 -32.59 7.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.523 -177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.16 13.21 58.09 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.72 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -86.63 124.5 32.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.741 -0.27 . . . . 0.0 110.525 179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -13.76 16.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.147 0.499 . . . . 0.0 109.745 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 p 177.63 -121.07 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.889 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' HA ' ' HB3' ' A' ' 15' ' ' ALA . 15.7 t70 -113.64 -26.18 8.37 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.606 -0.437 . . . . 0.0 112.151 -167.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -51.68 68.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.349 0.595 . . . . 0.0 110.516 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -40.89 96.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.158 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . . . -76.45 46.89 0.45 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.137 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.36 -41.62 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.208 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -70.04 -41.01 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 57' ' ' VAL . 6.0 t -63.86 -42.84 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.328 175.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -60.38 -44.87 95.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.319 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 1.8 mt-10 -59.1 -50.41 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.53 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.25 96.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.17 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.96 -49.43 67.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.471 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.12 -11.79 60.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 111.181 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -74.97 -16.88 60.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.033 0.444 . . . . 0.0 110.184 170.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -85.06 124.31 72.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.38 58.11 5.02 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.995 2.463 . . . . 0.0 112.511 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.97 35.39 0.62 Allowed Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 44' ' ' ILE . 55.3 t -142.57 125.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.746 -0.727 . . . . 0.0 109.716 -170.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -94.49 -42.36 8.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -154.81 119.54 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.11 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -101.84 120.98 41.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.39 71.33 1.33 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.244 0.545 . . . . 0.0 110.679 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 1.9 t -71.56 114.98 10.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.794 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.11 112.24 23.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.986 0.422 . . . . 0.0 111.632 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -60.52 -43.3 92.29 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.677 177.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 25.9 Cg_endo -61.91 0.83 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 121.974 1.782 . . . . 0.0 113.554 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -24.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.727 177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' HA2' ' SD ' ' A' ' 9' ' ' MET . . . 78.82 19.82 72.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.786 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.77 140.99 48.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 -175.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -97.42 85.36 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.325 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 26.0 mt-30 -75.38 87.39 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.99 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -108.45 125.17 51.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.432 -175.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.45 78.59 7.11 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.681 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.82 153.95 3.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.147 -178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.01 137.55 69.18 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.233 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.09 123.12 12.72 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.874 2.382 . . . . 0.0 111.82 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.3 -36.85 2.39 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.92 110.44 17.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.96 0.41 . . . . 0.0 110.193 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 5.8 p -74.47 140.79 75.89 Favored Pre-proline 0 N--CA 1.446 -0.67 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.603 -176.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 31.7 Cg_exo -59.02 -26.9 83.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 112.328 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.66 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.49 59.56 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.499 0.666 . . . . 0.0 109.856 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.532 HD22 HD21 ' A' ' 4' ' ' LEU . 3.4 mp -72.22 -45.03 61.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.121 178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -57.54 -42.86 83.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.897 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.74 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.008 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.68 88.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.97 -37.71 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.052 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.49 -40.04 95.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.396 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.05 -9.63 80.05 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.607 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.31 -13.61 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.94 0.4 . . . . 0.0 111.33 177.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.86 -4.25 19.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.942 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -118.93 -163.3 0.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 152.6 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 -177.86 6.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.343 0.592 . . . . 0.0 111.642 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.23 -159.1 0.99 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.23 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.04 147.84 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.378 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.29 68.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.738 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -68.81 87.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.916 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.351 176.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.955 ' HA ' HD11 ' A' ' 44' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.524 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 52.94 -124.87 2.35 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 124.233 0.958 . . . . 0.0 112.129 176.101 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.524 ' H ' ' HB ' ' A' ' 2' ' ' THR . 18.9 m80 -94.44 135.77 35.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.096 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -138.42 138.65 38.38 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -80.21 126.6 31.31 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -93.56 143.73 10.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.59 152.82 45.77 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 -46.75 1.12 Allowed Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.513 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -169.67 141.02 2.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.787 HG21 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.89 -53.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -33.55 -52.25 0.39 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -164.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -172.88 153.13 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.993 0.361 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m 74.12 -52.39 0.69 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.701 . . . . 0.0 112.537 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -52.97 62.01 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.1 51.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.397 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.238 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.01 -33.86 75.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 167.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.9 -39.22 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.29 172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 6.7 tttm -63.83 -38.32 90.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.007 176.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -50.01 74.5 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.075 0.464 . . . . 0.0 110.383 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.94 -35.73 81.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.753 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.84 HD11 HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.86 -47.49 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 175.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.74 -13.98 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.926 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 24' ' ' LYS . 1.1 ttmm -73.56 -13.57 61.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.287 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.71 122.98 78.7 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -79.81 48.81 2.98 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.635 2.223 . . . . 0.0 113.449 -173.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.59 10.12 1.45 Allowed Glycine 0 C--N 1.314 -0.652 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 44' ' ' ILE . 42.6 t -96.69 122.51 48.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.245 -174.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -44.35 11.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.012 0.434 . . . . 0.0 109.872 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -154.73 122.2 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.531 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.38 78.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.241 0.544 . . . . 0.0 110.004 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.4 84.09 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 40' ' ' ALA . 2.1 t -72.29 131.5 34.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.752 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -97.78 91.76 5.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.299 0.571 . . . . 0.0 110.167 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.644 ' HD1' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -57.86 -51.38 82.17 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.442 -178.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.644 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 7.2 Cg_exo -74.4 16.62 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.734 2.289 . . . . 0.0 112.919 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.65 -32.08 1.31 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.41 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.787 ' HA2' HG21 ' A' ' 10' ' ' THR . . . 92.29 15.89 51.97 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.234 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 165.62 20.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -125.78 131.67 52.43 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.569 0.224 . . . . 0.0 110.631 177.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.6 91.1 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 4' ' ' LEU . 1.2 mp -101.88 101.71 12.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.34 0.591 . . . . 0.0 110.801 -174.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.12 83.19 4.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.778 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.955 HD11 ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -91.79 167.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.649 177.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.24 146.94 82.41 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.189 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HD2' HG22 ' A' ' 45' ' ' VAL . 25.5 Cg_endo -61.89 95.84 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.806 2.338 . . . . 0.0 111.928 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.07 -35.85 0.45 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.08 125.58 24.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.842 0.353 . . . . 0.0 110.552 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 139.22 82.17 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_endo -65.04 -31.98 54.31 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.19 1.927 . . . . 0.0 111.995 -178.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -67.04 -18.3 65.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.852 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 -37.34 57.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.311 0.577 . . . . 0.0 110.188 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 22' ' ' LEU . 1.1 mp -75.19 -51.87 12.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.921 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -55.35 -45.2 76.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.353 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.19 78.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.07 99.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.744 0.306 . . . . 0.0 110.276 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -73.84 -40.81 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.442 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.1 78.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.341 0.591 . . . . 0.0 110.343 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.18 75.97 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.494 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -74.29 4.48 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.403 . . . . 0.0 111.22 176.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.42 24.09 44.79 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.513 ' HE1' ' HB2' ' A' ' 9' ' ' MET . 69.3 m-85 -132.35 -160.16 1.02 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -140.96 152.99 45.41 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 5' ' ' LYS . . . -152.04 154.71 36.51 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.554 176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.12 126.13 19.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.967 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -72.43 99.1 2.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.332 0.587 . . . . 0.0 111.435 -176.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -95.75 71.09 3.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.612 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -58.34 96.15 0.02 OUTLIER 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.147 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.72 -176.726 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.744 -0.095 . . . . 0.0 110.744 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.498 ' H ' ' HB3' ' A' ' 1' ' ' MET . 4.4 t -159.53 32.76 0.19 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.463 0.649 . . . . 0.0 111.859 -174.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -124.54 127.14 46.96 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.936 -0.477 . . . . 0.0 110.439 -177.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 66' ' ' LEU . 59.8 mt -120.51 151.38 39.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -111.48 124.18 51.75 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' A' ' 9' ' ' MET . 1.3 tt -89.71 114.43 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.422 0.63 . . . . 0.0 110.349 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -18.96 19.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.505 -174.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.58 -10.14 73.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.649 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.69 ' HB3' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.68 142.78 27.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.74 9.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.693 174.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 p 176.98 -169.94 0.07 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.797 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.77 -29.04 69.18 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -55.68 27.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.941 0.4 . . . . 0.0 111.96 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -40.54 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.737 0.303 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.43 45.78 0.4 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 0.0 111.517 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.4 -42.06 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.92 -33.67 76.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 170.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 5.4 t -68.59 -39.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.705 176.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -61.39 -44.77 96.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.62 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.79 -53.28 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.186 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.92 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.067 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -65.16 -54.53 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.77 -15.04 63.29 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.725 0.298 . . . . 0.0 111.407 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -24.97 59.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.174 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 42.6 t -81.68 124.88 79.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.6 Cg_exo -77.06 43.58 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.759 2.306 . . . . 0.0 113.12 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 -4.55 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.06 151.43 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.384 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.34 -30.71 1.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.98 0.419 . . . . 0.0 109.988 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.14 101.31 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.965 171.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.12 104.52 15.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.855 0.359 . . . . 0.0 110.559 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -108.83 93.34 4.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.245 0.545 . . . . 0.0 110.657 -176.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.63 114.27 30.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.129 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -93.5 117.77 30.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -69.59 -49.83 20.57 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -175.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.9 Cg_exo -70.18 9.9 0.61 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.143 1.896 . . . . 0.0 112.744 -176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 5.6 mmtp -134.37 -26.76 1.42 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.455 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.93 25.48 71.47 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.818 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -117.17 140.46 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.092 0.472 . . . . 0.0 111.315 -175.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.15 112.76 25.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.332 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -99.08 111.04 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -114.63 126.96 55.49 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.638 -170.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.3 77.82 1.83 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 168.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' H ' HG13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -93.44 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.332 -175.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.593 HG12 ' H ' ' A' ' 47' ' ' GLY . 92.6 t -73.5 141.07 79.46 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.619 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 45' ' ' VAL . 9.2 Cg_endo -52.89 -18.97 10.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.157 2.571 . . . . 0.0 113.683 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' HG12 ' A' ' 45' ' ' VAL . . . -92.17 37.17 3.44 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.41 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.51 125.18 14.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.959 0.409 . . . . 0.0 110.851 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.84 139.99 35.24 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.35 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' CB ' HD13 ' A' ' 66' ' ' LEU . 75.0 Cg_exo -56.13 -35.53 95.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 112.671 176.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.14 67.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.273 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.02 -38.57 52.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.304 0.573 . . . . 0.0 110.14 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 44' ' ' ILE . 1.1 mt -71.7 -43.13 66.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.24 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.9 m -57.73 -42.83 84.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.916 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.15 87.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.019 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.9 97.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -70.98 -42.53 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.268 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' HB1' ' HE2' ' A' ' 63' ' ' LYS . . . -63.82 -42.79 97.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.158 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.74 -22.26 79.15 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.588 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -3.63 31.11 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 111.059 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.4 -6.68 39.22 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.901 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 48.8 m-85 -101.38 -161.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -146.54 147.08 30.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.024 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.97 38.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.667 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.18 139.92 33.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.0 177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 4' ' ' LEU . 10.1 tp -75.29 83.94 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.695 0.76 . . . . 0.0 110.603 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.44 66.65 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.43 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' HA ' ' CB ' ' A' ' 3' ' ' HIS . 5.5 p-10 -81.65 -169.5 2.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.852 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.985 -176.41 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.456 0.17 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.54 60.2 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.745 0.307 . . . . 0.0 111.283 -174.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.402 ' HB3' ' H ' ' A' ' 69' ' ' ALA . 4.9 t60 -147.71 103.51 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.814 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -112.5 135.74 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 167.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 6.8 ttpt -96.96 127.74 43.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.708 0.29 . . . . 0.0 110.39 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 tp -84.37 123.93 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.55 -17.45 6.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.02 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.79 -28.58 68.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.165 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB3' ' CB ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -177.06 122.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -91.13 -33.59 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -172.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.84 157.87 4.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -172.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.643 ' HA ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -43.34 -57.34 3.07 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 113.502 -1.681 . . . . 0.0 114.436 -172.066 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -72.38 -33.2 67.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.945 0.403 . . . . 0.0 111.769 -172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 9' ' ' MET . 3.7 m -69.4 -49.01 59.27 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB3' ' HD1' ' A' ' 35' ' ' TYR . . . -76.56 50.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.41 0.624 . . . . 0.0 110.441 174.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.92 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.025 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -60.79 -36.31 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 166.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 HG22 ' A' ' 57' ' ' VAL . 79.8 t -65.03 -45.76 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.17 174.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.22 88.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.414 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.91 -50.7 65.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.194 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . . . -57.34 -42.39 81.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.78 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' HG ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.87 -39.78 91.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.38 -15.38 61.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 21' ' ' ALA . 5.5 mtpt -73.32 -18.44 61.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 109.854 173.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 12.5 t -85.64 123.03 73.11 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.49 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.0 Cg_exo -78.98 59.81 7.53 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.065 2.51 . . . . 0.0 112.289 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.61 48.53 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 44' ' ' ILE . 17.5 t -142.65 123.68 11.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.832 0.349 . . . . 0.0 110.278 -171.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.93 -33.38 11.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.119 0.485 . . . . 0.0 110.181 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -153.81 144.01 22.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.865 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.559 ' HA ' ' HG ' ' A' ' 42' ' ' LEU . . . -136.42 75.56 1.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.065 0.46 . . . . 0.0 110.024 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.19 82.21 7.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 110.674 -175.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.73 131.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.358 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.673 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -118.39 90.36 3.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.69 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -55.22 -55.36 40.32 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.609 -174.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 32.9 Cg_endo -63.91 -20.64 68.45 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.899 1.733 . . . . 0.0 112.598 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.673 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 4.9 mtpt -95.76 -9.16 32.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.405 -178.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.87 25.93 73.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.129 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.84 149.55 38.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.469 0.652 . . . . 0.0 112.151 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.648 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -130.1 98.7 4.82 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.703 170.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.13 88.94 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.719 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -105.73 114.88 29.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.503 -175.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.28 86.74 5.81 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -82.65 155.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.701 -175.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.0 t -76.71 132.28 72.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.433 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -52.26 132.03 42.3 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.645 2.23 . . . . 0.0 111.684 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.23 -37.42 2.77 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -170.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.61 178.23 8.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.873 -0.664 . . . . 0.0 109.669 170.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 49.5 m -151.7 143.34 15.92 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HA ' HD12 ' A' ' 53' ' ' LEU . 36.8 Cg_exo -56.9 -31.8 90.38 Favored 'Trans proline' 0 CA--C 1.518 -0.303 0 C-N-CA 122.759 2.306 . . . . 0.0 112.731 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -31.78 67.26 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.529 0.518 . . . . 0.0 110.235 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -30.86 57.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.4 mt -80.48 -48.45 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.081 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 m -54.86 -46.78 74.75 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.936 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.21 84.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.033 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -60.99 -40.06 92.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.564 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.9 t -74.23 -40.87 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.21 92.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.161 0.505 . . . . 0.0 110.392 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.99 -12.53 84.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.607 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -78.36 -0.6 29.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.6 -8.06 59.87 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.7 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.408 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 53.0 m-85 -101.85 -152.85 0.44 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -155.66 141.39 17.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.88 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.08 154.73 45.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.69 114.13 7.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.256 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -62.77 145.49 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.21 23.16 2.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.772 0.32 . . . . 0.0 110.282 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 31.42 87.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 125.172 1.545 . . . . 0.0 114.09 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 3' ' ' HIS . . . . . . . . 0 C--N 1.317 -0.832 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HG2' ' HG3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.78 26.78 2.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.748 0.309 . . . . 0.0 111.545 -175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.751 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . 5.2 t60 -152.52 100.69 2.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.02 0.438 . . . . 0.0 111.835 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.0 mt -117.65 152.77 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 170.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -112.76 136.71 52.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' MET . 3.6 tt -89.82 133.48 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.73 -26.36 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 0.0 111.447 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.28 74.76 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.208 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -171.85 -172.65 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 t -155.72 -41.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.86 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -61.21 -124.8 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -109.4 -82.27 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 120.821 -1.174 . . . . 0.0 113.179 -162.018 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -38.79 63.17 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.681 0.393 . . . . 0.0 111.955 -172.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -54.85 29.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.206 175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.54 49.65 0.62 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.38 0.609 . . . . 0.0 110.729 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.87 -41.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -70.54 -35.8 73.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.19 -37.52 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.831 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.649 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tttm -64.25 -39.52 94.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.995 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.78 -53.71 54.73 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.08 0.467 . . . . 0.0 110.107 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -60.6 -37.08 80.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.251 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.26 -47.67 75.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.87 -15.71 62.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.654 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.33 -25.82 59.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.114 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 55.1 t -71.37 123.79 89.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.928 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 24.1 Cg_exo -64.27 132.62 34.51 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.38 2.053 . . . . 0.0 111.65 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.09 -18.72 23.52 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -173.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 44' ' ' ILE . 69.1 t -95.31 121.79 46.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.069 -0.565 . . . . 0.0 110.167 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.491 HE21 ' HB2' ' A' ' 29' ' ' GLN . 3.4 mt-30 -96.54 -44.6 7.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 0.0 110.732 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.42 136.5 15.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.169 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -114.58 109.29 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.155 0.502 . . . . 0.0 110.516 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -97.98 73.97 2.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.625 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.43 116.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.08 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.51 83.03 4.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.477 177.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.86 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -54.77 -50.19 87.28 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.068 -174.048 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 41.9 Cg_endo -68.15 9.97 0.35 Allowed 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.007 1.804 . . . . 0.0 113.617 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -133.35 -5.86 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.714 0.293 . . . . 0.0 110.36 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.88 23.09 70.79 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.689 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 144.78 40.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.537 . . . . 0.0 111.612 -176.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.47 101.61 9.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.186 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.19 129.79 34.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.21 128.79 38.69 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.972 -174.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.94 82.29 2.97 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.623 HG21 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -100.29 170.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.201 -176.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.448 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 74.8 t -74.56 122.25 87.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.027 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 45' ' ' VAL . 9.8 Cg_endo -53.51 103.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.104 2.536 . . . . 0.0 111.915 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.26 -31.94 1.4 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.311 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -71.61 118.77 14.86 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.75 138.98 88.28 Favored Pre-proline 0 N--CA 1.442 -0.826 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.475 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 26.8 Cg_endo -62.04 -19.15 65.21 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.528 2.152 . . . . 0.0 112.191 -178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.74 74.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.083 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.43 -36.5 60.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG21 ' A' ' 44' ' ' ILE . 1.2 mp -72.71 -45.16 60.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.493 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 93.6 m -57.55 -42.88 83.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.924 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.92 79.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.95 94.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.9 t -68.67 -34.89 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.872 177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.02 -48.14 74.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.251 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.21 -13.03 73.01 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.331 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.27 -10.76 59.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.006 0.432 . . . . 0.0 110.618 174.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.01 10.64 45.33 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -120.37 -150.78 0.46 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -155.28 135.84 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -119.72 166.73 12.84 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.71 122.55 21.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.51 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.96 122.74 24.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.0 110.288 178.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.86 64.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.943 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.751 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 29.7 t70 -54.87 146.64 16.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.866 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.005 -178.544 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.819 0.342 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 50' ' ' PRO . 0.2 OUTLIER 59.02 65.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 175.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.874 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 1.2 m-70 -123.86 96.2 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 167.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 HD22 ' A' ' 42' ' ' LEU . 1.8 mm? -82.37 122.35 27.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.442 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 138.05 32.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 tp -98.41 140.36 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.183 0.516 . . . . 0.0 110.541 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.01 -9.44 2.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.659 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -82.48 55.7 4.98 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtm 78.18 124.3 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 124.777 0.928 . . . . 0.0 109.954 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.615 HG22 ' HA2' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -88.45 -21.64 24.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.292 -171.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 159.38 4.12 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 1.5 p-10 -52.69 -58.28 7.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.237 -1.347 . . . . 0.0 113.649 -172.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -45.81 64.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.77 -49.81 42.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.483 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.79 49.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.284 0.564 . . . . 0.0 111.124 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . . . -161.59 -41.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -68.56 -36.48 78.85 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 109.387 171.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.19 -39.81 85.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.066 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -61.63 -38.11 86.45 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.992 176.166 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 35.8 mt-10 -60.66 -52.24 65.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' CB ' HD21 ' A' ' 60' ' ' LEU . . . -62.7 -35.75 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 110.943 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 42' ' ' LEU . 33.8 mt -66.51 -52.57 44.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.475 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 4.6 mt-10 -72.91 -11.53 60.62 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.744 0.307 . . . . 0.0 111.407 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -73.74 -23.89 59.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.2 t -73.07 123.05 89.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.15 44.14 1.66 Allowed 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.574 2.182 . . . . 0.0 113.486 -172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.02 1.8 5.07 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.44 HG22 HG22 ' A' ' 44' ' ' ILE . 77.5 t -96.44 134.2 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.686 -0.757 . . . . 0.0 110.666 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -44.63 7.68 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 m -156.14 126.96 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.461 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.2 100.25 9.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.924 0.392 . . . . 0.0 109.956 175.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mt -100.08 84.31 2.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.084 0.469 . . . . 0.0 110.646 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -79.46 136.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.16 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.56 96.55 5.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.533 175.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -56.98 -51.96 77.71 Favored Pre-proline 0 CA--C 1.539 0.54 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 35.2 Cg_endo -66.09 -20.86 56.64 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 121.799 1.666 . . . . 0.0 112.883 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.38 -19.59 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.642 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 70.12 27.75 72.53 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.407 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.23 146.78 51.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 111.565 -175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -115.69 108.77 16.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.539 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -79.34 80.37 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 53' ' ' LEU . 1.5 mp -86.93 103.28 15.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.868 -177.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.11 79.4 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.483 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG13 ' HB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -89.87 157.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.859 178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.44 133.57 91.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.202 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.25 111.94 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.211 2.607 . . . . 0.0 112.394 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.02 -36.97 1.91 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.566 ' HB ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -77.18 109.81 11.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 175.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.52 130.55 90.54 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.33 -176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.816 ' HA ' HD12 ' A' ' 53' ' ' LEU . 53.1 Cg_exo -56.08 -30.08 77.29 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.744 2.296 . . . . 0.0 112.572 175.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.15 -27.3 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 110.446 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.98 -33.11 59.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.452 0.644 . . . . 0.0 110.016 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.2 mt -75.1 -41.72 58.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.12 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -58.28 -44.39 88.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.114 173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.95 84.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.652 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.31 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.757 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 53' ' ' LEU . 48.3 t -72.4 -38.65 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.386 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.89 87.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 110.25 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.2 -13.51 82.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.495 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.72 -7.88 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.061 0.458 . . . . 0.0 110.612 175.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.62 10.25 50.76 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.557 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.708 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 57.0 m-85 -119.89 -154.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.41 135.61 21.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.828 0.347 . . . . 0.0 111.185 -177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.12 163.19 37.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.543 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.37 141.45 21.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.793 0.33 . . . . 0.0 111.164 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -75.77 104.28 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.305 177.306 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.54 80.19 1.39 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.416 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.874 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -76.87 144.74 38.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.611 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.493 175.378 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.445 ' HB3' ' H ' ' A' ' 2' ' ' THR . 1.7 mpp? . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -96.1 6.33 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.123 0.487 . . . . 0.0 111.543 -177.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.871 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m170 -124.08 135.88 53.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -135.98 174.04 11.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -119.16 135.78 54.5 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.935 0.398 . . . . 0.0 110.83 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.94 134.8 34.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -14.71 3.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' ' 62' ' ' TYR . . . -72.58 -27.42 69.43 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.461 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.468 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -178.25 128.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -115.46 -59.25 2.03 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -34.12 -55.11 0.5 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 -164.287 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.26 172.17 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m 70.44 -67.01 0.26 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.641 0.588 . . . . 0.0 111.398 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -58.23 -49.39 77.26 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.04 50.79 0.62 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.324 0.583 . . . . 0.0 110.806 176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.09 -43.92 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -68.07 -34.41 76.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 169.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.33 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.244 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -62.33 -39.42 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.907 175.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.83 -52.05 67.09 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 24' ' ' LYS . . . -59.66 -37.99 80.22 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.116 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 53' ' ' LEU . 29.9 mt -64.56 -47.79 77.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.21 -6.64 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.18 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 3.4 tttt -73.78 -28.28 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.0 t -74.89 131.41 79.19 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.12 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.71 146.2 78.01 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.333 2.022 . . . . 0.0 112.408 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 97.47 -13.74 63.99 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -175.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' A' ' 44' ' ' ILE . 51.2 t -95.04 112.55 27.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 1.6 tt0 -87.06 -54.32 4.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.819 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m -154.15 116.36 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -96.55 111.98 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -104.09 93.33 4.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.74 127.89 45.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.231 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 m -94.81 101.6 13.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.678 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.91 -55.77 40.21 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 14.49 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.839 1.693 . . . . 0.0 113.005 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -133.25 -10.34 2.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 10' ' ' THR . . . 66.06 16.84 64.88 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 113.421 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.61 135.76 45.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.938 0.399 . . . . 0.0 111.441 -175.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.02 104.04 12.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.5 80.02 2.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.653 178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.31 127.09 39.97 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -176.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 29' ' ' GLN . . . -84.33 81.55 8.77 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -92.52 149.69 4.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.38 177.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 27' ' ' GLY . 1.5 t -74.97 136.47 73.28 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' HG12 ' A' ' 45' ' ' VAL . 9.3 Cg_endo -52.67 -11.78 1.48 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.869 3.046 . . . . 0.0 114.856 -174.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.23 -23.1 78.17 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.46 177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -85.5 -172.59 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.753 0.311 . . . . 0.0 110.682 178.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.25 136.24 10.28 Favored Pre-proline 0 N--CA 1.439 -1.021 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.584 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.797 ' HB2' HD11 ' A' ' 66' ' ' LEU . 75.9 Cg_exo -54.25 -30.08 60.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.476 2.784 . . . . 0.0 113.501 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.01 -32.37 67.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.541 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.4 60.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.203 0.525 . . . . 0.0 110.308 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.662 HD23 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.17 -46.35 42.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.784 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -57.88 -43.86 86.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.301 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.08 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.15 92.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.682 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.4 t -70.8 -39.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.394 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -64.53 -44.35 91.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 -13.61 79.57 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.494 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -74.66 -3.48 31.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.647 174.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.54 3.0 59.89 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.858 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 61.1 m-85 -116.93 -175.64 2.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' H ' ' HA3' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -116.4 142.08 47.32 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.734 0.302 . . . . 0.0 110.97 -178.139 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.61 153.12 39.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.88 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.75 138.93 43.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.457 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -70.23 108.07 4.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.608 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -153.16 107.83 3.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.495 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.871 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 6.4 m-20 -67.48 -42.58 82.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.339 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.721 178.28 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.68 4.48 5.03 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.776 ' HB2' ' HA ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -133.48 151.52 51.78 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.021 174.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 4' ' ' LEU . 2.8 mm? -104.5 154.9 19.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.411 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -112.16 123.44 50.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -86.64 140.29 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.478 -176.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.86 -39.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.68 73.05 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.083 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -173.04 125.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -178.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -50.26 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -165.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -59.15 -120.65 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -169.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 41.0 t0 -104.22 169.75 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.777 -0.577 . . . . 0.0 109.93 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 71.23 -55.66 0.65 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.546 0.739 . . . . 0.0 110.922 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.9 -52.91 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.282 176.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.86 49.04 0.51 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.219 0.533 . . . . 0.0 110.748 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.06 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.234 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -62.43 -35.79 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.355 0.598 . . . . 0.0 109.668 173.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 57' ' ' VAL . 31.1 t -67.22 -39.32 82.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.693 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -62.91 -40.51 97.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.914 177.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -65.18 -44.53 88.15 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -59.43 -43.79 93.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.386 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -65.59 -42.91 91.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.555 177.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.31 -27.53 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 111.05 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -18.34 60.67 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ALA . 28.0 t -85.88 127.77 60.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 33.1 Cg_exo -61.57 144.03 97.38 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.654 2.236 . . . . 0.0 112.636 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 45' ' ' VAL . . . 91.8 -3.08 77.49 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG22 HG22 ' A' ' 44' ' ' ILE . 54.3 t -95.21 99.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -45.33 38.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.427 -178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.79 160.62 42.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.597 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -128.97 148.02 50.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.978 0.418 . . . . 0.0 110.928 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -132.0 85.85 2.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.823 178.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.42 131.25 43.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.66 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.29 106.63 14.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.105 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.671 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -63.86 -49.12 77.21 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.317 -176.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 35' ' ' TYR . 60.1 Cg_endo -72.24 15.64 0.4 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.219 1.946 . . . . 0.0 113.177 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -134.41 -39.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.9 0.381 . . . . 0.0 110.362 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.87 20.77 38.55 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.589 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.06 129.86 45.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 111.272 -177.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.2 78.96 1.16 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.951 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 3.4 mt-30 -78.3 151.07 33.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.49 142.48 23.94 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.322 0.582 . . . . 0.0 111.77 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.15 80.3 1.83 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.01 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 28' ' ' VAL . 2.2 pt -93.35 -165.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.521 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.815 HG12 ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -159.59 148.74 14.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HD2' HG12 ' A' ' 45' ' ' VAL . 3.7 Cg_exo -39.99 118.66 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.956 3.104 . . . . 0.0 112.793 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.67 -42.17 1.39 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.04 95.16 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.519 0.676 . . . . 0.0 109.852 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -64.27 139.04 97.61 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.239 -177.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 32.2 Cg_exo -58.68 -34.46 98.93 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.295 1.997 . . . . 0.0 112.14 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -29.58 70.27 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.34 58.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.398 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -71.54 -52.98 15.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.558 0.694 . . . . 0.0 109.419 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.6 m -56.29 -44.14 79.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.318 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.36 77.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.245 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.822 0.344 . . . . 0.0 110.457 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 53' ' ' LEU . 41.8 t -74.88 -40.63 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.174 176.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.92 95.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.329 0.585 . . . . 0.0 110.249 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.96 81.31 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.285 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.89 -0.29 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.775 174.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.93 2.5 69.11 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.759 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -108.94 -165.43 1.02 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 19.4 tptm -144.95 127.49 16.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.866 0.365 . . . . 0.0 110.322 178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' HB2' HG11 ' A' ' 57' ' ' VAL . . . -137.39 165.45 26.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.964 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.96 142.38 44.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.648 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.23 103.38 5.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.145 0.498 . . . . 0.0 110.036 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.13 110.74 2.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.598 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -79.35 -165.41 0.77 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.462 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.263 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.54 0.21 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.52 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -81.91 99.31 8.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.24 0.543 . . . . 0.0 111.594 -174.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.54 120.67 42.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 177.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.752 ' HG ' ' HB3' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -135.66 149.57 49.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.752 0.311 . . . . 0.0 110.313 176.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 137.75 33.17 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.398 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mm -95.92 141.44 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.876 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.23 137.34 32.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.132 -176.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.79 -48.26 0.96 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.729 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.525 ' HG2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.97 97.58 1.82 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -97.67 -14.99 20.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -170.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 158.02 3.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -48.21 -49.53 32.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.011 -0.995 . . . . 0.0 113.555 -170.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -48.68 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 111.696 -176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' SG ' ' HG2' ' A' ' 9' ' ' MET . 1.7 m -73.47 -40.04 64.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.356 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.18 43.07 0.28 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.462 0.648 . . . . 0.0 110.944 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.32 -33.41 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.935 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -33.33 75.6 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 168.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 57' ' ' VAL . 54.7 t -62.69 -42.58 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.531 172.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.723 ' HG3' ' HB3' ' A' ' 31' ' ' ALA . 10.9 ttpp -63.61 -38.7 92.12 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.038 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.02 -48.29 82.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.031 0.443 . . . . 0.0 110.452 176.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.05 96.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.867 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -66.23 -35.25 79.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.889 177.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' HG11 ' A' ' 28' ' ' VAL . 11.8 mt-10 -70.07 -22.47 63.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.108 0.48 . . . . 0.0 110.409 177.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -18.93 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.944 174.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -83.53 123.31 76.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.14 44.2 1.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.458 2.105 . . . . 0.0 113.122 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.65 20.02 2.57 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -95.08 156.28 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.682 -0.759 . . . . 0.0 111.28 -174.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 6.2 mt-30 -134.31 -43.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 174.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 16.5 m -153.5 155.39 36.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.623 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.723 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . . . -152.58 83.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.033 0.444 . . . . 0.0 110.682 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -91.42 77.72 5.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.194 0.521 . . . . 0.0 111.087 -176.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.671 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.3 t -80.59 110.09 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.982 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.86 122.62 44.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 111.607 -175.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -68.43 -43.37 31.67 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.216 177.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.54 8.97 0.46 Allowed 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.259 1.973 . . . . 0.0 113.038 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 -34.23 0.72 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.002 0.429 . . . . 0.0 110.27 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.27 19.28 59.12 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.439 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 p -116.67 127.69 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 111.329 -173.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.752 ' HB3' ' HG ' ' A' ' 4' ' ' LEU . . . -90.14 103.25 15.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.93 82.49 8.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.359 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -93.26 150.34 20.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.443 0.639 . . . . 0.0 111.135 -176.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -132.32 79.16 1.84 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.245 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.607 HD13 ' HB ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -90.64 165.56 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.217 175.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.97 138.87 82.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -58.39 100.34 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.098 2.532 . . . . 0.0 111.841 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.85 -27.73 0.59 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.607 ' HB ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -82.06 124.86 30.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.156 -0.522 . . . . 0.0 109.816 173.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -75.07 136.9 72.66 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 -176.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 34.8 Cg_exo -58.56 -31.6 94.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.013 2.476 . . . . 0.0 112.812 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.11 -22.44 66.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.49 60.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.178 0.513 . . . . 0.0 109.917 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 57' ' ' VAL . 5.0 mp -72.75 -46.89 51.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.224 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -61.66 -40.62 95.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.273 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.55 90.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.633 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.44 99.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.475 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' LEU . 43.2 t -70.9 -44.45 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.372 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -61.61 -45.08 95.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 110.644 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.14 -17.24 78.62 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -72.97 -21.9 60.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.79 0.329 . . . . 0.0 110.406 177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.78 -16.31 7.85 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.72 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 32.3 m-85 -97.62 -177.16 3.7 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.88 142.93 49.22 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.22 157.51 46.49 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.22 128.98 21.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.928 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -67.05 125.49 26.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.282 -179.084 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.1 67.57 1.24 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.05 134.56 49.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.243 -173.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.821 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.537 -178.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.479 ' H ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -98.98 17.9 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -175.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 7.7 m-70 -123.35 141.67 51.75 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -118.98 161.23 20.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.232 0.539 . . . . 0.0 111.398 -174.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HG3' ' OXT' ' A' ' 69' ' ' ALA . 1.7 ttmm -103.44 129.61 50.6 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.108 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.542 HD11 HG11 ' A' ' 18' ' ' VAL . 1.2 tp -74.88 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 165.65 27.79 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.45 -22.67 35.97 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.928 -1.13 . . . . 0.0 111.782 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.52 176.53 12.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.24 17.18 3.43 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -162.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB2' ' H ' ' A' ' 12' ' ' ASP . 1.6 p -177.2 -164.46 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 11' ' ' CYS . 17.1 t70 -44.52 -69.37 0.14 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 113.267 -1.788 . . . . 0.0 115.596 -162.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -41.12 65.45 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.442 0.639 . . . . 0.0 111.992 -169.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -46.54 54.03 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.387 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.77 47.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.141 0.496 . . . . 0.0 111.132 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 -48.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.425 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -35.7 79.76 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 6' ' ' ILE . 4.7 t -63.66 -44.7 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.82 176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -62.86 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.883 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.98 -55.24 37.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.291 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.813 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -65.44 -34.83 79.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.161 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 53' ' ' LEU . 11.3 mt -65.49 -45.14 84.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.593 177.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -73.61 -11.56 60.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.642 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 15.4 tttt -73.69 -27.49 61.25 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.815 170.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 48.0 t -81.05 129.53 66.92 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.651 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 14.8 Cg_exo -67.81 141.32 53.74 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.609 2.206 . . . . 0.0 112.114 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.68 -26.3 14.79 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -86.72 107.47 16.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.105 -0.547 . . . . 0.0 110.149 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -86.71 -38.49 16.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 0.0 110.399 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.4 152.54 30.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -138.56 96.47 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 79.94 9.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.4 0.619 . . . . 0.0 110.129 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -80.57 144.82 10.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.562 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.92 108.61 14.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.984 178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.433 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -59.1 -55.61 44.62 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -75.74 43.09 1.03 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.498 2.132 . . . . 0.0 113.261 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -167.95 -33.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.228 0.537 . . . . 0.0 110.087 176.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.31 34.52 10.48 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.502 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.831 HG23 ' HA ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -101.09 145.75 28.35 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -177.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.88 92.23 3.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.286 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.3 81.06 6.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.541 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -88.93 146.83 24.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.452 0.644 . . . . 0.0 111.646 -174.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.52 80.72 1.38 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.74 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.33 160.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.944 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.874 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -75.21 153.84 86.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' A' ' 45' ' ' VAL . 19.4 Cg_endo -58.45 -24.13 67.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.837 2.358 . . . . 0.0 113.167 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.732 ' H ' HG13 ' A' ' 45' ' ' VAL . . . -78.31 -11.75 85.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.874 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.21 175.31 9.03 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.151 0.5 . . . . 0.0 110.781 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -151.04 141.72 14.81 Favored Pre-proline 0 N--CA 1.442 -0.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.116 -176.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.9 Cg_exo -60.72 -26.52 83.14 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.798 2.332 . . . . 0.0 113.117 -175.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.53 -27.77 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.775 0.321 . . . . 0.0 110.287 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.47 60.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.423 0.63 . . . . 0.0 109.915 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -44.58 53.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.222 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.971 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.2 m -57.37 -45.02 84.84 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.769 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -36.5 82.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.58 -46.44 79.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.737 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 53' ' ' LEU . 35.3 t -70.34 -35.06 60.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.684 0.278 . . . . 0.0 110.3 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.57 94.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.202 0.525 . . . . 0.0 110.326 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.81 -15.63 80.39 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.067 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -73.66 -10.0 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 111.274 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.11 -4.95 35.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.475 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -115.73 -144.76 0.39 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.52 28.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.823 0.344 . . . . 0.0 110.154 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.971 ' HB3' ' HA ' ' A' ' 54' ' ' THR . . . -129.52 129.26 44.29 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -121.23 103.65 9.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.914 0.388 . . . . 0.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.885 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.06 109.14 3.84 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.542 0.686 . . . . 0.0 111.064 -178.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.62 14.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.271 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 3' ' ' HIS . 0.1 OUTLIER 50.01 92.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.494 -177.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.831 ' HA ' HG23 ' A' ' 39' ' ' THR . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.703 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.494 ' HB ' ' H ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -144.5 -149.21 0.26 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.894 -175.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' H ' ' HB ' ' A' ' 2' ' ' THR . 18.4 p-80 -84.47 164.79 18.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB3' HD22 ' A' ' 66' ' ' LEU . 1.1 pp -129.81 163.71 25.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 126.69 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.459 -179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 10' ' ' THR . 2.3 tt -82.48 141.08 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.17 -40.24 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.81 -23.82 71.05 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.743 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -174.51 100.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.63 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -74.74 -25.82 59.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.775 -176.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 158.85 4.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -176.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.76 165.92 11.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.186 -1.37 . . . . 0.0 110.913 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.7 m 80.43 -56.49 0.34 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.988 0.915 . . . . 0.0 109.586 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -47.43 75.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 169.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 59.07 1.11 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.09 -46.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.942 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -63.28 -29.49 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.638 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.94 -43.93 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.405 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 4.3 tttm -59.19 -45.7 90.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.869 177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.45 -51.3 68.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.644 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.96 79.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.166 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -47.47 75.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.971 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.6 -20.7 66.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.0 111.139 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -20.81 60.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.351 174.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -85.1 127.77 62.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.64 143.62 99.61 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.615 2.21 . . . . 0.0 112.206 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.69 -19.8 46.18 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -174.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.3 t -94.62 128.52 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.286 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -51.76 4.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.631 0.253 . . . . 0.0 110.53 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -157.73 158.46 35.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.787 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.596 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -130.56 122.5 27.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.601 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 4.5 tp -100.53 85.31 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.371 0.605 . . . . 0.0 109.808 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -81.14 130.54 35.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.152 -176.642 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.54 115.41 11.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 177.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -65.16 -41.25 51.63 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 94.6 Cg_exo -45.54 -40.81 18.37 Favored 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 122.143 1.895 . . . . 0.0 113.348 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.01 -22.33 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.992 178.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.56 19.32 66.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.303 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.76 147.94 43.34 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.336 0.589 . . . . 0.0 111.841 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -106.16 100.39 9.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.648 174.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 6.3 tp60 -73.97 90.86 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 109.807 -177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.82 132.95 39.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.469 0.652 . . . . 0.0 112.037 -171.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.59 83.66 2.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.783 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -97.65 156.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.27 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.21 134.93 93.49 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.906 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -39.72 124.3 1.32 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.447 2.765 . . . . 0.0 112.095 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.35 -133.58 11.7 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -168.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 m 54.64 104.2 0.01 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.507 0.67 . . . . 0.0 111.78 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.56 125.63 53.61 Favored Pre-proline 0 N--CA 1.445 -0.685 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.879 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 29.3 Cg_endo -62.92 -29.99 76.56 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.503 2.136 . . . . 0.0 112.011 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.81 -22.87 66.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.491 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.22 -39.85 59.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.12 0.486 . . . . 0.0 110.328 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.2 mp -69.66 -49.03 57.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -57.53 -41.71 81.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.526 177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.33 79.88 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.27 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.455 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' LEU . 13.9 t -71.39 -44.42 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.19 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.62 89.77 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.986 0.422 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 -22.97 78.48 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.963 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD12 ' HE1' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -73.32 -20.52 60.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.219 175.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.74 -21.44 11.36 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.026 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' HE1' HD12 ' A' ' 60' ' ' LEU . 3.8 m-85 -87.89 130.19 34.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -76.04 131.44 39.51 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 161.95 36.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.26 125.56 24.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.032 175.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -66.66 124.58 23.26 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.085 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.47 98.93 3.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -33.24 38.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.721 -174.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.256 -178.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.648 0.261 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.0 p -116.32 -122.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 111.256 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 12.7 p80 -76.16 -174.18 2.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.645 -174.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.717 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.64 172.5 12.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.305 -179.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HG2' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -109.2 146.96 33.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG21 ' HB2' ' A' ' 9' ' ' MET . 1.3 tp -108.74 155.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 120.721 0.296 . . . . 0.0 110.543 -175.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -137.51 106.51 5.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.344 0.592 . . . . 0.0 110.551 -177.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.08 -31.79 2.75 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.678 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -77.74 125.19 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.781 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.67 -7.62 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -167.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p 179.71 -52.25 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.02 166.56 3.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 m 73.27 -61.17 0.51 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.334 0.654 . . . . 0.0 111.486 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -47.44 85.61 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 173.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' ' 9' ' ' MET . . . -77.57 56.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.567 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.92 -44.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.466 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -58.86 -41.55 87.3 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.528 0.68 . . . . 0.0 109.311 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.06 -47.32 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.188 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -64.94 -35.17 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.579 -179.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -52.17 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.949 0.404 . . . . 0.0 110.074 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.71 92.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.676 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.785 HD22 HD23 ' A' ' 53' ' ' LEU . 15.7 mt -65.7 -48.43 72.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.489 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.618 ' HG2' HG11 ' A' ' 28' ' ' VAL . 25.7 mt-10 -75.45 -11.31 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.752 0.311 . . . . 0.0 111.426 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -73.09 -25.5 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 t -81.34 125.16 79.68 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.15 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 141.18 65.41 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.66 2.24 . . . . 0.0 112.132 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.55 5.51 16.2 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.39 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 23' ' ' GLU . 97.9 t -95.22 148.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.321 . . . . 0.0 110.146 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.04 -37.85 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.81 127.56 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.268 174.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' O ' ' HE2' ' A' ' 19' ' ' LYS . . . -122.16 83.72 2.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.507 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 1.4 mt -87.94 77.61 8.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.48 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -76.82 117.49 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 98.85 11.2 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.708 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -59.21 -54.17 58.96 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.996 -173.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 13.6 Cg_exo -69.98 -17.11 36.78 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.145 1.897 . . . . 0.0 112.682 -176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -95.47 -34.83 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.911 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 26.32 33.31 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.758 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -117.36 141.95 47.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.713 0.292 . . . . 0.0 110.938 -179.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . -115.09 96.16 5.55 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.83 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 10.3 mm100 -78.53 82.02 4.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.356 0.598 . . . . 0.0 109.496 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD11 HD13 ' A' ' 22' ' ' LEU . 1.2 mt -95.48 118.07 31.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.149 -175.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.61 2.45 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.686 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -87.1 145.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.633 179.332 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.86 127.91 86.16 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -44.02 115.87 0.83 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.264 2.643 . . . . 0.0 112.553 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.75 -38.2 1.15 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -171.6 3.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.625 169.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.26 143.01 15.78 Favored Pre-proline 0 C--N 1.316 -0.867 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.306 -178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 39.1 Cg_exo -61.13 -26.96 83.41 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.502 2.135 . . . . 0.0 112.143 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.81 -33.11 71.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.05 174.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.88 58.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.519 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.785 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -72.79 -45.58 57.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.527 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -59.07 -43.15 91.75 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.268 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.77 84.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.985 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.93 96.42 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 53' ' ' LEU . 45.2 t -70.67 -40.86 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.26 96.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.584 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.61 -16.15 76.29 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.285 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -75.49 1.98 12.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.35 . . . . 0.0 111.23 176.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 6.28 66.21 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.102 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -109.57 -161.1 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -135.89 139.98 43.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.939 178.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.94 150.66 35.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.642 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 109.32 6.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.499 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HA ' ' HB3' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -55.31 128.77 35.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -151.43 109.23 3.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.466 . . . . 0.0 110.342 -172.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -51.01 17.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.678 -177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.855 -178.301 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.68 151.77 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.7 -174.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -123.87 127.41 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.88 165.44 11.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.12 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HG23 ' A' ' 7' ' ' THR . 11.2 ttpt -102.28 124.85 48.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -98.51 134.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.383 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.38 -35.92 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.632 -174.132 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' MET . . . -77.13 67.24 2.77 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.231 176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER 85.35 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.813 0.845 . . . . 0.0 110.778 175.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.509 ' OG1' ' HA2' ' A' ' 38' ' ' GLY . 4.9 t -84.57 -20.6 31.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -55.67 161.18 2.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.455 -179.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.58 160.38 9.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.975 -176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m 78.89 -52.67 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.818 0.847 . . . . 0.0 109.908 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -43.56 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 170.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.77 54.63 0.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.409 172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.31 -43.84 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.109 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -64.24 -45.74 86.84 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.531 0.682 . . . . 0.0 109.379 171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.42 -40.74 90.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.615 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -62.33 -39.78 94.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.304 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -51.34 68.27 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.209 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -63.04 -38.17 90.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 42' ' ' LEU . 10.7 mt -66.03 -44.68 83.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.11 -16.44 60.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.707 0.289 . . . . 0.0 111.193 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -10.29 59.28 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.946 0.403 . . . . 0.0 110.516 173.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 81.3 t -82.14 126.06 75.54 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.8 Cg_exo -66.84 127.58 17.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.663 2.242 . . . . 0.0 111.724 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.37 27.38 5.85 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -174.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 44' ' ' ILE . 83.8 t -142.08 120.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -90.0 -46.05 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.785 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 143.96 20.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.901 0.382 . . . . 0.0 111.575 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.62 87.84 2.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.516 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -87.8 74.24 9.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.156 0.503 . . . . 0.0 110.93 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.701 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 2.1 t -72.32 120.89 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.482 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.41 110.45 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -63.1 -44.83 85.41 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.632 -179.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.552 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 77.3 Cg_endo -76.76 14.78 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.753 1.635 . . . . 0.0 112.582 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -133.43 -28.66 1.45 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.912 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.509 ' HA2' ' OG1' ' A' ' 10' ' ' THR . . . 82.01 20.55 62.85 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.924 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 146.95 51.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 0.0 111.322 -174.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.701 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -107.83 105.51 15.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.346 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -78.99 90.97 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.801 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -100.06 112.57 24.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.615 0.721 . . . . 0.0 111.748 -174.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.97 75.41 10.13 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 28' ' ' VAL . 21.8 pt -93.52 155.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.685 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.85 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -72.22 148.83 91.49 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.21 -177.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.85 ' HD2' HG22 ' A' ' 45' ' ' VAL . 55.5 Cg_endo -71.31 52.3 1.51 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.106 2.537 . . . . 0.0 113.1 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.77 -31.21 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.65 118.29 19.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.06 0.457 . . . . 0.0 110.758 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 127.21 92.44 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HB2' HD11 ' A' ' 66' ' ' LEU . 91.6 Cg_exo -49.41 -37.09 40.61 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.303 2.668 . . . . 0.0 113.275 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -57.3 -25.89 60.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.48 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.97 58.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.371 0.605 . . . . 0.0 109.733 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.736 HD21 HG21 ' A' ' 44' ' ' ILE . 6.7 mp -77.12 -45.46 26.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.986 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -47.75 76.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.139 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.7 84.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.154 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.78 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.788 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 53' ' ' LEU . 67.5 t -70.07 -39.09 76.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.206 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.43 93.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.161 0.505 . . . . 0.0 110.663 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.26 -14.17 80.77 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.31 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.66 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 1.3 tp -74.5 -7.72 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 110.767 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.7 -7.35 57.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.684 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.66 ' HD2' ' HB3' ' A' ' 60' ' ' LEU . 51.5 m-85 -99.4 -161.77 0.9 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.62 133.27 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.696 0.284 . . . . 0.0 110.749 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.92 163.75 34.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.17 141.91 32.66 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.058 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.95 HD11 ' HB2' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -65.2 114.74 4.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 177.606 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.69 71.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.827 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 15.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.274 -175.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.059 174.895 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.27 87.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.456 0.646 . . . . 0.0 111.75 -177.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.961 ' HB3' ' HA ' ' A' ' 68' ' ' ASP . 19.8 t60 -105.28 93.45 4.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.23 132.44 43.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -94.39 124.09 38.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -100.26 116.77 44.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.862 0.839 . . . . 0.0 110.227 -176.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -20.43 18.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.806 -170.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.96 -5.77 89.91 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.536 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.568 ' HB3' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -86.37 148.44 25.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.912 0.387 . . . . 0.0 110.671 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -22.5 3.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.332 172.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 176.52 155.44 0.23 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.937 -172.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 13' ' ' SER . 17.0 p-10 21.72 -92.72 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 170.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.83 -42.22 71.65 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -169.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.5 -50.63 66.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 0.0 109.959 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.86 46.55 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.1 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.24 -42.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.797 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -66.04 -31.34 72.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.07 -43.72 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.233 172.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.009 177.098 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.27 -52.77 63.32 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.49 87.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.808 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.747 HD22 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -65.14 -41.92 94.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.922 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' HG11 ' A' ' 28' ' ' VAL . 78.8 mt-10 -74.71 -16.55 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.396 . . . . 0.0 111.115 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -19.85 61.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 173.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 23.6 t -84.5 127.91 63.76 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 17.1 Cg_exo -66.63 149.59 83.98 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.784 2.323 . . . . 0.0 113.081 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -9.18 41.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.045 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 23' ' ' GLU . 55.4 t -77.7 118.63 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.733 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -99.03 -36.39 9.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.113 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.62 147.29 25.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.942 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . . . -142.32 98.45 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.644 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -99.8 85.22 3.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.2 -178.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -83.6 135.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.911 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -114.63 104.69 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.652 179.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -64.8 -50.64 62.57 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.112 -178.258 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 8.6 Cg_exo -73.19 15.16 0.51 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.135 1.89 . . . . 0.0 112.837 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 17.6 mttt -133.98 -24.99 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.27 36.18 59.95 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.062 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.84 153.12 48.32 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.744 -0.268 . . . . 0.0 110.89 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.8 119.39 28.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.581 ' HB2' ' HB2' ' A' ' 32' ' ' LEU . 3.5 mp0 -91.97 91.48 7.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD13 HD22 ' A' ' 53' ' ' LEU . 3.4 mt -99.63 132.23 45.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.455 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.65 81.1 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.456 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.407 ' H ' HG13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.95 140.73 15.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.713 -179.275 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -63.23 146.51 95.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.232 179.05 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' A' ' 45' ' ' VAL . 33.2 Cg_exo -61.36 72.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.063 2.508 . . . . 0.0 111.877 172.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.54 -33.66 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.51 -163.66 0.89 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.156 171.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.62 144.15 16.66 Favored Pre-proline 0 N--CA 1.442 -0.856 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.246 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.2 Cg_endo -58.77 -31.11 94.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.363 2.042 . . . . 0.0 112.639 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -26.44 66.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.999 176.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.97 -34.49 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.254 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.747 HD23 HD22 ' A' ' 22' ' ' LEU . 1.1 mt -74.14 -48.25 30.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.376 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.4 m -55.06 -47.82 74.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.042 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.84 74.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.456 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.85 83.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.085 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 53' ' ' LEU . 47.8 t -70.33 -43.32 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.357 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.58 97.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.512 . . . . 0.0 110.4 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.45 -19.4 78.18 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.648 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.46 -12.92 60.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.994 0.426 . . . . 0.0 111.0 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.88 14.08 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.411 -178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.91 -164.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.63 146.96 38.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.15 151.18 30.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.285 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.48 119.06 13.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.179 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.56 118.37 13.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.018 0.437 . . . . 0.0 110.191 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.45 75.84 1.48 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.961 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 0.5 OUTLIER -75.03 174.72 8.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.881 -173.186 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.837 -177.759 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 121.014 0.435 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 m -68.74 113.45 6.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.421 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.584 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 1.1 p-80 -126.87 102.5 7.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.088 0.47 . . . . 0.0 109.889 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -97.68 155.34 17.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -85.71 134.69 33.95 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 9' ' ' MET . 0.3 OUTLIER -100.25 147.02 8.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.289 0.566 . . . . 0.0 110.825 -176.021 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -144.07 148.49 35.23 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.26 -3.31 56.68 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.954 -1.117 . . . . 0.0 111.659 -175.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.576 ' HG2' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -153.19 146.8 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 17.34 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -169.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 p -176.74 -176.05 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.37 -35.81 80.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.715 -161.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.39 75.38 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -175.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -75.9 -31.38 59.18 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 46.55 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.532 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.8 -43.28 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.529 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.05 -42.62 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.29 0.567 . . . . 0.0 109.665 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.73 -38.86 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.704 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -38.34 87.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.059 176.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.43 -55.21 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.239 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.83 -41.52 74.36 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.085 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.86 -46.26 79.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 28' ' ' VAL . 3.7 mt-10 -76.03 -7.09 53.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.543 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -82.63 -3.98 57.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.385 . . . . 0.0 110.479 172.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.8 t -85.35 127.51 63.37 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.254 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.72 135.41 38.44 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.514 2.143 . . . . 0.0 112.077 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.84 -6.19 35.09 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -87.64 162.94 2.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.38 -0.41 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -133.62 -49.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.804 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.85 131.14 11.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.469 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -110.5 106.14 15.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.627 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 1.1 mt -101.57 79.08 1.91 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 110.32 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.15 103.71 14.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.971 -178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.612 ' CD2' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.42 -44.62 88.3 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 45.0 Cg_exo -57.83 -42.24 61.14 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 121.742 1.628 . . . . 0.0 112.403 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.18 -36.2 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.01 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.49 39.27 7.83 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.54 138.34 53.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.16 96.4 6.5 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.018 175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -86.17 99.49 11.56 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.016 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -106.57 114.19 28.15 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.342 0.592 . . . . 0.0 111.633 -173.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.96 85.16 7.24 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.166 -0.924 . . . . 0.0 108.669 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.496 ' HB ' ' H ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -92.04 -154.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.785 177.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' H ' ' HB ' ' A' ' 44' ' ' ILE . 77.7 t -159.24 133.37 5.18 Favored Pre-proline 0 N--CA 1.465 0.291 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -38.47 104.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.865 3.044 . . . . 0.0 113.299 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.16 -7.78 0.65 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -143.68 101.28 3.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.738 -0.731 . . . . 0.0 109.03 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.37 151.71 96.88 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.202 -174.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.675 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.6 Cg_exo -59.55 -28.19 86.83 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.063 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.38 -28.27 68.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.958 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.27 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.906 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.6 mt -72.98 -45.29 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.483 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.0 m -57.84 -43.24 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.006 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.37 80.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.122 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.6 89.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.591 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 53' ' ' LEU . 61.5 t -69.47 -40.77 80.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.154 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.76 -43.21 99.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.178 0.513 . . . . 0.0 110.015 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.85 -11.92 85.02 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.481 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.51 -7.59 53.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 175.067 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.01 3.7 51.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.639 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 55.9 m-85 -120.27 -164.42 1.09 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -133.16 149.51 52.06 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.744 0.306 . . . . 0.0 110.611 -178.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.25 166.13 32.73 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.164 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.28 136.94 16.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.399 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 68' ' ' ASP . 13.4 tp -68.15 97.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.104 0.478 . . . . 0.0 111.106 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -96.0 37.99 1.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.61 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.584 ' HA ' ' CD2' ' A' ' 3' ' ' HIS . 7.6 t0 -61.48 -44.73 96.56 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.348 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.473 175.506 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.5 ' H ' ' HB3' ' A' ' 1' ' ' MET . 6.6 m -71.9 113.88 9.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.002 0.429 . . . . 0.0 110.408 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -139.06 163.84 31.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -110.65 154.9 23.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 124.97 46.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 174.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG21 ' OG1' ' A' ' 10' ' ' THR . 1.3 tp -81.38 151.15 4.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.136 0.493 . . . . 0.0 110.959 -175.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.89 -30.05 0.82 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.573 176.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.23 45.7 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.93 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 70.8 150.42 0.09 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.102 0.954 . . . . 0.0 113.265 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.579 ' OG1' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -159.9 -144.64 0.11 Allowed 'General case' 0 N--CA 1.415 -2.197 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 151.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.748 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 31.9 p 146.4 -119.68 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 126.321 1.849 . . . . 0.0 107.47 166.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -82.43 143.38 31.21 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.498 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 m 71.39 -54.02 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.4 m -59.56 -42.48 92.51 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.32 56.38 1.34 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.34 0.59 . . . . 0.0 110.816 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.18 -39.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.72 -34.58 78.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 14' ' ' CYS . 40.7 t -64.46 -40.96 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.61 174.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.717 176.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.57 -47.55 85.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.171 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.65 60.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.409 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.2 -12.08 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.46 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -74.31 -27.26 60.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.003 0.43 . . . . 0.0 109.858 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.32 127.01 82.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.945 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.89 148.99 77.64 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.085 1.857 . . . . 0.0 111.287 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 29.57 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.433 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 44' ' ' ILE . 23.4 t -141.75 160.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.6 mm-40 -131.42 -46.11 0.99 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.956 -176.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -155.78 134.04 11.54 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 111.278 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.92 124.01 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 0.0 110.254 173.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.74 88.71 2.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 109.976 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.08 135.29 25.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.86 -175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.62 91.92 4.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.748 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -57.48 -55.34 45.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD3' ' HD1' ' A' ' 35' ' ' TYR . 13.0 Cg_exo -71.15 -15.58 31.94 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.054 1.836 . . . . 0.0 112.806 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -28.88 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.697 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.49 33.11 20.53 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.33 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.24 150.09 45.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.747 0.308 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.13 93.45 3.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.529 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 130.91 40.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 HD22 ' A' ' 53' ' ' LEU . 3.7 mt -123.73 122.28 37.67 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.888 -173.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.13 75.7 6.19 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 28' ' ' VAL . 2.0 pt -90.36 165.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.534 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 1.2 t -75.43 139.84 71.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.944 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 37.8 Cg_exo -61.26 97.14 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.763 2.308 . . . . 0.0 111.823 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.13 -38.42 0.9 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.96 126.71 29.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.147 0.499 . . . . 0.0 110.836 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.76 131.81 81.42 Favored Pre-proline 0 N--CA 1.443 -0.816 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.37 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HA ' HD12 ' A' ' 53' ' ' LEU . 20.7 Cg_endo -61.72 -27.35 80.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.493 2.128 . . . . 0.0 112.026 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -21.89 66.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.657 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.2 -37.73 61.05 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 109.843 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 50' ' ' PRO . 1.1 mt -73.67 -43.8 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.439 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 m -60.33 -41.16 92.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.455 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.11 -37.8 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' LEU . . . -63.62 -41.31 98.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.446 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 62' ' ' TYR . 62.3 t -69.26 -45.47 79.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.269 177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -60.71 -40.72 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.435 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.57 -17.53 75.45 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.604 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.64 -38.41 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.734 0.302 . . . . 0.0 110.785 179.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.32 4.41 0.93 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.868 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -122.22 168.28 12.2 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.401 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.28 126.35 50.36 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.324 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -142.44 158.11 44.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 137.66 54.86 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.935 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 144.16 42.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.286 0.565 . . . . 0.0 111.329 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.68 101.41 3.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.923 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -83.29 145.96 28.8 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.408 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 O-C-N 124.253 0.971 . . . . 0.0 111.666 -178.629 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.11 35.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 111.657 -173.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.07 118.24 36.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.812 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.719 ' HA ' ' H ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER -115.9 160.16 20.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.924 0.392 . . . . 0.0 110.25 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -116.67 124.02 48.7 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.734 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -89.15 123.97 41.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.368 0.604 . . . . 0.0 109.4 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -28.86 12.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.639 -169.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.5 18.93 46.66 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.658 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.544 ' HB3' HG12 ' A' ' 6' ' ' ILE . 2.8 ttp -160.94 107.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.949 0.404 . . . . 0.0 111.323 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.73 -12.9 15.72 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.603 0.716 . . . . 0.0 109.63 170.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -64.74 171.88 3.11 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 177.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HA ' ' CD1' ' A' ' 35' ' ' TYR . 10.6 t70 -86.14 -75.2 0.39 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 113.509 -1.678 . . . . 0.0 113.137 -166.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -23.31 63.75 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -168.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.66 -36.0 82.86 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.146 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . . . -76.44 52.07 0.76 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.493 0.664 . . . . 0.0 110.786 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.19 -42.19 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.827 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -71.77 -36.74 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.92 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.14 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -39.44 94.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.822 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -46.39 90.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.38 83.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.034 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.17 -48.36 70.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.581 175.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.16 -17.97 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.705 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -16.12 61.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 79.4 t -81.16 124.87 80.61 Favored Pre-proline 0 N--CA 1.451 -0.406 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 5.2 Cg_exo -73.87 78.81 2.42 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.751 2.3 . . . . 0.0 112.501 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.31 41.5 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.877 HG22 HG22 ' A' ' 44' ' ' ILE . 14.0 t -144.96 119.42 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.573 . . . . 0.0 109.688 -170.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -105.39 -31.38 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.332 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.639 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 60.9 m -154.03 149.58 27.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.807 0.336 . . . . 0.0 110.883 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.87 3.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.759 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 4.6 mp -99.94 84.61 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.414 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 12.7 t -97.32 118.71 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.885 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -101.36 115.71 31.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.753 ' HB3' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -64.76 -55.89 25.36 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.394 -177.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.716 ' HD3' ' HD2' ' A' ' 35' ' ' TYR . 70.6 Cg_endo -73.25 9.17 1.52 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 121.893 1.729 . . . . 0.0 113.585 -171.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.78 -8.15 3.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 110.21 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.69 32.69 79.59 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.111 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 136.05 50.49 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.227 -0.572 . . . . 0.0 111.354 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . . . -115.9 128.26 55.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.819 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -108.42 105.22 14.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.639 176.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 4' ' ' LEU . 1.1 mt -103.02 127.45 50.26 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.263 0.554 . . . . 0.0 111.395 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 30' ' ' SER . . . -103.02 81.46 1.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.877 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pp -99.93 163.54 2.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.412 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -76.08 138.77 68.72 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' VAL . 16.6 Cg_exo -69.34 42.64 0.32 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.006 2.471 . . . . 0.0 113.857 -175.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -120.19 -28.91 1.73 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.19 117.82 24.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.386 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.31 140.07 96.6 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.063 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.54 -32.94 94.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.124 1.883 . . . . 0.0 111.769 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -24.34 64.32 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.259 175.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.0 -35.08 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.239 0.542 . . . . 0.0 109.926 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD22 HD13 ' A' ' 42' ' ' LEU . 1.5 mt -72.95 -41.91 63.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.274 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.6 m -58.0 -42.13 84.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.934 173.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.1 82.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.902 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.56 93.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.31 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.6 t -69.07 -41.08 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.094 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -62.74 -43.5 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.271 0.558 . . . . 0.0 110.21 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.06 -18.43 79.16 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.546 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -74.59 -1.85 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 176.251 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.79 7.37 58.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.934 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 98.0 m-85 -113.45 -175.03 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -131.43 128.08 38.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.496 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.59 161.97 37.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.968 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.38 146.0 37.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.997 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.18 103.17 3.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.129 0.49 . . . . 0.0 110.278 178.695 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.719 ' H ' ' HA ' ' A' ' 4' ' ' LEU . . . -93.11 52.82 1.86 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -177.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.79 123.46 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.463 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.97 -178.521 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.635 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 1.4 mtm . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.76 15.88 4.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.156 0.503 . . . . 0.0 111.111 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 21.7 m-70 -138.62 128.55 25.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.05 142.47 49.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 169.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 140.07 45.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.089 0.471 . . . . 0.0 111.661 -173.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.7 119.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -18.47 21.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.059 0.457 . . . . 0.0 110.97 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.34 7.88 47.7 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.957 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.22 160.65 1.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.012 0.406 . . . . 0.0 111.769 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.785 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -90.71 -114.81 0.08 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 158.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.785 ' HB2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 146.23 -165.25 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 146.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.56 ' HA ' ' CD2' ' A' ' 35' ' ' TYR . 16.5 t70 -135.49 -110.33 0.21 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 112.442 -2.163 . . . . 0.0 105.469 155.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 16.28 -76.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 153.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.56 -52.58 59.28 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.863 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' HB1' ' HB ' ' A' ' 33' ' ' VAL . . . -76.31 53.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.644 0.735 . . . . 0.0 110.545 178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.89 -47.59 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.172 174.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -70.1 -38.27 75.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.58 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -68.63 -40.89 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.353 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -59.68 -42.25 92.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.146 176.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.42 -51.89 63.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.461 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.67 92.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 111.0 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 53' ' ' LEU . 9.7 mt -65.88 -46.01 79.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HA ' HG11 ' A' ' 28' ' ' VAL . 70.0 mt-10 -70.05 -18.03 63.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.86 -15.15 60.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 173.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 72.7 t -79.38 132.13 63.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.066 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 18.0 Cg_exo -66.48 135.35 38.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.636 2.224 . . . . 0.0 111.871 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.9 -5.64 42.97 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 23' ' ' GLU . 98.1 t -96.53 156.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -48.58 0.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.556 0.217 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.1 125.2 7.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.229 -0.295 . . . . 0.0 110.41 177.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' HG2' ' A' ' 19' ' ' LYS . . . -106.28 122.5 46.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.823 0.344 . . . . 0.0 110.752 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.08 88.29 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.353 0.597 . . . . 0.0 109.588 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.726 ' HB ' ' HB1' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -84.62 145.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.881 -176.428 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.16 83.02 2.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.72 ' HB2' ' O ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -58.02 -43.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.689 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 47.1 Cg_exo -57.14 -33.44 95.86 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 121.775 1.65 . . . . 0.0 112.549 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -16.57 21.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.999 178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.21 40.7 28.41 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.55 161.5 35.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.711 0.291 . . . . 0.0 110.751 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.27 124.16 25.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.474 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -101.64 99.36 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -103.51 119.76 39.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.063 0.458 . . . . 0.0 111.442 -174.391 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.12 81.73 7.32 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG22 HG22 ' A' ' 28' ' ' VAL . 1.1 pt -84.1 152.86 3.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.459 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -75.43 133.94 73.8 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.299 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.38 116.59 2.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.704 2.269 . . . . 0.0 111.37 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.44 -34.54 2.04 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -81.42 -172.86 4.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -150.3 142.15 15.4 Favored Pre-proline 0 C--N 1.315 -0.892 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.429 -174.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 53' ' ' LEU . 33.2 Cg_exo -61.01 -27.23 84.42 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -176.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -26.43 68.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.259 177.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.13 60.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.592 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 22' ' ' LEU . 1.3 mp -80.91 -46.29 15.44 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 109.965 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -52.22 -41.52 62.79 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' VAL . . . -66.03 -51.01 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.586 172.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.43 21.39 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 92.2 t -143.62 -40.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.069 169.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -66.53 -41.02 89.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.547 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.6 -16.07 79.85 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.021 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.54 -13.04 60.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.062 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.68 10.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.732 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.6 m-85 -98.04 166.96 11.18 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -107.77 124.42 50.01 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.55 142.68 33.52 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.29 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.69 133.4 48.17 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.008 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -66.98 107.49 2.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.85 94.28 2.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.635 ' HB2' ' HG2' ' A' ' 1' ' ' MET . 14.1 t0 -71.44 147.54 47.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.411 -174.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.44 -177.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_